#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 0.00 -4.65 1.61 7.64 -1.26 -5.12 113.62 111.84 2roh n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2roh n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2roh n SER 2 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2roh s PRO 3 N 0.00 4.06 -0.09 1.43 0.04 -1.26 -4.93 135.00 134.25 2roh s PRO 3 Ca 0.00 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 2roh s PRO 3 Cb 0.00 -3.95 -0.01 0.00 0.04 0.00 0.00 34.50 30.58 2roh s PRO 3 CO 0.00 -0.96 -0.06 0.35 0.04 0.00 0.00 177.00 176.36 2roh h PHE 4 N 9.63 0.00 -2.03 0.56 3.57 -2.10 -3.49 116.94 123.08 2roh h PHE 4 Ca -0.34 0.00 -0.60 0.00 3.53 0.00 0.00 57.97 60.55 2roh h PHE 4 Cb 1.15 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.76 2roh h PHE 4 CO 0.87 0.00 -0.50 0.00 -2.23 0.00 0.00 178.31 176.45 2roh s ALA 5 N -2.72 3.31 0.27 2.41 0.00 -1.26 -5.17 121.76 118.60 2roh s ALA 5 Ca -0.05 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.10 2roh s ALA 5 Cb 0.01 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2roh s ALA 5 CO 0.08 -0.26 0.02 0.16 0.00 0.00 0.00 175.76 175.76 2roh s ASP 6 N -3.69 4.67 0.26 0.00 -4.77 -1.26 -5.10 116.67 106.77 2roh s ASP 6 Ca 0.17 -0.60 -0.30 0.00 -3.30 0.00 0.00 52.55 48.53 2roh s ASP 6 Cb 0.01 -0.92 -0.09 0.00 -1.09 0.00 0.00 42.92 40.83 2roh s ASP 6 CO 0.11 -0.01 1.26 -2.16 0.70 0.00 0.00 175.17 175.08 2roh s PRO 7 N -3.70 4.43 -0.05 2.11 0.04 -1.26 -5.04 135.00 131.53 2roh s PRO 7 Ca 0.32 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 2roh s PRO 7 Cb -0.07 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.35 2roh s PRO 7 CO 0.21 -0.13 0.07 1.21 0.04 0.00 0.00 177.00 178.40 2roh s ASN 8 N -0.18 1.18 -0.20 6.66 2.47 -1.26 -5.12 114.94 118.49 2roh s ASN 8 Ca 0.52 0.06 -0.01 0.00 0.42 0.00 0.00 52.86 53.85 2roh s ASN 8 Cb -0.36 -0.10 0.06 0.00 -1.45 0.00 0.00 41.25 39.39 2roh s ASN 8 CO 0.44 -0.26 -0.02 -0.94 -3.72 0.00 0.00 177.10 172.60 2roh s SER 9 N 2.18 3.25 -0.21 -4.21 1.04 -1.26 -5.09 113.70 109.40 2roh s SER 9 Ca 0.05 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.52 2roh s SER 9 Cb -0.12 -0.88 0.11 0.00 0.10 0.00 0.00 66.02 65.22 2roh s SER 9 CO -0.04 -0.25 0.29 -0.22 0.98 0.00 0.00 173.24 174.00 2roh s LEU 10 N 1.63 -0.35 0.27 2.42 1.98 -1.26 -5.15 118.68 118.22 2roh s LEU 10 Ca -0.03 0.07 -0.17 0.00 -2.89 0.00 0.00 54.13 51.11 2roh s LEU 10 Cb -0.17 0.74 0.01 0.00 0.66 0.00 0.00 46.19 47.42 2roh s LEU 10 CO -0.07 -0.31 0.62 0.00 -1.89 0.00 0.00 176.35 174.70 2roh s ALA 11 N 2.43 -0.79 0.22 5.97 0.00 -1.26 -5.18 121.76 123.15 2roh s ALA 11 Ca 0.09 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.57 2roh s ALA 11 Cb -0.15 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2roh s ALA 11 CO -0.13 -0.96 -0.02 -0.51 0.00 0.00 0.00 175.76 174.14 2roh s LEU 12 N -2.97 3.20 -0.03 0.00 1.43 -1.26 -5.14 118.68 113.91 2roh s LEU 12 Ca 0.16 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2roh s LEU 12 Cb -0.04 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2roh s LEU 12 CO 0.08 0.05 -0.17 0.00 0.23 0.00 0.00 176.35 176.54 2roh s ALA 13 N -1.99 1.52 0.11 4.21 0.00 -1.26 -5.14 121.76 119.21 2roh s ALA 13 Ca 0.29 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.56 2roh s ALA 13 Cb -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2roh s ALA 13 CO 0.18 0.31 -0.10 -0.80 0.00 0.00 0.00 175.76 175.36 2roh s ASN 14 N -0.12 1.50 0.18 0.00 -0.87 -1.26 -5.16 114.94 109.20 2roh s ASN 14 Ca -0.00 -0.87 0.07 0.00 -1.57 0.00 0.00 52.86 50.49 2roh s ASN 14 Cb -0.10 0.01 -0.04 0.00 -0.02 0.00 0.00 41.25 41.10 2roh s ASN 14 CO 0.01 -0.29 -0.00 0.68 -2.57 0.00 0.00 177.10 174.93 2roh s VAL 15 N -2.71 3.70 -0.83 1.60 -7.23 -1.26 -5.05 120.40 108.62 2roh s VAL 15 Ca 0.08 -1.44 -0.25 0.00 -1.81 0.00 0.00 61.98 58.56 2roh s VAL 15 Cb -0.01 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2roh s VAL 15 CO -0.00 -0.12 1.92 -2.16 -0.31 0.00 0.00 175.10 174.43 2roh s PRO 16 N -2.96 2.58 -1.49 4.82 0.04 -1.26 -4.87 135.00 131.85 2roh s PRO 16 Ca 0.27 -0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.16 2roh s PRO 