#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 0.12 -4.77 1.61 2.88 -1.26 -5.13 113.62 107.08 2roh n SER 2 Ca 0.00 -2.75 -0.37 0.00 -1.33 0.00 0.00 58.87 54.42 2roh n SER 2 Cb 0.00 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 62.91 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 -1.24 3.73 -0.02 -1.46 0.04 -1.26 -5.06 135.00 129.74 2roh s PRO 3 Ca 0.35 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.21 2roh s PRO 3 Cb 0.19 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2roh s PRO 3 CO -0.11 -0.57 -0.17 -0.06 0.04 0.00 0.00 177.00 176.13 2roh s PHE 4 N -1.56 1.54 -0.30 0.56 0.08 -1.26 -5.12 117.98 111.92 2roh s PHE 4 Ca 0.64 -0.34 -0.13 0.00 0.12 0.00 0.00 56.93 57.22 2roh s PHE 4 Cb -0.28 -1.01 0.14 0.00 -0.57 0.00 0.00 43.02 41.30 2roh s PHE 4 CO 0.34 -0.07 0.83 0.00 -0.10 0.00 0.00 175.22 176.22 2roh s ALA 5 N -0.24 -2.35 0.26 5.36 0.00 -1.26 -5.17 121.76 118.35 2roh s ALA 5 Ca 0.03 2.21 0.06 0.00 0.00 0.00 0.00 51.96 54.26 2roh s ALA 5 Cb -0.08 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2roh s ALA 5 CO 0.00 -0.87 0.28 -0.51 0.00 0.00 0.00 175.76 174.67 2roh s ASP 6 N 2.52 5.86 0.26 0.00 1.01 -1.26 -5.09 116.67 119.98 2roh s ASP 6 Ca -0.05 -0.13 -0.29 0.00 0.71 0.00 0.00 52.55 52.79 2roh s ASP 6 Cb -0.08 -1.56 -0.09 0.00 1.01 0.00 0.00 42.92 42.19 2roh s ASP 6 CO -0.18 -0.09 1.26 -2.16 0.21 0.00 0.00 175.17 174.21 2roh s PRO 7 N -3.92 4.43 -0.01 8.23 0.04 -1.26 -5.04 135.00 137.47 2roh s PRO 7 Ca 0.34 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.51 2roh s PRO 7 Cb -0.08 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 2roh s PRO 7 CO 0.27 -0.13 -0.24 0.54 0.04 0.00 0.00 177.00 177.48 2roh s ASN 8 N -0.22 2.82 0.31 6.66 2.20 -1.26 -5.13 114.94 120.32 2roh s ASN 8 Ca 0.51 -0.45 -0.14 0.00 -0.94 0.00 0.00 52.86 51.85 2roh s ASN 8 Cb -0.37 -0.31 0.02 0.00 -2.00 0.00 0.00 41.25 38.60 2roh s ASN 8 CO 0.44 0.29 0.62 -0.94 -2.94 0.00 0.00 177.10 174.57 2roh s SER 9 N -0.64 0.07 -0.07 3.54 1.04 -1.26 -5.18 113.70 111.20 2roh s SER 9 Ca 0.09 -1.00 -0.15 0.00 0.48 0.00 0.00 55.95 55.37 2roh s SER 9 Cb -0.09 0.71 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2roh s SER 9 CO -0.01 -1.36 0.35 -0.76 0.98 0.00 0.00 173.24 172.44 2roh s LEU 10 N -3.05 0.67 -0.01 2.42 1.43 -1.26 -5.16 118.68 113.72 2roh s LEU 10 Ca 0.19 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 2roh s LEU 10 Cb -0.03 1.32 0.01 0.00 0.03 0.00 0.00 46.19 47.52 2roh s LEU 10 CO 0.11 -0.32 -0.01 0.00 0.23 0.00 0.00 176.35 176.37 2roh s ALA 11 N -0.66 0.19 -0.19 4.21 0.00 -1.26 -5.15 121.76 118.91 2roh s ALA 11 Ca -0.08 0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 2roh s ALA 11 Cb -0.04 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.98 2roh s ALA 11 CO 0.03 -0.01 0.51 -1.17 0.00 0.00 0.00 175.76 175.11 2roh s LEU 12 N 0.44 -0.00 -0.18 0.00 2.96 -1.26 -5.17 118.68 115.47 2roh s LEU 12 Ca -0.04 1.03 -0.28 0.00 -0.22 0.00 0.00 54.13 54.63 2roh s LEU 12 Cb -0.06 1.74 0.08 0.00 0.50 0.00 0.00 46.19 48.44 2roh s LEU 12 CO -0.01 -0.18 0.77 0.00 -1.32 0.00 0.00 176.35 175.61 2roh s ALA 13 N 0.43 -1.81 -0.05 5.97 0.00 -1.26 -5.16 121.76 119.88 2roh s ALA 13 Ca -0.01 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2roh s ALA 13 Cb -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.39 2roh s ALA 13 CO -0.01 -0.34 -0.02 -0.80 0.00 0.00 0.00 175.76 174.59 2roh s ASN 14 N -0.39 1.06 0.66 0.00 0.01 -1.26 -5.14 114.94 109.88 2roh s ASN 14 Ca -0.04 -0.09 -0.15 0.00 -0.71 0.00 0.00 52.86 51.87 2roh s ASN 14 Cb -0.03 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.24 2roh s ASN 14 CO 0.04 -0.12 1.13 0.68 -1.51 0.00 0.00 177.10 177.33 2roh s VAL 15 N 1.32 3.02 1.10 1.60 -7.23 -1.26 -5.03 120.40 113.93 2roh s VAL 15 Ca -0.05 0.50 -0.16 0.00 -1.81 0.00 0.00 61.98 60.46 2roh s VAL 15 Cb -0.13 -3.03 0.24 0.00 0.56 0.00 0.00 36.38 34.01 2roh s VAL 15 CO -0.02 -0.27 1.10 -2.16 -0.31 0.00 0.00 175.10 173.44 2roh s PRO 16 N -3.96 -0.42 0.37 4.82 0.04 -1.26 -5.08 135.00 129.51 2roh s PRO 16 Ca 0.69 0.22 0.08 0.00 0.04 0.00 0.00 61.00 62.03 2roh s PRO 16 Cb -0.23 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2roh s PRO 16 CO 0.41 -3.24 0.31 -0.48 0.04 0.00 0.00 177.00 174.04 2roh s LEU 17 N -6.71 3.46 0.14 -3.56 0.05 -1.26 -5.14 118.68 105.65 2roh s LEU 17 Ca 0.68 -0.65 -0.11 0.00 0.05 0.00 0.00 54.13 54.09 2roh s LEU 17 Cb -0.14 -2.07 0.01 0.00 -2.05 0.00 0.00 46.19 41.93 2roh s LEU 17 CO 0.57 -0.49 0.31 -0.44 -0.55 0.00 0.00 176.35 175.75 2roh s SER 18 N -4.04 -0.02 -0.13 1.48 0.01 -1.26 -5.17 113.70 104.56 2roh s SER 18 Ca 0.44 -0.67 -0.12 0.00 1.31 0.00 0.00 55.95 56.91 2roh s SER 18 Cb -0.04 0.44 0.04 0.00 0.21 0.00 0.00 66.02 66.66 2roh s SER 18 CO 0.27 -0.87 0.35 -0.13 0.41 0.00 0.00 173.24 173.27 2roh s ARG 19 N -3.90 0.40 -0.25 12.44 0.52 -1.26 -5.14 118.95 121.77 2roh s ARG 19 Ca 0.10 0.51 -0.01 0.00 -0.52 0.00 0.00 55.73 55.81 2roh s ARG 19 Cb 0.03 0.18 0.08 0.00 0.52 0.00 0.00 34.95 35.75 2roh s ARG 19 CO -0.05 -0.06 0.04 -1.54 0.02 0.00 0.00 175.30 173.71 2roh s SER 20 N 0.29 3.51 -0.25 0.23 1.04 -1.26 -5.11 113.70 112.15 2roh s SER 20 Ca -0.01 -1.20 -0.08 0.00 0.48 0.00 0.00 55.95 55.14 2roh s SER 20 Cb -0.03 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 2roh s SER 20 CO -0.01 -0.34 0.08 -0.75 0.98 0.00 0.00 173.24 173.21 2roh s LYS 21 N 1.68 3.69 -0.13 4.02 2.20 -1.26 -5.09 119.74 124.86 2roh s LYS 21 Ca 0.02 -0.46 -0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2roh s LYS 21 Cb -0.17 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2roh s LYS 21 CO -0.14 -0.16 0.08 0.50 -0.36 0.00 0.00 175.35 175.27 2roh s ARG 22 N 1.55 3.44 1.13 4.03 3.52 -1.26 -5.11 118.95 126.26 2roh s ARG 22 Ca 0.06 -0.26 -0.17 0.00 -0.13 0.00 0.00 55.73 55.23 2roh s ARG 22 Cb -0.15 -3.08 0.25 0.00 -1.56 0.00 0.00 34.95 30.41 2roh s ARG 22 CO 0.04 0.64 1.10 -1.25 -0.81 0.00 0.00 175.30 175.02 2roh s PRO 23 N -0.65 -0.66 0.02 5.12 0.04 -1.26 -5.08 135.00 132.54 2roh s PRO 23 Ca 0.12 0.14 0.06 0.00 0.04 0.00 0.00 61.00 61.36 2roh s PRO 23 Cb -0.12 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2roh s PRO 23 CO 0.02 -3.38 -0.19 -0.51 0.04 0.00 0.00 177.00 172.99 2roh s ASP 24 N -3.72 2.24 0.37 6.66 1.01 -1.26 -5.15 116.67 116.82 2roh s ASP 24 Ca 0.69 -0.45 0.08 0.00 0.71 0.00 0.00 52.55 53.58 2roh s ASP 24 Cb -0.13 -0.20 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 2roh s ASP 24 CO 0.57 0.16 0.30 -0.36 0.21 0.00 0.00 175.17 176.05 2roh s PHE 25 N -0.69 2.78 -2.99 4.23 0.40 -1.26 -5.11 117.98 115.34 2roh s PHE 25 Ca 0.06 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2roh s PHE 25 Cb -0.08 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.51 2roh s PHE 25 CO 0.01 0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.42 2roh n GLY 26 N -1.40 -1.13 3.98 4.36 0.00 -1.26 -5.16 105.19 104.58 2roh n GLY 26 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 2roh n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2roh s GLN 27 N -1.20 3.01 -0.29 1.61 -0.21 -1.26 -5.09 119.66 116.23 2roh s GLN 27 Ca 0.00 -1.10 -0.10 0.00 0.02 0.00 0.00 55.36 54.18 2roh s GLN 27 Cb 0.00 -2.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.21 2roh s GLN 27 CO 0.00 -0.02 0.15 1.03 -2.12 0.00 0.00 175.29 174.33 2roh s ARG 28 N -4.20 3.55 0.78 2.91 3.00 -1.26 -5.08 118.95 118.65 2roh s ARG 28 Ca 0.47 -0.57 -0.13 0.00 0.00 0.00 0.00 55.73 55.50 2roh s ARG 28 Cb -0.09 -3.56 0.07 0.00 0.00 0.00 0.00 34.95 31.36 2roh s ARG 28 CO 0.31 -0.32 1.16 1.03 0.00 0.00 0.00 175.30 177.48 2roh s ARG 29 N 1.66 1.90 -0.16 3.54 0.52 -1.26 -4.82 118.95 120.33 2roh s ARG 29 Ca 0.06 1.55 0.01 0.00 -0.52 0.00 0.00 55.73 56.83 2roh s ARG 29 Cb -0.16 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.50 2roh s ARG 29 CO 0.07 -1.97 -0.19 0.42 0.02 0.00 0.00 175.30 173.65 2roh s ILE 30 N -2.39 1.91 0.00 1.52 -1.09 -1.26 -4.59 121.20 115.30 2roh s ILE 30 Ca 0.69 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 2roh s ILE 30 Cb -0.24 -1.