#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roh s SER 2 N 0.00 4.14 0.68 1.61 1.04 -1.26 -5.13 113.70 114.79 2roh s SER 2 Ca 0.00 -0.83 -0.14 0.00 0.48 0.00 0.00 55.95 55.46 2roh s SER 2 Cb 0.00 -0.60 0.01 0.00 0.10 0.00 0.00 66.02 65.53 2roh s SER 2 CO 0.00 -0.01 1.11 -2.16 0.98 0.00 0.00 173.24 173.15 2roh s PRO 3 N -3.62 2.68 0.09 4.02 0.04 -1.26 -5.07 135.00 131.88 2roh s PRO 3 Ca 0.31 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.75 2roh s PRO 3 Cb -0.05 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2roh s PRO 3 CO 0.18 -1.34 -0.15 -0.06 0.04 0.00 0.00 177.00 175.67 2roh s PHE 4 N -2.46 1.32 -1.15 0.56 0.08 -1.26 -4.85 117.98 110.21 2roh s PHE 4 Ca 0.66 -0.48 -0.06 0.00 0.12 0.00 0.00 56.93 57.16 2roh s PHE 4 Cb -0.20 -0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 2roh s PHE 4 CO 0.45 0.09 0.87 0.00 -0.10 0.00 0.00 175.22 176.53 2roh n ALA 5 N 1.06 -2.30 -2.67 5.36 0.00 -1.26 -5.01 120.51 115.68 2roh n ALA 5 Ca -0.19 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 2roh n ALA 5 Cb 0.55 -3.97 -0.07 0.00 0.00 0.00 0.00 19.45 15.96 2roh n ALA 5 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2roh s ASP 6 N -3.82 4.71 0.16 0.00 1.47 -1.26 -5.05 116.67 112.88 2roh s ASP 6 Ca 0.27 -0.58 -0.09 0.00 1.18 0.00 0.00 52.55 53.33 2roh s ASP 6 Cb -0.05 -0.94 0.01 0.00 -0.34 0.00 0.00 42.92 41.60 2roh s ASP 6 CO 0.78 -0.01 1.50 1.55 0.68 0.00 0.00 175.17 179.67 2roh h PRO 7 N 1.82 0.87 -5.36 2.11 0.13 -2.03 -3.48 132.00 126.06 2roh h PRO 7 Ca -0.45 -0.45 -0.29 0.00 -0.87 0.00 0.00 66.00 63.94 2roh h PRO 7 Cb 1.25 0.01 0.16 0.00 0.13 0.00 0.00 31.00 32.55 2roh h PRO 7 CO 0.60 1.10 -0.73 -1.71 -0.23 0.00 0.00 178.00 177.03 2roh n ASN 8 N -4.05 -2.77 -4.74 1.44 5.15 -1.26 -4.92 115.26 104.11 2roh n ASN 8 Ca -0.02 -0.59 -0.41 0.00 -0.60 0.00 0.00 54.58 52.96 2roh n ASN 8 Cb 0.54 -4.80 0.01 0.00 -0.53 0.00 0.00 39.78 34.99 2roh n ASN 8 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2roh n SER 9 N -3.00 3.23 -4.58 1.20 7.64 -1.26 -5.00 113.62 111.85 2roh n SER 9 Ca -0.23 1.17 -0.27 0.00 1.01 0.00 0.00 58.87 60.54 2roh n SER 9 Cb 0.65 -1.57 0.12 0.00 -1.01 0.00 0.00 64.21 62.40 2roh n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2roh s LEU 10 N -2.00 2.76 0.40 -3.43 1.43 -1.26 -4.98 118.68 111.60 2roh s LEU 10 Ca 0.58 0.29 0.21 0.00 -1.03 0.00 0.00 54.13 54.18 2roh s LEU 10 Cb -0.49 -2.63 0.72 0.00 0.03 0.00 0.00 46.19 43.82 2roh s LEU 10 CO 0.60 -2.12 1.74 0.00 0.23 0.00 0.00 176.35 176.81 2roh h ALA 11 N -1.05 0.96 -4.71 4.21 0.00 -2.06 -3.49 119.26 113.13 2roh h ALA 11 Ca -0.43 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.22 2roh h ALA 11 Cb 1.28 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2roh h ALA 11 CO 0.49 0.37 -1.31 -0.11 0.00 0.00 0.00 179.25 178.69 2roh n LEU 12 N -3.39 -5.88 0.00 0.00 0.00 -1.26 -5.06 117.00 101.40 2roh n LEU 12 Ca 0.00 2.25 -0.23 0.00 0.00 