16 Cb -0.09 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.56 2roh s PRO 16 CO 0.19 -3.21 2.64 -0.11 0.04 0.00 0.00 177.00 176.55 2roh n LEU 17 N 13.65 8.23 -4.86 -3.56 7.94 -1.26 -4.91 117.00 132.23 2roh n LEU 17 Ca 0.35 -4.53 -0.25 0.00 -1.11 0.00 0.00 56.01 50.47 2roh n LEU 17 Cb 0.48 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 42.90 2roh n LEU 17 CO 0.63 1.93 -0.02 -0.44 -1.11 0.00 0.00 177.39 178.38 2roh s SER 18 N 1.63 4.64 -0.00 1.96 0.01 -1.26 -5.15 113.70 115.53 2roh s SER 18 Ca 0.61 -1.14 -0.05 0.00 1.31 0.00 0.00 55.95 56.68 2roh s SER 18 Cb 0.17 0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.45 2roh s SER 18 CO -0.07 -0.89 0.10 -0.13 0.41 0.00 0.00 173.24 172.66 2roh s ARG 19 N -4.15 0.38 -0.16 12.44 1.81 -1.26 -5.15 118.95 122.86 2roh s ARG 19 Ca 0.37 -0.33 -0.04 0.00 -1.72 0.00 0.00 55.73 54.00 2roh s ARG 19 Cb -0.01 0.16 0.08 0.00 -0.45 0.00 0.00 34.95 34.72 2roh s ARG 19 CO 0.22 -0.08 0.25 -1.54 -0.68 0.00 0.00 175.30 173.47 2roh s SER 20 N -1.11 0.66 -0.19 0.23 1.04 -1.26 -5.12 113.70 107.94 2roh s SER 20 Ca -0.12 0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 2roh s SER 20 Cb -0.07 0.61 0.07 0.00 0.10 0.00 0.00 66.02 66.73 2roh s SER 20 CO 0.01 -0.27 0.08 -0.75 0.98 0.00 0.00 173.24 173.29 2roh s LYS 21 N 2.39 0.24 -0.46 4.02 2.20 -1.26 -5.04 119.74 121.84 2roh s LYS 21 Ca 0.04 -0.25 0.07 0.00 -0.36 0.00 0.00 55.97 55.47 2roh s LYS 21 Cb -0.13 -1.83 0.24 0.00 -1.51 0.00 0.00 37.83 34.60 2roh s LYS 21 CO -0.10 -0.71 0.80 2.89 -0.36 0.00 0.00 175.35 177.87 2roh n ARG 22 N 5.21 0.77 -1.08 4.03 0.00 -1.26 -5.15 116.66 119.17 2roh n ARG 22 Ca -0.07 -2.10 -0.30 0.00 -0.00 0.00 0.00 57.85 55.37 2roh n ARG 22 Cb 0.48 -1.40 0.24 0.00 -0.00 0.00 0.00 32.46 31.77 2roh n ARG 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2roh s PRO 23 N 0.22 -1.19 -0.02 2.89 0.04 -1.26 -5.09 135.00 130.58 2roh s PRO 23 Ca 0.33 -0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.28 2roh s PRO 23 Cb 0.22 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 33.16 2roh s PRO 23 CO -0.21 -3.69 0.08 -0.51 0.04 0.00 0.00 177.00 172.71 2roh s ASP 24 N -3.88 -0.05 -0.07 6.66 1.01 -1.26 -5.16 116.67 113.93 2roh s ASP 24 Ca 0.71 0.07 -0.30 0.00 0.71 0.00 0.00 52.55 53.73 2roh s ASP 24 Cb -0.10 0.17 0.09 0.00 1.01 0.00 0.00 42.92 44.09 2roh s ASP 24 CO 0.56 -0.09 0.77 0.72 0.21 0.00 0.00 175.17 177.33 2roh s PHE 25 N -0.26 -0.57 0.00 4.23 -0.12 -1.26 -5.14 117.98 114.87 2roh s PHE 25 Ca -0.03 0.93 0.00 0.00 -0.05 0.00 0.00 56.93 57.78 2roh s PHE 25 Cb -0.02 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 2roh s PHE 25 CO 0.00 -0.55 0.00 0.41 -0.05 0.00 0.00 175.22 175.04 2roh n GLY 26 N 0.76 2.60 3.71 1.99 0.00 -1.26 -5.16 105.19 107.84 2roh n GLY 26 Ca -0.16 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.55 2.39 0.03 1.61 -1.52 -1.26 -5.14 119.66 113.22 2roh s GLN 27 Ca 0.00 -1.46 0.02 0.00 -1.95 0.00 0.00 55.36 51.97 2roh s GLN 27 Cb 0.00 -2.20 -0.04 0.00 -0.22 0.00 0.00 33.01 30.55 2roh s GLN 27 CO 0.00 0.23 0.05 1.03 -0.25 0.00 0.00 175.29 176.34 2roh s ARG 28 N -3.78 2.87 -1.24 2.91 0.52 -1.26 -4.58 118.95 114.40 2roh s ARG 28 Ca 0.35 -0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 54.94 2roh s ARG 28 Cb -0.04 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.70 2roh s ARG 28 CO 0.22 0.61 0.89 0.54 0.02 0.00 0.00 175.30 177.58 2roh n ARG 29 N 1.00 -6.00 -1.48 3.54 1.74 -1.26 -4.81 116.66 109.39 2roh n ARG 29 Ca -0.12 0.77 -0.49 0.00 -0.77 0.00 0.00 57.85 57.24 2roh n ARG 29 Cb 0.52 -5.63 -0.06 0.00 -1.02 0.00 0.00 32.46 26.27 2roh n ARG 29 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2roh n ILE 30 N -4.17 0.23 -4.91 0.55 2.08 -1.26 -4.94 119.36 106.94 2roh n ILE 30 Ca -0.29 -0.31 -0.31 0.00 0.56 0.00 0.00 62.75 62.41 2roh n ILE 30 Cb 0.67 -1.86 -0.14 0.00 -0.75 0.00 0.00 39.64 37.56 2roh n ILE 30 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2roh s ARG 31 N 6.23 1.96 0.74 0.38 1.81 -1.26 -5.13 118.95 123.68 2roh s ARG 31 Ca 1.07 -1.03 -0.11 0.00 -1.72 0.00 0.00 55.73 53.95 2roh s ARG 31 Cb -0.73 -2.06 0.04 0.00 -0.45 0.00 0.00 34.95 