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 2roh s ILE 30 CO 0.50 0.52 0.00 0.54 -1.23 0.00 0.00 174.94 175.27 2roh n ARG 31 N 4.48 0.00 -4.37 2.79 5.12 -1.26 -5.02 116.66 118.40 2roh n ARG 31 Ca -0.20 0.17 -0.23 0.00 -1.93 0.00 0.00 57.85 55.66 2roh n ARG 31 Cb 0.50 -0.60 -0.08 0.00 -1.16 0.00 0.00 32.46 31.12 2roh n ARG 31 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2roh s ARG 32 N -0.46 2.03 -0.92 5.56 0.52 -1.26 -5.03 118.95 119.39 2roh s ARG 32 Ca 0.00 -1.58 -0.23 0.00 -0.52 0.00 0.00 55.73 53.40 2roh s ARG 32 Cb 0.00 -1.98 -0.14 0.00 0.52 0.00 0.00 34.95 33.35 2roh s ARG 32 CO 0.00 0.34 1.92 -0.35 0.02 0.00 0.00 175.30 177.22 2roh n PRO 33 N -0.78 1.48 -4.64 3.54 -0.04 -1.26 -4.88 135.00 128.41 2roh n PRO 33 Ca -0.06 -2.07 -0.33 0.00 -0.04 0.00 0.00 63.50 61.00 2roh n PRO 33 Cb 0.60 -3.25 -0.15 0.00 -0.04 0.00 0.00 33.50 30.66 2roh n PRO 33 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2roh s PHE 34 N 7.66 2.75 0.35 0.54 0.40 -1.26 -5.05 117.98 123.38 2roh s PHE 34 Ca 0.63 -1.03 0.09 0.00 -0.60 0.00 0.00 56.93 56.01 2roh s PHE 34 Cb 0.08 -1.86 -0.06 0.00 0.51 0.00 0.00 43.02 41.69 2roh s PHE 34 CO 0.14 -0.46 -0.05 -0.08 0.70 0.00 0.00 175.22 175.47 2roh s THR 35 N 0.72 2.32 0.37 0.64 -1.32 -1.26 -4.94 115.64 112.16 2roh s THR 35 Ca -0.07 -2.11 0.15 0.00 -1.21 0.00 0.00 61.69 58.45 2roh s THR 35 Cb -0.16 -2.74 0.36 0.00 -1.51 0.00 0.00 72.50 68.46 2roh s THR 35 CO 0.01 -0.17 1.78 1.62 -2.21 0.00 0.00 174.62 175.65 2roh h VAL 36 N 1.92 0.58 0.05 5.08 3.04 -1.98 0.30 116.25 125.24 2roh h VAL 36 Ca -0.42 -0.17 -0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2roh h VAL 36 Cb 1.25 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2roh h VAL 36 CO 0.71 0.09 -0.02 0.00 -1.01 0.00 0.00 177.57 177.33 2roh h ALA 37 N 1.64 -0.07 -0.01 3.17 0.00 -1.99 -1.01 119.26 121.00 2roh h ALA 37 Ca 0.58 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2roh h ALA 37 Cb 1.31 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2roh h ALA 37 CO -0.32 -0.33 0.00 0.93 0.00 0.00 0.00 179.25 179.53 2roh h GLU 38 N -0.48 0.01 -0.66 0.00 5.08 -1.58 -2.21 114.58 114.74 2roh h GLU 38 Ca -0.01 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2roh h GLU 38 Cb 0.43 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2roh h GLU 38 CO 0.01 0.09 0.44 0.28 -1.00 0.00 0.00 179.01 178.83 2roh h VAL 39 N -0.07 1.16 0.20 3.13 2.07 -0.54 -1.80 116.25 120.39 2roh h VAL 39 Ca 0.00 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2roh h VAL 39 Cb 0.08 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2roh h VAL 39 CO -0.00 0.16 -0.10 -0.33 0.02 0.00 0.00 177.57 177.32 2roh h GLU 40 N 0.88 -0.26 -1.00 1.57 5.08 -0.86 -2.00 114.58 117.99 2roh h GLU 40 Ca 0.24 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2roh h GLU 40 Cb -0.08 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2roh h GLU 40 CO -0.06 -0.12 0.66 -0.07 -1.00 0.00 0.00 179.01 178.43 2roh h LEU 41 N -0.34 1.13 0.25 1.33 3.38 -1.11 -2.17 115.31 117.78 2roh h LEU 41 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2roh h LEU 41 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2roh h LEU 41 CO 0.05 0.80 -0.23 0.25 0.09 0.00 0.00 178.44 179.39 2roh h LEU 42 N 1.32 -0.61 -0.68 1.67 5.85 -1.12 -0.67 115.31 121.07 2roh h LEU 42 Ca 0.38 0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.24 2roh h LEU 42 Cb -0.09 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 2roh h LEU 42 CO -0.10 -0.34 0.35 0.58 -0.34 0.00 0.00 178.44 178.58 2roh h VAL 43 N -0.51 0.88 -0.18 1.05 2.07 -1.12 -0.50 116.25 117.94 2roh h VAL 43 Ca -0.01 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2roh h VAL 43 Cb 0.46 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2roh h VAL 43 CO -0.04 0.11 -0.01 -0.08 0.02 0.00 0.00 177.57 177.57 2roh h GLU 44 N 0.61 0.26 0.08 1.57 4.57 -1.05 0.40 114.58 121.03 2roh h GLU 44 Ca 0.33 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2roh h GLU 44 Cb 0.31 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2roh h GLU 44 CO -0.24 0.29 -0.04 0.00 -1.18 0.00 0.00 179.01 177.84 2roh h ALA 45 N 1.74 -0.11 0.00 2.92 0.00 0.48 0.31 119.26 124.60 2roh h ALA 45 Ca 0.06 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2roh h ALA 45 Cb 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2roh h ALA 45 CO 0.00 -0.50 -0.89 -0.24 0.00 0.00 0.00 179.25 177.62 2roh h VAL 46 N -0.24 1.63 -0.11 0.00 3.04 -1.23 -3.31 116.25 116.03 2roh h VAL 46 Ca -0.01 -3.07 -0.06 0.00 -1.01 0.00 0.00 66.70 62.55 2roh h VAL 46 Cb 0.20 2.66 -0.00 0.00 -2.01 0.00 0.00 31.29 32.14 2roh h VAL 46 CO 0.02 0.87 -0.16 -0.08 -1.01 0.00 0.00 177.57 177.21 2roh h GLU 47 N 0.00 0.31 -0.58 4.17 4.81 -0.11 0.34 114.58 123.51 2roh h GLU 47 Ca -0.01 -0.18 0.17 0.00 -0.13 0.00 0.00 59.36 59.21 2roh h GLU 47 Cb 1.59 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 2roh h GLU 47 CO 0.12 0.76 0.57 1.25 -0.73 0.00 0.00 179.01 180.97 2roh h HIS 48 N -0.10 0.00 0.00 0.92 2.76 -0.46 0.26 115.15 118.52 2roh h HIS 48 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2roh h HIS 48 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.68 2roh h HIS 48 CO 0.10 0.00 -1.19 1.28 -1.30 0.00 0.00 177.93 176.81 2roh n LEU 49 N -3.77 0.30 -2.98 0.26 4.77 -1.14 -5.06 117.00 109.38 2roh n LEU 49 Ca 0.11 -0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 55.76 2roh n LEU 49 Cb 0.79 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.90 2roh n LEU 49 CO 0.29 0.08 -0.23 0.61 -1.33 0.00 0.00 177.39 176.81 2roh n GLY 50 N 1.52 -1.72 3.54 -0.72 0.00 0.12 -4.06 105.19 103.87 2roh n GLY 50 Ca -0.00 0.88 -0.16 0.00 0.00 0.00 0.00 46.02 46.74 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 0.19 -5.74 -2.16 2.61 -2.24 -1.17 -4.99 114.28 100.77 2roh n THR 51 Ca 0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2roh n THR 51 Cb 0.38 -4.34 0.00 0.00 -2.10 0.00 0.00 70.33 64.27 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2roh n GLY 52 N -1.69 5.46 3.73 3.38 0.00 -1.26 -5.11 105.19 109.70 2roh n GLY 52 Ca -0.21 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 1.84 4.35 0.36 1.61 0.52 -1.26 -4.91 118.95 121.45 2roh s ARG 53 Ca 0.00 2.09 0.05 0.00 -0.52 0.00 0.00 55.73 57.35 2roh s ARG 53 Cb 0.00 -3.20 0.67 0.00 0.52 0.00 0.00 34.95 32.95 2roh s ARG 53 CO 0.00 -0.32 1.94 -1.49 0.02 0.00 0.00 175.30 175.44 2roh h TRP 54 N 5.72 0.57 -0.58 -0.53 6.55 -1.99 -2.63 115.95 123.06 2roh h TRP 54 Ca -0.44 -0.03 0.07 0.00 0.95 0.00 0.00 58.89 59.44 2roh h TRP 54 Cb 1.21 -0.18 -0.06 0.00 -0.86 0.00 0.00 29.16 29.28 2roh h TRP 54 CO 0.63 0.48 0.26 0.07 -1.05 0.00 0.00 178.44 178.82 2roh h ARG 55 N 0.56 0.46 -0.08 0.49 0.11 -1.91 -0.84 114.38 113.17 2roh h ARG 55 Ca 0.13 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 60.11 2roh h ARG 55 Cb 0.17 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 2roh h ARG 55 CO -0.01 0.31 -0.30 0.22 0.10 0.00 0.00 179.97 180.29 2roh h ASP 56 N 0.48 0.15 0.15 0.08 1.82 -1.87 -2.03 116.42 115.20 2roh h ASP 56 Ca 0.28 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.86 2roh h ASP 56 Cb 0.26 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.23 2roh h ASP 56 CO -0.23 0.45 -0.07 0.58 -1.61 0.00 0.00 179.24 178.36 2roh h VAL 57 N 0.14 0.87 -0.42 2.25 2.07 -0.97 0.30 116.25 120.49 2roh h VAL 57 Ca 0.02 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 2roh h VAL 57 Cb 0.60 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2roh h VAL 57 CO 0.04 0.02 -0.05 0.50 0.02 0.00 0.00 177.57 178.10 2roh h LYS 58 N -0.23 0.77 -0.50 1.57 3.11 -1.35 0.36 116.57 120.30 2roh h LYS 58 Ca -0.02 -0.27 -0.02 0.00 -2.81 0.00 0.00 60.65 57.54 2roh h LYS 58 Cb 0.18 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 2roh h LYS 58 CO 0.03 0.87 0.25 0.35 -2.81 0.00 0.00 179.45 178.14 2roh h PHE 59 N 0.59 0.71 -0.05 1.91 3.04 -1.25 -2.45 116.94 119.44 2roh h PHE 59 Ca 0.11 -0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.82 2roh h PHE 59 Cb 0.55 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.84 2roh h PHE 59 CO 0.04 0.55 -0.84 -0.09 -2.02 0.00 0.00 178.31 175.95 2roh h ARG 60 N 0.66 0.46 0.00 1.11 9.65 -0.33 -3.37 114.38 122.56 2roh h ARG 60 Ca 0.17 -0.43 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2roh h ARG 60 Cb 0.10 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2roh h ARG 60 CO -0.02 1.07 0.00 0.00 2.80 0.00 0.00 179.97 183.82 2roh n ALA 61 N -2.54 -0.10 0.00 2.80 0.00 0.13 -4.85 120.51 115.94 2roh n ALA 61 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2roh n ALA 61 Cb 0.78 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.37 2roh n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2roh n PHE 62 N -1.33 -0.10 -3.85 0.00 7.35 -1.10 -5.00 117.46 113.43 2roh n PHE 62 Ca 