0.00 0.00 56.01 58.04 2roh n LEU 12 Cb 0.49 -3.07 0.01 0.00 0.00 0.00 0.00 43.42 40.85 2roh n LEU 12 CO 0.35 -3.42 0.10 0.00 0.00 0.00 0.00 177.39 174.43 2roh n ALA 13 N 1.58 0.82 -2.88 1.96 0.00 -1.26 -5.15 120.51 115.59 2roh n ALA 13 Ca -0.29 -1.97 -0.18 0.00 0.00 0.00 0.00 53.44 50.99 2roh n ALA 13 Cb 0.44 0.78 -0.15 0.00 0.00 0.00 0.00 19.45 20.52 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 -3.96 0.96 0.18 0.00 2.47 -1.26 -5.16 114.94 108.17 2roh s ASN 14 Ca 0.32 -0.15 0.08 0.00 0.42 0.00 0.00 52.86 53.53 2roh s ASN 14 Cb -0.03 -0.18 -0.04 0.00 -1.45 0.00 0.00 41.25 39.55 2roh s ASN 14 CO 0.20 0.07 -0.02 0.68 -3.72 0.00 0.00 177.10 174.32 2roh s VAL 15 N 0.02 3.63 0.73 -5.21 -7.23 -1.26 -5.12 120.40 105.96 2roh s VAL 15 Ca 0.00 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 2roh s VAL 15 Cb -0.05 -2.82 0.04 0.00 0.56 0.00 0.00 36.38 34.10 2roh s VAL 15 CO -0.00 -0.12 1.10 -2.16 -0.31 0.00 0.00 175.10 173.61 2roh s PRO 16 N -2.95 2.44 -0.18 4.82 0.04 -1.26 -5.07 135.00 132.84 2roh s PRO 16 Ca 0.27 1.25 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 2roh s PRO 16 Cb -0.09 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.63 2roh s PRO 16 CO 0.18 -1.51 0.86 -1.17 0.04 0.00 0.00 177.00 175.40 2roh s LEU 17 N -5.55 -0.55 0.00 -3.56 2.96 -1.26 -5.18 118.68 105.54 2roh s LEU 17 Ca 0.63 0.82 0.05 0.00 -0.22 0.00 0.00 54.13 55.41 2roh s LEU 17 Cb -0.18 2.18 0.05 0.00 0.50 0.00 0.00 46.19 48.73 2roh s LEU 17 CO 0.51 -0.35 0.43 -0.24 -1.32 0.00 0.00 176.35 175.38 2roh n SER 18 N 1.55 1.56 -3.72 3.68 2.88 -1.26 -5.15 113.62 113.16 2roh n SER 18 Ca -0.14 -2.03 -0.14 0.00 -1.33 0.00 0.00 58.87 55.23 2roh n SER 18 Cb 0.57 -0.19 -0.09 0.00 -0.75 0.00 0.00 64.21 63.74 2roh n SER 18 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2roh s ARG 19 N -3.57 0.58 0.04 -1.46 1.81 -1.26 -5.17 118.95 109.91 2roh s ARG 19 Ca 0.32 0.42 0.01 0.00 -1.72 0.00 0.00 55.73 54.77 2roh s ARG 19 Cb -0.03 0.27 -0.02 0.00 -0.45 0.00 0.00 34.95 34.72 2roh s ARG 19 CO 0.21 -0.10 -0.06 -1.12 -0.68 0.00 0.00 175.30 173.54 2roh s SER 20 N -0.18 0.65 0.31 0.23 0.01 -1.26 -5.16 113.70 108.30 2roh s SER 20 Ca -0.03 -0.58 -0.14 0.00 1.31 0.00 0.00 55.95 56.50 2roh s SER 20 Cb -0.03 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.29 2roh s SER 20 CO 0.02 -0.27 0.63 -1.59 0.41 0.00 0.00 173.24 172.43 2roh s LYS 21 N -1.80 1.86 -0.13 12.44 0.00 -1.26 -5.18 119.74 125.67 2roh s LYS 21 Ca -0.10 -1.32 -0.13 0.00 0.00 0.00 0.00 55.97 54.42 2roh s LYS 21 Cb -0.08 0.55 0.04 0.00 0.00 0.00 0.00 37.83 38.33 2roh s LYS 21 CO -0.01 -0.82 0.37 0.50 0.00 0.00 0.00 175.35 175.39 2roh s ARG 22 N -3.37 0.45 0.30 1.78 3.52 -1.26 -5.17 118.95 115.20 2roh s ARG 22 Ca 0.19 0.48 -0.05 0.00 -0.13 0.00 0.00 55.73 56.22 2roh s ARG 22 Cb -0.03 0.22 0.07 0.00 -1.56 0.00 0.00 34.95 33.65 2roh s ARG 22 CO 0.11 -0.06 0.27 -0.35 -0.81 0.00 0.00 175.30 174.46 2roh n