31.74 2roh s ARG 31 CO 0.46 0.53 1.08 1.03 -0.68 0.00 0.00 175.30 177.72 2roh s ARG 32 N -1.16 2.56 1.05 3.54 0.52 -1.26 -5.04 118.95 119.15 2roh s ARG 32 Ca 0.12 0.99 -0.14 0.00 -0.52 0.00 0.00 55.73 56.19 2roh s ARG 32 Cb -0.10 -1.94 0.21 0.00 0.52 0.00 0.00 34.95 33.64 2roh s ARG 32 CO 0.02 -1.38 1.10 -1.25 0.02 0.00 0.00 175.30 173.81 2roh s PRO 33 N -5.00 0.03 0.59 3.54 0.04 -1.26 -5.05 135.00 127.89 2roh s PRO 33 Ca 0.60 0.38 -0.08 0.00 0.04 0.00 0.00 61.00 61.94 2roh s PRO 33 Cb -0.15 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2roh s PRO 33 CO 0.55 -2.97 0.93 -0.06 0.04 0.00 0.00 177.00 175.49 2roh s PHE 34 N -2.97 3.42 0.98 0.56 0.40 -1.26 -5.05 117.98 114.05 2roh s PHE 34 Ca 0.67 0.88 -0.11 0.00 -0.60 0.00 0.00 56.93 57.77 2roh s PHE 34 Cb -0.17 -2.68 0.18 0.00 0.51 0.00 0.00 43.02 40.86 2roh s PHE 34 CO 0.57 -0.72 1.10 0.99 0.70 0.00 0.00 175.22 177.86 2roh s THR 35 N -3.03 2.23 0.28 0.64 2.01 -1.26 -4.61 115.64 111.90 2roh s THR 35 Ca 0.53 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 2roh s THR 35 Cb -0.11 -2.21 0.28 0.00 0.01 0.00 0.00 72.50 70.47 2roh s THR 35 CO 0.48 -0.10 1.89 1.62 -0.69 0.00 0.00 174.62 177.82 2roh h VAL 36 N -2.00 1.07 -0.02 3.82 3.04 -1.96 0.24 116.25 120.44 2roh h VAL 36 Ca -0.50 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 64.79 2roh h VAL 36 Cb 1.29 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2roh h VAL 36 CO 0.47 0.20 -0.08 0.00 -1.01 0.00 0.00 177.57 177.15 2roh h ALA 37 N 1.48 0.04 -0.31 3.17 0.00 -1.99 -1.47 119.26 120.17 2roh h ALA 37 Ca 0.42 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2roh h ALA 37 Cb 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2roh h ALA 37 CO -0.17 -0.09 0.18 0.93 0.00 0.00 0.00 179.25 180.10 2roh h GLU 38 N -0.52 0.35 -0.25 0.00 4.39 -1.84 -1.74 114.58 114.98 2roh h GLU 38 Ca -0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2roh h GLU 38 Cb 0.72 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2roh h GLU 38 CO 0.02 0.23 0.07 0.28 -1.16 0.00 0.00 179.01 178.45 2roh h VAL 39 N 0.36 1.20 -0.77 3.13 2.07 -0.61 -1.88 116.25 119.76 2roh h VAL 39 Ca 0.12 -0.65 0.12 0.00 0.82 0.00 0.00 66.70 67.11 2roh h VAL 39 Cb 0.01 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 2roh h VAL 39 CO -0.06 0.21 0.37 -0.33 0.02 0.00 0.00 177.57 177.78 2roh h GLU 40 N 0.24 0.57 -0.18 1.57 5.08 -1.04 0.36 114.58 121.19 2roh h GLU 40 Ca 0.08 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2roh h GLU 40 Cb 0.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2roh h GLU 40 CO -0.00 0.38 0.00 -0.07 -1.00 0.00 0.00 179.01 178.32 2roh h LEU 41 N 0.59 0.30 0.54 1.33 3.38 -1.15 -1.00 115.31 119.30 2roh h LEU 41 Ca 0.40 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2roh h LEU 41 Cb 0.49 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2roh h LEU 41 CO -0.32 0.53 -0.35 0.25 0.09 0.00 0.00 178.44 178.64 2roh h LEU 42 N 0.06 -0.88 -1.19 1.67 7.12 -0.57 0.44 115.31 121.96 2roh h LEU 42 Ca 0.05 0.05 0.17 0.00 0.13 0.00 0.00 57.88 58.28 2roh h LEU 42 Cb 0.37 0.26 -0.08 0.00 -0.53 0.00 0.00 40.66 40.68 2roh h LEU 42 CO 0.01 -0.53 0.60 0.58 -0.13 0.00 0.00 178.44 178.98 2roh h VAL 43 N -0.84 0.77 -0.04 1.05 2.07 -1.03 0.23 116.25 118.46 2roh h VAL 43 Ca -0.07 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2roh h VAL 43 Cb 0.67 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2roh h VAL 43 CO 0.07 0.13 -0.32 -0.08 0.02 0.00 0.00 177.57 177.38 2roh h GLU 44 N 0.71 0.07 0.02 1.57 4.81 -0.88 0.27 114.58 121.16 2roh h GLU 44 Ca 0.51 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2roh h GLU 44 Cb 0.84 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2roh h GLU 44 CO -0.27 0.39 -0.01 0.00 -0.73 0.00 0.00 179.01 178.39 2roh h ALA 45 N 1.61 -0.03 -0.00 2.92 0.00 0.17 -1.93 119.26 122.00 2roh h ALA 45 Ca 0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 2roh h ALA 45 Cb 0.61 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2roh h ALA 45 CO 0.04 -0.14 -0.51 -0.24 0.00 0.00 0.00 179.25 178.40 2roh h VAL 46 N -0.77 1.37 -0.01 0.00 3.04 -1.17 -3.06 116.25 115.65 2roh h VAL 46 Ca -0.00 -1.76 -0.01 0.00 -1.01 0.00 0.00 66.70 63.92 2roh h VAL 46 Cb 0.70 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2roh h VAL 46 CO 0.00 0.50 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.96 2roh h GLU 47 N 0.00 0.04 -0.24 4.17 4.22 -0.53 0.53 114.58 122.78 2roh h GLU 47 Ca -0.00 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.48 2roh h GLU 47 Cb 0.