0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 2roh n PHE 62 Cb 0.00 0.08 0.03 0.00 0.35 0.00 0.00 39.48 39.95 2roh n PHE 62 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2roh n GLU 63 N -1.66 -5.86 0.00 -4.13 2.13 -0.94 -4.71 120.64 105.47 2roh n GLU 63 Ca 0.00 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2roh n GLU 63 Cb 0.00 -5.53 0.00 0.00 0.27 0.00 0.00 31.44 26.18 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2roh n ASN 64 N -2.88 0.00 -4.23 4.31 2.85 -1.26 -5.06 115.26 108.99 2roh n ASN 64 Ca 0.01 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.16 2roh n ASN 64 Cb 0.54 0.03 0.16 0.00 1.24 0.00 0.00 39.78 41.75 2roh n ASN 64 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2roh n VAL 65 N -1.58 0.00 -4.40 3.44 0.24 -1.26 -5.02 118.33 109.75 2roh n VAL 65 Ca 0.00 -0.27 -0.24 0.00 -2.04 0.00 0.00 64.34 61.79 2roh n VAL 65 Cb 0.00 -0.56 -0.09 0.00 -1.47 0.00 0.00 33.84 31.72 2roh n VAL 65 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2roh s HIS 66 N -2.21 2.47 -0.68 6.34 3.76 -1.26 -4.85 115.29 118.86 2roh s HIS 66 Ca 0.54 -0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 55.07 2roh s HIS 66 Cb -0.10 -1.20 0.01 0.00 1.11 0.00 0.00 32.58 32.40 2roh s HIS 66 CO 0.65 0.62 0.67 0.72 -0.85 0.00 0.00 174.74 176.55 2roh n HIS 67 N -0.79 -2.99 -3.60 1.40 8.25 -1.26 -5.04 115.22 111.20 2roh n HIS 67 Ca -0.05 1.16 -0.05 0.00 -0.26 0.00 0.00 57.72 58.52 2roh n HIS 67 Cb 0.61 -3.93 -0.02 0.00 1.12 0.00 0.00 29.99 27.76 2roh n HIS 67 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2roh s ARG 68 N -3.10 0.31 -0.05 -0.41 3.03 -1.26 -5.18 118.95 112.29 2roh s ARG 68 Ca 0.06 -0.09 -0.16 0.00 2.03 0.00 0.00 55.73 57.57 2roh s ARG 68 Cb -0.01 0.14 0.03 0.00 -1.03 0.00 0.00 34.95 34.08 2roh s ARG 68 CO 0.77 -0.13 0.36 0.99 -1.13 0.00 0.00 175.30 176.16 2roh s THR 69 N -2.19 0.04 0.29 4.99 2.01 -1.26 -5.02 115.64 114.50 2roh s THR 69 Ca 0.08 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.81 2roh s THR 69 Cb -0.01 -0.63 0.29 0.00 0.01 0.00 0.00 72.50 72.16 2roh s THR 69 CO -0.05 -0.17 1.70 0.10 -0.69 0.00 0.00 174.62 175.51 2roh h TYR 70 N 4.20 0.70 -0.58 4.92 -0.00 -1.95 0.28 116.97 124.54 2roh h TYR 70 Ca -0.29 0.04 -0.07 0.00 0.00 0.00 0.00 58.73 58.41 2roh h TYR 70 Cb 1.17 -0.17 -0.02 0.00 0.00 0.00 0.00 36.73 37.71 2roh h TYR 70 CO 0.48 -0.02 0.08 -0.24 -0.00 0.00 0.00 178.16 178.45 2roh h VAL 71 N 0.43 1.25 -0.36 -0.90 3.04 -1.96 -2.40 116.25 115.35 2roh h VAL 71 Ca 0.56 -0.98 -0.04 0.00 -1.01 0.00 0.00 66.70 65.23 2roh h VAL 71 Cb 1.06 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.05 2roh h VAL 71 CO -0.51 0.36 0.05 0.44 -1.01 0.00 0.00 177.57 176.89 2roh h ASP 72 N 0.88 0.50 0.26 3.17 3.32 -0.88 0.92 116.42 124.60 2roh h ASP 72 Ca 0.18 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2roh h ASP 72 Cb 0.41 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2roh h ASP 72 CO 0.01 0.54 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.88 2roh h LEU 73 N 0.53 -0.29 -0.43 1.55 3.38 -0.93 -0.43 115.31 118.68 2roh h LEU 73 Ca 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2roh h LEU 73 Cb 0.27 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2roh h LEU 73 CO 0.00 0.15 0.25 0.50 0.09 0.00 0.00 178.44 179.43 2roh h LYS 74 N -0.81 0.58 -0.66 1.13 1.63 -1.36 -1.58 116.57 115.48 2roh h LYS 74 Ca -0.04 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 2roh h LYS 74 Cb 0.51 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 2roh h LYS 74 CO 0.06 0.43 0.26 0.22 -3.45 0.00 0.00 179.45 176.97 2roh h ASP 75 N 0.56 0.90 -0.66 4.20 3.58 -0.88 -2.35 116.42 121.77 2roh h ASP 75 Ca 0.15 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 2roh h ASP 75 Cb 0.00 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 2roh h ASP 75 CO -0.03 0.81 0.15 0.11 -2.88 0.00 0.00 179.24 177.40 2roh h LYS 76 N 0.96 1.08 -0.39 0.28 1.79 -0.65 -1.96 116.57 117.67 2roh h LYS 76 Ca 0.22 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2roh h LYS 76 Cb 0.20 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2roh h LYS 76 CO -0.02 0.96 0.13 2.35 -1.08 0.00 0.00 179.45 181.79 2roh h TRP 77 N 1.02 0.62 -0.84 -1.35 