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2roh h GLU 47 CO 0.07 0.61 0.26 1.25 -2.18 0.00 0.00 179.01 179.02 2roh h HIS 48 N -0.53 0.00 -0.00 0.92 2.76 -1.35 0.12 115.15 117.07 2roh h HIS 48 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2roh h HIS 48 Cb 0.61 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.57 2roh h HIS 48 CO 0.13 0.00 -0.53 1.28 -1.30 0.00 0.00 177.93 177.51 2roh n LEU 49 N -3.77 1.05 0.00 0.26 4.77 -1.16 -5.06 117.00 113.08 2roh n LEU 49 Ca 0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2roh n LEU 49 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2roh n LEU 49 CO 0.27 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2roh n GLY 50 N 1.25 3.68 2.74 -0.72 0.00 0.18 -3.60 105.19 108.72 2roh n GLY 50 Ca 0.04 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2roh n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2roh n THR 51 N 0.00 3.33 0.00 2.61 -1.04 -1.26 -4.57 114.28 113.35 2roh n THR 51 Ca 0.00 -5.40 0.00 0.00 -2.04 0.00 0.00 64.05 56.61 2roh n THR 51 Cb 0.00 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.36 2roh n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2roh n GLY 52 N 1.29 3.47 3.74 3.41 0.00 -1.24 -5.09 105.19 110.77 2roh n GLY 52 Ca 0.27 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 4.85 4.36 0.56 1.61 0.52 -1.26 -4.94 118.95 124.65 2roh s ARG 53 Ca 0.00 0.72 0.28 0.00 -0.52 0.00 0.00 55.73 56.21 2roh s ARG 53 Cb 0.00 -3.40 1.48 0.00 0.52 0.00 0.00 34.95 33.55 2roh s ARG 53 CO 0.00 0.23 1.95 0.11 0.02 0.00 0.00 175.30 177.61 2roh h TRP 54 N 6.22 0.00 -0.13 -0.53 0.09 -1.99 0.26 115.95 119.88 2roh h TRP 54 Ca -0.43 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 58.43 2roh h TRP 54 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.42 2roh h TRP 54 CO 0.65 0.00 -0.46 -0.09 0.09 0.00 0.00 178.44 178.63 2roh h ARG 55 N 0.00 0.31 -0.22 0.12 2.43 -1.92 -1.69 114.38 113.41 2roh h ARG 55 Ca 0.24 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2roh h ARG 55 Cb 1.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2roh h ARG 55 CO -0.00 0.71 -0.05 0.22 -1.51 0.00 0.00 179.97 179.33 2roh h ASP 56 N 0.25 0.43 0.44 -3.80 1.82 -0.88 -2.17 116.42 112.52 2roh h ASP 56 Ca 0.02 -0.37 -0.10 0.00 -0.39 0.00 0.00 57.03 56.19 2roh h ASP 56 Cb 0.91 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 2roh h ASP 56 CO 0.07 0.70 -0.47 1.62 -1.61 0.00 0.00 179.24 179.55 2roh h VAL 57 N 0.16 1.34 -0.28 2.25 3.04 -1.47 0.60 116.25 121.89 2roh h VAL 57 Ca 0.06 -1.63 -0.06 0.00 -1.01 0.00 0.00 66.70 64.05 2roh h VAL 57 Cb 0.51 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2roh h VAL 57 CO 0.02 0.47 -0.06 0.50 -1.01 0.00 0.00 177.57 177.49 2roh h LYS 58 N 0.03 0.53 0.00 4.17 1.63 -1.19 0.26 116.57 122.01 2roh h LYS 58 Ca -0.00 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2roh h LYS 58 Cb 0.85 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2roh h LYS 58 CO 0.06 0.74 -0.17 0.35 -3.45 0.00 0.00 179.45 176.98 2roh h PHE 59 N 0.29 0.00 0.00 1.91 3.57 -1.32 -3.10 116.94 118.30 2roh h PHE 59 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2roh h PHE 59 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2roh h PHE 59 CO 0.05 0.01 -0.73 -2.13 -2.23 0.00 0.00 178.31 173.28 2roh n ARG 60 N -3.03 0.15 0.00 1.11 3.00 0.20 -4.57 116.66 113.51 2roh n ARG 60 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2roh n ARG 60 Cb 0.54 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.43 2roh n ARG 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2roh n ALA 61 N -1.67 0.00 0.00 5.13 0.00 0.90 -4.78 120.51 120.10 2roh n ALA 61 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2roh n ALA 61 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2roh n ALA 61 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2roh n PHE 62 N -0.49 0.00 -4.01 0.00 1.16 -1.25 -4.96 117.46 107.91 2roh n PHE 62 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.26 2roh n PHE 62 Cb 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 2roh n PHE 62 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 2roh n GLU 63 N -0.94 -1.69 0.00 3.97 0.28 -1.17 -4.58 120.64 116.50 2roh n GLU 63 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 2roh n GLU 63 Cb 0.00 -4.77 0.00 0.00 1.43 0.00 0.00 31.44 28.10 2roh n GLU 63 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2roh n ASN 64 N -2.28 0.00 -4.43 -1.84 2.85 -1.26 -5.08 115.26 103.21 2roh n ASN 64 Ca 0.08 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.19 2roh n ASN 64 Cb 0.47 0.01 0.07 0.00 1.24 0.00 0.00 39.78 41.57 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 -1.67 1.47 0.00 3.44 0.24 -1.26 -4.93 118.33 115.61 2roh n VAL 65 Ca 0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2roh n VAL 65 Cb 0.00 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.45 0.00 -2.18 6.34 8.25 -1.26 -4.08 115.22 119.84 2roh n HIS 66 Ca 0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.17 2roh n HIS 66 Cb 0.50 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 2roh n HIS 66 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2roh s HIS 67 N -1.65 1.85 -0.32 4.41 3.76 -1.26 -4.93 115.29 117.15 2roh s HIS 67 Ca 0.00 0.51 0.02 0.00 -0.15 0.00 0.00 55.06 55.44 2roh s HIS 67 Cb 0.00 -4.24 0.10 0.00 1.11 0.00 0.00 32.58 29.55 2roh s HIS 67 CO 0.00 -2.19 0.07 -0.98 -0.85 0.00 0.00 174.74 170.79 2roh s ARG 68 N 6.65 1.13 -0.07 1.40 1.70 -1.26 -5.08 118.95 123.43 2roh s ARG 68 Ca 0.59 -1.48 0.02 0.00 -0.47 0.00 0.00 55.73 54.40 2roh s ARG 68 Cb -0.10 -2.62 0.01 0.00 -0.57 0.00 0.00 34.95 31.66 2roh s ARG 68 CO 0.16 -0.95 -0.13 0.95 -1.08 0.00 0.00 175.30 174.25 2roh s THR 69 N 1.25 1.22 0.10 4.99 -4.23 -1.26 -5.05 115.64 112.66 2roh s THR 69 Ca 0.10 -0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 59.78 2roh s THR 69 Cb -0.18 -1.11 -0.12 0.00 1.34 0.00 0.00 72.50 72.43 2roh s THR 69 CO -0.16 0.37 1.49 1.88 -0.54 0.00 0.00 174.62 177.66 2roh h TYR 70 N 6.94 -1.40 -0.57 3.99 0.05 -1.97 -0.71 116.97 123.29 2roh h TYR 70 Ca -0.30 0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.58 2roh h TYR 70 Cb 1.19 0.61 -0.03 0.00 1.01 0.00 0.00 36.73 39.51 2roh h TYR 70 CO 0.49 -0.50 0.38 -0.24 -1.05 0.00 0.00 178.16 177.23 2roh h VAL 71 N -0.58 1.01 -0.65 -2.88 3.04 -1.97 -1.11 116.25 113.10 2roh h VAL 71 Ca 0.01 -0.19 0.02 0.00 -1.01 0.00 0.00 66.70 65.53 2roh h VAL 71 Cb 0.63 0.39 -0.03 0.00 -2.01 0.00 0.00 31.29 30.27 2roh h VAL 71 CO -0.33 0.10 0.43 -0.78 -1.01 0.00 0.00 177.57 175.99 2roh h ASP 72 N 0.57 0.70 0.23 3.17 3.58 -1.60 0.28 116.42 123.34 2roh h ASP 72 Ca 0.24 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2roh h ASP 72 Cb 0.24 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2roh h ASP 72 CO -0.07 0.49 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.60 2roh h LEU 73 N 0.82 -0.26 -0.96 2.28 3.38 0.04 -0.50 115.31 120.11 2roh h LEU 73 Ca 0.25 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2roh h LEU 73 Cb 0.01 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2roh h LEU 73 CO -0.06 0.26 0.61 0.50 0.09 0.00 0.00 178.44 179.83 2roh h LYS 74 N -0.98 1.04 -0.25 1.13 1.63 -1.35 -1.56 116.57 116.24 2roh h LYS 74 Ca -0.03 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.54 2roh h LYS 74 Cb 0.44 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2roh h LYS 74 CO 0.05 0.69 -0.52 0.22 -3.45 0.00 0.00 179.45 176.44 2roh h ASP 75 N 1.08 0.78 -0.57 4.20 3.58 -0.53 -2.13 116.42 122.83 2roh h ASP 75 Ca 0.43 -0.41 0.01 0.00 0.42 0.00 0.00 57.03 57.48 2roh h ASP 75 Cb 0.23 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2roh h ASP 75 CO -0.19 1.16 0.36 0.11 -2.88 0.00 0.00 179.24 177.80 2roh h LYS 76 N 0.55 0.71 -0.02 0.28 1.79 -0.17 0.15 116.57 119.86 2roh h LYS 76 Ca 0.02 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2roh h LYS 76 Cb 1.09 