7.01 -0.89 0.21 115.95 121.73 2roh h TRP 77 Ca 0.21 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 2roh h TRP 77 Cb 0.37 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.21 2roh h TRP 77 CO 0.03 0.58 0.41 -0.22 -2.79 0.00 0.00 178.44 176.45 2roh h LYS 78 N 0.49 1.21 0.06 2.65 1.63 -1.27 0.14 116.57 121.48 2roh h LYS 78 Ca 0.13 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2roh h LYS 78 Cb 0.24 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2roh h LYS 78 CO -0.01 0.92 -0.03 1.15 -3.45 0.00 0.00 179.45 178.04 2roh h THR 79 N 1.20 1.25 -0.46 1.00 2.02 -1.15 -2.24 112.91 114.52 2roh h THR 79 Ca 0.29 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2roh h THR 79 Cb 0.11 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2roh h THR 79 CO -0.04 0.30 0.30 0.17 0.37 0.00 0.00 175.52 176.63 2roh h LEU 80 N -0.67 0.54 -0.17 2.58 8.10 -0.52 -1.86 115.31 123.31 2roh h LEU 80 Ca -0.01 -0.02 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 2roh h LEU 80 Cb 0.56 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.64 2roh h LEU 80 CO 0.01 0.40 -0.06 0.58 -4.11 0.00 0.00 178.44 175.26 2roh h VAL 81 N 0.63 1.30 -0.78 0.15 2.07 -0.73 -1.30 116.25 117.59 2roh h VAL 81 Ca 0.17 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2roh h VAL 81 Cb -0.06 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2roh h VAL 81 CO -0.04 0.31 0.50 -0.74 0.02 0.00 0.00 177.57 177.63 2roh h HIS 82 N 0.03 0.99 -0.00 1.57 -0.00 -0.98 0.23 115.15 116.99 2roh h HIS 82 Ca 0.04 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.29 2roh h HIS 82 Cb 0.51 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 2roh h HIS 82 CO 0.06 0.63 -0.67 1.15 -0.00 0.00 0.00 177.93 179.10 2roh h THR 83 N 1.06 1.48 -0.00 6.26 2.02 -1.27 -0.02 112.91 122.44 2roh h THR 83 Ca 0.28 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.17 2roh h THR 83 Cb -0.10 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2roh h THR 83 CO -0.06 0.66 -0.20 0.00 0.37 0.00 0.00 175.52 176.29 2roh n ALA 84 N -2.41 2.92 -0.08 6.16 0.00 -0.50 -3.90 120.51 122.70 2roh n ALA 84 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 2roh n ALA 84 Cb 0.66 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 2roh n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2roh n SER 85 N -1.02 2.02 -4.18 0.00 2.88 -0.01 -5.02 113.62 108.29 2roh n SER 85 Ca 0.12 -0.04 -0.31 0.00 -1.33 0.00 0.00 58.87 57.30 2roh n SER 85 Cb 0.31 0.34 0.17 0.00 -0.75 0.00 0.00 64.21 64.28 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 -2.74 0.00 -1.00 2.46 -5.35 -0.04 -4.93 119.36 107.76 2roh n ILE 86 Ca -0.27 -0.26 -0.31 0.00 -0.27 0.00 0.00 62.75 61.64 2roh n ILE 86 Cb 0.90 -0.59 0.13 0.00 -1.74 0.00 0.00 39.64 38.35 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 -2.21 1.86 0.25 -1.28 0.00 -1.26 -4.92 121.76 114.20 2roh s ALA 87 Ca 0.54 0.48 0.20 0.00 0.00 0.00 0.00 51.96 53.18 2roh s ALA 87 Cb -0.10 -3.38 0.89 0.00 0.00 0.00 0.00 23.12 20.53 2roh s ALA 87 CO 0.63 -2.27 1.84 -1.00 0.00 0.00 0.00 175.76 174.96 2roh h PRO 88 N -1.42 0.00 -0.44 0.00 0.13 -1.97 -2.98 132.00 125.32 2roh h PRO 88 Ca -0.44 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.82 2roh h PRO 88 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2roh h PRO 88 CO 0.46 0.30 0.40 -0.56 -0.23 0.00 0.00 178.00 178.37 2roh h GLN 89 N 0.00 0.00 0.00 0.86 3.07 -2.03 -2.93 115.11 114.08 2roh h GLN 89 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2roh h GLN 89 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.27 2roh h GLN 89 CO 0.04 0.00 -0.57 1.04 0.09 0.00 0.00 178.83 179.43 2roh n GLN 90 N -3.93 0.46 -4.32 0.06 1.13 -1.13 -4.94 117.38 104.71 2roh n GLN 90 Ca 0.08 0.50 -0.38 0.00 -1.94 0.00 0.00 57.00 55.26 2roh n GLN 90 Cb 0.59 -1.67 -0.08 0.00 0.11 0.00 0.00 30.24 29.19 2roh n GLN 90 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2roh n ARG 91 N -4.60 -0.78 -2.92 -1.09 1.85 -1.11 -4.81 116.66 103.20 2roh n ARG 91 Ca -0.08 0.12 -0.44 0.00 -1.00 0.00 0.00 57.85 56.45 2roh n ARG 91 Cb 0.29 -4.18 -0.03 0.00 -1.05 0.00 0.00 32.46 27.50 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 -6.90 3.46 0.10 2.89 3.52 -1.26 -4.96 118.95 