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2roh h LYS 76 CO 0.11 0.47 -0.01 2.35 -1.08 0.00 0.00 179.45 181.29 2roh h TRP 77 N 0.73 0.06 -0.37 -1.35 7.01 -1.30 -1.74 115.95 118.99 2roh h TRP 77 Ca 0.22 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.25 2roh h TRP 77 Cb -0.04 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 26.97 2roh h TRP 77 CO -0.04 0.48 0.13 -0.22 -2.79 0.00 0.00 178.44 175.99 2roh h LYS 78 N -0.38 0.27 0.23 2.65 1.63 -1.23 -0.06 116.57 119.68 2roh h LYS 78 Ca 0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2roh h LYS 78 Cb 0.47 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2roh h LYS 78 CO 0.00 0.18 -0.11 1.15 -3.45 0.00 0.00 179.45 177.22 2roh h THR 79 N 0.28 0.79 -0.30 1.00 2.02 -0.73 -2.00 112.91 113.97 2roh h THR 79 Ca 0.17 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.35 2roh h THR 79 Cb 0.14 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2roh h THR 79 CO -0.17 0.01 0.21 0.17 0.37 0.00 0.00 175.52 176.11 2roh h LEU 80 N -0.34 0.09 -0.21 2.58 8.10 -1.07 -1.77 115.31 122.68 2roh h LEU 80 Ca -0.03 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.90 2roh h LEU 80 Cb 0.26 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.46 2roh h LEU 80 CO 0.05 0.06 -0.09 0.58 -4.11 0.00 0.00 178.44 174.93 2roh h VAL 81 N 0.10 1.30 -0.81 0.15 2.07 -0.48 -0.47 116.25 118.11 2roh h VAL 81 Ca 0.14 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2roh h VAL 81 Cb 0.42 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2roh h VAL 81 CO -0.01 0.34 0.40 -0.74 0.02 0.00 0.00 177.57 177.58 2roh h HIS 82 N 0.15 1.16 0.00 1.57 -0.00 -0.63 0.28 115.15 117.68 2roh h HIS 82 Ca 0.05 -0.05 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 2roh h HIS 82 Cb 0.56 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.59 2roh h HIS 82 CO 0.06 0.84 -0.61 1.15 -0.00 0.00 0.00 177.93 179.37 2roh h THR 83 N 1.15 1.43 -0.00 6.26 2.02 -1.34 0.36 112.91 122.80 2roh h THR 83 Ca 0.28 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.36 2roh h THR 83 Cb 0.10 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2roh h THR 83 CO -0.04 0.60 -0.22 0.00 0.37 0.00 0.00 175.52 176.23 2roh n ALA 84 N -2.42 2.93 -0.09 6.16 0.00 -0.19 -3.90 120.51 123.00 2roh n ALA 84 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 2roh n ALA 84 Cb 0.61 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.24 1.95 -4.22 0.00 2.88 0.04 -5.01 113.62 108.03 2roh n SER 85 Ca 0.10 -0.06 -0.32 0.00 -1.33 0.00 0.00 58.87 57.26 2roh n SER 85 Cb 0.32 0.20 0.17 0.00 -0.75 0.00 0.00 64.21 64.15 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 -2.85 0.00 -0.80 2.46 -5.35 0.09 -4.89 119.36 108.02 2roh n ILE 86 Ca -0.30 -0.27 -0.33 0.00 -0.27 0.00 0.00 62.75 61.57 2roh n ILE 86 Cb 0.92 -0.57 0.12 0.00 -1.74 0.00 0.00 39.64 38.37 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 -4.42 -2.87 0.21 -1.28 0.00 -1.26 -4.70 120.51 106.19 2roh n ALA 87 Ca 0.01 -0.65 0.07 0.00 0.00 0.00 0.00 53.44 52.87 2roh n ALA 87 Cb 0.62 -1.74 0.45 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.56 0.00 0.00 0.00 0.13 -1.94 -1.30 132.00 127.34 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2roh h PRO 88 CO 0.34 0.29 -0.49 -0.56 -0.23 0.00 0.00 178.00 177.35 2roh h GLN 89 N 0.00 0.00 -0.00 0.86 3.07 -2.01 -3.29 115.11 113.75 2roh h GLN 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2roh h GLN 89 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.28 2roh h GLN 89 CO 0.04 0.00 -0.86 1.04 0.09 0.00 0.00 178.83 179.13 2roh n GLN 90 N -2.30 0.76 -0.70 0.06 6.02 -1.02 -4.25 117.38 115.95 2roh n GLN 90 Ca 0.03 -0.07 0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2roh n GLN 90 Cb 0.46 -1.40 0.28 0.00 1.02 0.00 0.00 30.24 30.60 2roh n GLN 90 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2roh n ARG 91 N -1.35 3.60 -2.20 -1.09 1.85 -0.52 -4.91 116.66 112.04 2roh n ARG 91 Ca 0.04 -2.30 -0.42 0.00 -1.00 0.00 0.00 57.85 54.16 2roh n ARG 91 Cb 0.31 -2.04 -0.03 0.00 -1.05 0.00 0.00 32.46 29.65 2roh n ARG 91 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2roh s ARG 92 N -2.32 4.33 0.00 2.89 1.70 -1.26 -4.87 118.95 119.43 2roh s ARG 92 Ca 0.40 2.03 0.00 0.00 -0.47 0.00 0.00 55.73 57.70 2roh s ARG 92 Cb 0.31 -3.29 0.00 0.00 -0.57 0.00 0.00 34.95 31.40 2roh s ARG 92 CO 0.11 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.31 2roh n GLY 93 N 3.48 1.43 3.94 3.88 0.00 -1.26 -5.16 105.19 111.50 2roh n GLY 93 Ca 0.11 0.26 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.00 3.70 -0.58 4.61 0.00 -1.26 -5.01 121.76 122.21 2roh s ALA 94 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 2roh s ALA 94 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 2roh s ALA 94 CO 0.00 -0.06 1.84 -1.25 0.00 0.00 0.00 175.76 176.29 2roh s PRO 95 N -4.35 2.71 0.22 0.00 0.04 -1.26 -4.97 135.00 127.39 2roh s PRO 95 Ca 0.41 0.69 0.11 0.00 0.04 0.00 0.00 61.00 62.25 2roh s PRO 95 Cb -0.10 -4.36 -0.05 0.00 0.04 0.00 0.00 34.50 30.04 2roh s PRO 95 CO 0.36 -2.63 -0.22 0.14 0.04 0.00 0.00 177.00 174.69 2roh s VAL 96 N 8.79 2.36 0.24 -0.36 -7.23 -1.26 -5.05 120.40 117.89 2roh s VAL 96 Ca 0.68 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 2roh s VAL 96 Cb -0.13 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.55 2roh s VAL 96 CO 0.22 -0.22 1.28 -2.16 -0.31 0.00 0.00 175.10 173.91 2roh s PRO 97 N -2.94 4.42 0.33 4.82 0.04 -1.26 -4.93 135.00 135.47 2roh s PRO 97 Ca 0.23 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.35 2roh s PRO 97 Cb -0.07 -3.17 0.57 0.00 0.04 0.00 0.00 34.50 31.87 2roh s PRO 97 CO 0.11 -0.17 1.89 -0.56 0.04 0.00 0.00 177.00 178.31 2roh h GLN 98 N 4.75 0.64 -0.91 4.56 3.07 -2.00 -2.61 115.11 122.61 2roh h GLN 98 Ca -0.46 -0.11 0.11 0.00 0.09 0.00 0.00 58.65 58.28 2roh h GLN 98 Cb 1.22 -0.11 -0.08 0.00 0.08 0.00 0.00 27.48 28.59 2roh h GLN 98 CO 0.73 0.59 0.54 1.05 0.09 0.00 0.00 178.83 181.83 2roh h GLU 99 N 0.63 0.85 -0.97 0.06 4.11 -1.98 -0.53 114.58 116.75 2roh h GLU 99 Ca 0.14 -0.05 0.07 0.00 0.07 0.00 0.00 59.36 59.59 2roh h GLU 99 Cb 0.24 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 2roh h GLU 99 CO -0.00 0.56 0.62 -0.07 0.07 0.00 0.00 179.01 180.19 2roh h LEU 100 N 0.88 0.98 -0.52 3.06 4.07 -1.86 0.12 115.31 122.03 2roh h LEU 100 Ca 0.45 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 58.31 2roh h LEU 100 Cb 0.43 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 2roh h LEU 100 CO -0.26 0.62 -0.52 -0.07 -1.08 0.00 0.00 178.44 177.12 2roh h LEU 101 N 1.11 0.00 -0.20 1.67 -0.00 -1.23 -2.16 115.31 114.49 2roh h LEU 101 Ca 0.42 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 58.09 2roh h LEU 101 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2roh h LEU 101 CO -0.18 0.52 -0.91 -0.78 -0.00 0.00 0.00 178.44 177.09 2roh h ASP 102 N 0.00 0.51 0.02 -0.43 3.58 0.28 -1.65 116.42 118.73 2roh h ASP 102 Ca -0.01 -0.40 -0.21 0.00 0.42 0.00 0.00 57.03 56.84 2roh h ASP 102 Cb 1.18 -0.16 0.02 0.00 1.72 0.00 0.00 39.33 42.09 2roh h ASP 102 CO 0.07 1.19 -0.82 0.08 -2.88 0.00 0.00 179.24 176.88 2roh h ARG 103 N 0.23 0.51 -0.40 0.28 0.11 -0.81 -1.46 114.38 112.85 2roh h ARG 103 Ca -0.07 -0.59 -0.13 0.00 0.10 0.00 0.00 59.98 59.29 2roh h ARG 103 Cb 1.54 0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.78 2roh h ARG 103 CO 0.16 1.21 -0.28 -0.39 0.10 0.00 0.00 179.97 180.77 2roh h VAL 104 N 0.07 1.27 0.08 0.08 -1.51 -1.47 -1.21 116.25 113.57 2roh h VAL 104 Ca -0.11 -1.43 -0.00 0.00 -1.23 0.00 0.00 66.70 63.93 2roh h VAL 104 Cb 1.52 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 2roh h VAL 104 CO 0.16 0.48 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.87 2roh h LEU 105 N 0.72 -0.09 -0.54 4.19 3.38 -1.37 -1.36 115.31 120.23 2roh h LEU 105 Ca 0.09 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.62 2roh h LEU 105 Cb 0.82 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 2roh h LEU 105 CO 0.07 0.47 0.28 0.00 0.09 0.00 0.00 178.44 179.36 2roh h ALA 106 N 0.10 0.70 -0.40 1.53 0.00 -1.31 -1.76 119.26 118.12 2roh h ALA 106 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2roh h ALA 106 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2roh h ALA 106 CO 0.02 -0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.30 2roh h ALA 107 N 1.29 