115.80 2roh s ARG 92 Ca 0.61 -1.53 -0.25 0.00 -0.13 0.00 0.00 55.73 54.43 2roh s ARG 92 Cb -0.36 -4.73 0.08 0.00 -1.56 0.00 0.00 34.95 28.37 2roh s ARG 92 CO 0.96 -1.77 0.66 0.20 -0.81 0.00 0.00 175.30 174.53 2roh s GLY 93 N 3.65 -0.59 0.97 8.12 0.00 -1.26 -4.97 107.32 113.24 2roh s GLY 93 Ca 0.29 0.71 -0.12 0.00 0.00 0.00 0.00 44.72 45.60 2roh s GLY 93 CO -0.04 0.32 0.76 0.00 0.00 0.00 0.00 173.10 174.13 2roh n ALA 94 N -0.16 -1.93 -1.91 3.20 0.00 -1.26 -4.79 120.51 113.65 2roh n ALA 94 Ca -0.16 -0.68 -0.31 0.00 0.00 0.00 0.00 53.44 52.29 2roh n ALA 94 Cb 0.63 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 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 -3.15 1.57 -4.44 0.00 -0.04 -1.26 -4.90 135.00 122.78 2roh n PRO 95 Ca 0.08 -2.36 -0.26 0.00 -0.04 0.00 0.00 63.50 60.92 2roh n PRO 95 Cb 0.53 -3.60 -0.11 0.00 -0.04 0.00 0.00 33.50 30.29 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 10.14 2.46 0.59 0.52 -7.23 -1.26 -5.00 120.40 120.61 2roh s VAL 96 Ca 0.67 -2.18 -0.18 0.00 -1.81 0.00 0.00 61.98 58.48 2roh s VAL 96 Cb 0.02 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2roh s VAL 96 CO 0.14 -0.24 1.12 -2.16 -0.31 0.00 0.00 175.10 173.64 2roh s PRO 97 N -3.06 3.14 0.56 4.82 0.04 -1.26 -4.92 135.00 134.32 2roh s PRO 97 Ca 0.25 1.52 0.24 0.00 0.04 0.00 0.00 61.00 63.06 2roh s PRO 97 Cb -0.07 -1.98 1.51 0.00 0.04 0.00 0.00 34.50 34.00 2roh s PRO 97 CO 0.12 -1.01 2.11 1.96 0.04 0.00 0.00 177.00 180.23 2roh h GLN 98 N 0.73 0.00 -0.81 4.56 4.20 -2.00 -1.94 115.11 119.85 2roh h GLN 98 Ca -0.49 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.38 2roh h GLN 98 Cb 1.26 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.94 2roh h GLN 98 CO 0.56 0.00 0.37 1.05 -0.67 0.00 0.00 178.83 180.14 2roh h GLU 99 N 0.00 0.50 -0.75 1.46 4.11 -1.98 0.76 114.58 118.69 2roh h GLU 99 Ca 0.09 -0.03 0.07 0.00 0.07 0.00 0.00 59.36 59.56 2roh h GLU 99 Cb 0.42 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2roh h GLU 99 CO -0.00 0.33 0.43 -0.07 0.07 0.00 0.00 179.01 179.77 2roh h LEU 100 N 0.51 0.64 -0.74 3.06 3.38 -1.72 0.28 115.31 120.72 2roh h LEU 100 Ca 0.45 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.36 2roh h LEU 100 Cb 0.69 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2roh h LEU 100 CO -0.40 0.40 -0.44 -0.07 0.09 0.00 0.00 178.44 178.02 2roh h LEU 101 N 0.77 0.00 0.01 1.67 -0.00 -1.17 -2.29 115.31 114.30 2roh h LEU 101 Ca 0.34 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.98 2roh h LEU 101 Cb 0.23 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.91 2roh h LEU 101 CO -0.20 0.44 -0.92 -0.78 -0.00 0.00 0.00 178.44 176.97 2roh h ASP 102 N 0.00 0.79 -0.24 -0.43 3.58 0.53 -1.88 116.42 118.78 2roh h ASP 102 Ca -0.00 -0.75 -0.08 0.00 0.42 0.00 0.00 57.03 56.61 2roh h ASP 102 Cb 1.02 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2roh h ASP 102 CO 0.06 1.45 -0.16 0.08 -2.88 0.00 0.00 179.24 177.78 2roh h ARG 103 N 0.23 0.53 -0.57 0.28 0.11 -0.50 -0.09 114.38 114.36 2roh h ARG 103 Ca -0.12 -0.25 -0.10 0.00 0.10 0.00 0.00 59.98 59.61 2roh h ARG 103 Cb 1.60 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.65 2roh h ARG 103 CO 0.18 0.82 -0.04 -0.39 0.10 0.00 0.00 179.97 180.64 2roh h VAL 104 N 0.24 1.27 0.20 0.08 -1.51 -1.51 -1.07 116.25 113.95 2roh h VAL 104 Ca 0.05 -1.19 -0.01 0.00 -1.23 0.00 0.00 66.70 64.31 2roh h VAL 104 Cb 0.69 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2roh h VAL 104 CO 0.04 0.43 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.65 2roh h LEU 105 N 0.93 -0.22 -0.58 4.19 3.38 -1.32 -1.38 115.31 120.31 2roh h LEU 105 Ca 0.16 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2roh h LEU 105 Cb 0.60 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2roh h LEU 105 CO 0.04 0.20 0.28 0.00 0.09 0.00 0.00 178.44 179.04 2roh h ALA 106 N -0.03 0.75 -0.65 1.53 0.00 -1.03 -2.04 119.26 117.78 2roh h ALA 106 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2roh h ALA 106 Cb 0.49 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2roh h ALA 106 CO 0.04 -0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.49 2roh h ALA 107 N 1.33 0.85 -0.44 0.00 0.00 -1.22 0.63 119.26 120.41 2roh h