0.53 -0.33 0.00 0.00 -1.28 0.12 119.26 119.58 2roh h ALA 107 Ca 0.24 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2roh h ALA 107 Cb 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2roh h ALA 107 CO -0.16 0.22 -0.01 0.37 0.00 0.00 0.00 179.25 179.67 2roh h GLN 108 N 0.50 0.07 -0.29 0.00 5.75 -0.81 0.23 115.11 120.57 2roh h GLN 108 Ca 0.12 -0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.44 2roh h GLN 108 Cb 0.34 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.87 2roh h GLN 108 CO 0.00 0.05 -0.52 0.00 -2.65 0.00 0.00 178.83 175.72 2roh h ALA 109 N 1.29 0.45 -0.77 3.38 0.00 -1.25 -2.11 119.26 120.25 2roh h ALA 109 Ca 0.16 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2roh h ALA 109 Cb 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2roh h ALA 109 CO -0.28 0.65 0.51 1.88 0.00 0.00 0.00 179.25 182.01 2roh h TYR 110 N 0.64 0.96 0.00 0.00 -1.99 -0.26 -1.45 116.97 114.87 2roh h TYR 110 Ca 0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2roh h TYR 110 Cb 1.13 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 39.53 2roh h TYR 110 CO 0.07 0.60 0.00 -1.49 -0.00 0.00 0.00 178.16 177.34 2roh h TRP 111 N 1.03 0.00 -4.08 4.88 -0.00 -0.55 -3.45 115.95 113.77 2roh h TRP 111 Ca 0.28 0.00 -0.47 0.00 -0.00 0.00 0.00 58.89 58.70 2roh h TRP 111 Cb -0.11 0.00 0.03 0.00 -0.00 0.00 0.00 29.16 29.08 2roh h TRP 111 CO -0.02 0.00 0.38 0.45 -0.00 0.00 0.00 178.44 179.25 2roh s SER 112 N -5.68 6.30 -0.13 -3.49 0.15 -0.55 -4.94 113.70 105.36 2roh s SER 112 Ca 0.05 1.92 0.16 0.00 0.70 0.00 0.00 55.95 58.78 2roh s SER 112 Cb 0.08 -2.56 -0.23 0.00 -1.71 0.00 0.00 66.02 61.60 2roh s SER 112 CO 0.60 -0.81 0.14 1.33 1.20 0.00 0.00 173.24 175.70 2roh n VAL 113 N -1.05 0.87 -3.81 4.45 0.24 -1.26 -4.91 118.33 112.86 2roh n VAL 113 Ca 0.09 -0.64 -0.26 0.00 -2.04 0.00 0.00 64.34 61.49 2roh n VAL 113 Cb 0.53 -0.39 -0.17 0.00 -1.47 0.00 0.00 33.84 32.33 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 -4.82 2.38 -1.03 -1.34 2.15 -1.26 -5.08 116.67 107.67 2roh s ASP 114 Ca -0.08 -0.48 -0.18 0.00 0.43 0.00 0.00 52.55 52.24 2roh s ASP 114 Cb 0.07 -0.66 0.12 0.00 -0.30 0.00 0.00 42.92 42.15 2roh s ASP 114 CO 0.71 -0.22 1.28 -0.55 -0.17 0.00 0.00 175.17 176.23 2roh s SER 115 N 1.82 6.73 -0.56 -0.34 0.15 -1.26 -4.94 113.70 115.29 2roh s SER 115 Ca 0.02 -2.21 -0.04 0.00 0.70 0.00 0.00 55.95 54.42 2roh s SER 115 Cb -0.14 -2.44 0.15 0.00 -1.71 0.00 0.00 66.02 61.88 2roh s SER 115 CO -0.07 -1.06 0.38 -0.55 1.20 0.00 0.00 173.24 173.14 2roh s SER 116 N 3.68 5.35 0.00 5.45 0.15 -1.26 -4.67 113.70 122.39 2roh s SER 116 Ca 0.38 -2.54 0.00 0.00 0.70 0.00 0.00 55.95 54.49 2roh s SER 116 Cb -0.03 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2roh s SER 116 CO -0.06 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2roh n GLY 117 N 3.93 0.60 2.72 9.45 0.00 -1.26 -5.08 105.19 115.55 2roh n GLY 117 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 2roh n GLY 117 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2roh n ARG 118 N 0.00 1.44 0.00 1.61 0.00 -1.26 -4.89 116.66 113.56 2roh n ARG 118 Ca 0.00 -2.04 0.02 0.00 -0.00 0.00 0.00 57.85 55.83 2roh n ARG 118 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 32.46 32.16 2roh n ARG 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2roh n ILE 119 N -1.11 0.00 -2.88 5.15 -0.00 -1.26 -4.76 119.36 114.50 2roh n ILE 119 Ca -0.08 -0.43 -0.38 0.00 -0.00 0.00 0.00 62.75 61.86 2roh n ILE 119 Cb 0.85 1.03 -0.00 0.00 -0.00 0.00 0.00 39.64 41.51 2roh n ILE 119 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 2roh n VAL 120 N -0.74 5.03 -1.13 1.39 0.24 -1.26 -4.74 118.33 117.12 2roh n VAL 120 Ca 0.01 -5.84 -0.10 0.00 -2.04 0.00 0.00 64.34 56.38 2roh n VAL 120 Cb 0.08 -1.75 0.26 0.00 -1.47 0.00 0.00 33.84 30.97 2roh n VAL 120 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2roh n THR 121 N 0.43 2.96 1.37 3.34 -1.04 -1.26 -4.94 114.28 115.14 2roh n THR 121 Ca 0.36 -1.81 0.13 0.00 -2.04 0.00 0.00 64.05 60.69 2roh n THR 121 Cb 0.32 -0.38 0.42 0.00 -1.82 0.00 0.00 70.33 68.86 2roh n THR 121 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43