ALA 107 Ca 0.27 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2roh h ALA 107 Cb 0.22 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2roh h ALA 107 CO -0.21 0.44 0.07 0.37 0.00 0.00 0.00 179.25 179.92 2roh h GLN 108 N 0.91 0.19 0.00 0.00 -0.00 -0.55 -1.17 115.11 114.49 2roh h GLN 108 Ca 0.22 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.72 2roh h GLN 108 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.59 2roh h GLN 108 CO -0.02 0.12 -0.66 0.00 0.00 0.00 0.00 178.83 178.27 2roh h ALA 109 N 1.35 0.77 -0.50 3.38 0.00 -1.25 -3.22 119.26 119.79 2roh h ALA 109 Ca 0.22 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2roh h ALA 109 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2roh h ALA 109 CO -0.31 0.83 0.30 1.88 0.00 0.00 0.00 179.25 181.95 2roh h TYR 110 N 0.00 0.67 0.00 0.00 0.05 0.26 -1.62 116.97 116.33 2roh h TYR 110 Ca -0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2roh h TYR 110 Cb 1.28 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2roh h TYR 110 CO 0.00 0.47 0.00 -1.49 -1.05 0.00 0.00 178.16 176.09 2roh h TRP 111 N 0.67 0.00 -2.97 4.88 6.55 -1.30 -3.42 115.95 120.36 2roh h TRP 111 Ca 0.18 0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.45 2roh h TRP 111 Cb -0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.26 2roh h TRP 111 CO -0.03 0.00 0.99 0.45 -1.05 0.00 0.00 178.44 178.81 2roh s SER 112 N -5.48 6.68 -0.15 -3.49 0.15 -0.61 -4.86 113.70 105.93 2roh s SER 112 Ca 0.01 1.48 0.16 0.00 0.70 0.00 0.00 55.95 58.29 2roh s SER 112 Cb 0.09 -2.54 -0.22 0.00 -1.71 0.00 0.00 66.02 61.64 2roh s SER 112 CO 0.51 -1.03 0.10 0.52 1.20 0.00 0.00 173.24 174.54 2roh n VAL 113 N 5.99 1.05 -2.82 4.45 0.31 -1.26 -5.00 118.33 121.06 2roh n VAL 113 Ca 0.15 -0.70 -0.10 0.00 -0.01 0.00 0.00 64.34 63.68 2roh n VAL 113 Cb 0.46 -0.47 0.05 0.00 -0.91 0.00 0.00 33.84 32.97 2roh n VAL 113 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2roh n ASP 114 N -2.59 -2.51 0.19 4.52 -0.08 -1.26 -4.98 116.55 109.84 2roh n ASP 114 Ca -0.25 -0.39 -0.07 0.00 -1.51 0.00 0.00 54.79 52.57 2roh n ASP 114 Cb 1.00 -3.32 -0.04 0.00 2.34 0.00 0.00 41.12 41.10 2roh n ASP 114 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2roh h SER 115 N -1.07 -0.41 -5.06 1.67 0.87 -2.00 -3.48 113.55 104.07 2roh h SER 115 Ca -0.36 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.24 2roh h SER 115 Cb 1.20 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.20 2roh h SER 115 CO 0.30 -0.28 0.13 -0.44 -0.53 0.00 0.00 176.83 176.01 2roh s SER 116 N -2.86 -0.24 -0.48 6.23 0.01 -1.26 -5.12 113.70 109.97 2roh s SER 116 Ca -0.07 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.63 2roh s SER 116 Cb 0.01 0.67 0.25 0.00 0.21 0.00 0.00 66.02 67.16 2roh s SER 116 CO 0.21 -1.24 0.92 0.61 0.41 0.00 0.00 173.24 174.15 2roh n GLY 117 N -0.42 0.21 3.45 3.44 0.00 -1.26 -5.15 105.19 105.45 2roh n GLY 117 Ca -0.05 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2roh n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2roh s ARG 118 N 0.56 -1.58 -0.99 1.61 3.52 -1.26 -4.87 118.95 115.95 2roh s ARG 118 Ca 0.30 0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 56.28 2roh s ARG 118 Cb 0.24 -1.51 -0.00 0.00 -1.56 0.00 0.00 34.95 32.12 2roh s ARG 118 CO -0.21 -4.06 2.81 0.44 -0.81 0.00 0.00 175.30 173.46 2roh n ILE 119 N -5.10 4.24 -1.65 4.11 -5.35 -1.26 -4.96 119.36 109.40 2roh n ILE 119 Ca 0.07 -3.17 -0.53 0.00 -0.27 0.00 0.00 62.75 58.85 2roh n ILE 119 Cb 0.57 -2.08 -0.06 0.00 -1.74 0.00 0.00 39.64 36.33 2roh n ILE 119 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2roh n VAL 120 N 2.08 0.38 -2.97 7.28 0.31 -1.26 -4.89 118.33 119.26 2roh n VAL 120 Ca 0.60 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.67 2roh n VAL 120 Cb 0.42 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 2roh n VAL 120 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2roh n THR 121 N 5.37 -0.38 0.00 2.52 -1.04 -1.26 -5.28 114.28 114.20 2roh n THR 121 Ca 0.28 -2.29 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 2roh n THR 121 Cb 0.21 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 2roh n THR 121 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32