PRO 23 N 2.78 -1.55 -4.03 5.12 -0.04 -1.26 -5.10 135.00 130.93 2roh n PRO 23 Ca -0.14 -0.43 -0.08 0.00 -0.04 0.00 0.00 63.50 62.82 2roh n PRO 23 Cb 0.57 -0.40 -0.10 0.00 -0.04 0.00 0.00 33.50 33.53 2roh n PRO 23 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2roh s ASP 24 N -2.23 0.35 0.21 3.54 2.15 -1.26 -5.17 116.67 114.26 2roh s ASP 24 Ca 0.17 -0.73 0.02 0.00 0.43 0.00 0.00 52.55 52.44 2roh s ASP 24 Cb -0.02 0.15 -0.05 0.00 -0.30 0.00 0.00 42.92 42.71 2roh s ASP 24 CO 0.13 -0.45 0.04 -0.36 -0.17 0.00 0.00 175.17 174.36 2roh s PHE 25 N -2.66 1.36 0.06 -5.34 0.08 -1.26 -5.07 117.98 105.15 2roh s PHE 25 Ca -0.05 -1.08 -0.09 0.00 0.12 0.00 0.00 56.93 55.83 2roh s PHE 25 Cb -0.01 -0.78 0.03 0.00 -0.57 0.00 0.00 43.02 41.69 2roh s PHE 25 CO -0.05 -0.25 0.43 0.41 -0.10 0.00 0.00 175.22 175.65 2roh n GLY 26 N -0.34 0.91 3.48 4.36 0.00 -1.26 -5.17 105.19 107.17 2roh n GLY 26 Ca -0.04 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.02 0.57 0.62 1.61 -2.07 -1.26 -5.13 119.66 111.99 2roh s GLN 27 Ca 0.10 1.03 0.04 0.00 -1.82 0.00 0.00 55.36 54.70 2roh s GLN 27 Cb -0.01 0.08 0.09 0.00 -1.09 0.00 0.00 33.01 32.08 2roh s GLN 27 CO 0.02 -0.15 0.85 0.50 -1.32 0.00 0.00 175.29 175.19 2roh s ARG 28 N 1.49 2.13 1.32 9.60 3.52 -1.26 -5.09 118.95 130.66 2roh s ARG 28 Ca -0.09 -1.26 -0.20 0.00 -0.13 0.00 0.00 55.73 54.04 2roh s ARG 28 Cb -0.06 -2.51 0.31 0.00 -1.56 0.00 0.00 34.95 31.13 2roh s ARG 28 CO -0.16 -1.02 0.73 2.89 -0.81 0.00 0.00 175.30 176.93 2roh n ARG 29 N -2.46 -3.86 -2.70 5.12 1.85 -1.26 -4.89 116.66 108.46 2roh n ARG 29 Ca 0.14 -1.14 -0.43 0.00 -1.00 0.00 0.00 57.85 55.42 2roh n ARG 29 Cb 0.61 -1.84 -0.03 0.00 -1.05 0.00 0.00 32.46 30.15 2roh n ARG 29 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2roh s ILE 30 N -2.15 4.39 0.72 8.89 -1.09 -1.26 -5.03 121.20 125.67 2roh s ILE 30 Ca 0.60 1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 60.16 2roh s ILE 30 Cb -0.13 -4.48 0.12 0.00 -1.58 0.00 0.00 42.46 36.39 2roh s ILE 30 CO 0.53 -0.80 0.99 -0.13 -1.23 0.00 0.00 174.94 174.30 2roh s ARG 31 N 3.98 1.71 0.27 2.79 0.52 -1.26 -5.12 118.95 121.84 2roh s ARG 31 Ca 0.43 -1.02 0.09 0.00 -0.52 0.00 0.00 55.73 54.70 2roh s ARG 31 Cb -0.09 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2roh s ARG 31 CO 0.26 -1.43 0.07 1.03 0.02 0.00 0.00 175.30 175.24 2roh s ARG 32 N -5.15 2.48 0.34 3.54 0.52 -1.26 -5.11 118.95 114.32 2roh s ARG 32 Ca 0.66 -1.33 -0.28 0.00 -0.52 0.00 0.00 55.73 54.27 2roh s ARG 32 Cb -0.06 -2.28 -0.09 0.00 0.52 0.00 0.00 34.95 33.04 2roh s ARG 32 CO 0.44 0.35 1.21 -1.25 0.02 0.00 0.00 175.30 176.08 2roh s PRO 33 N -3.74 4.31 0.33 3.54 0.04 -1.26 -5.02 135.00 133.20 2roh s PRO 33 Ca 0.32 2.00 0.09 0.00 0.04 0.00 0.00 61.00 63.46 2roh s PRO 33 Cb -0.06 -2.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 2roh s PRO 33 CO 0.22 -0.15 -0.03 -0.59 0.04 0.00 0.00 177.00 176.49 2roh s PHE 34 N -1.24 2.51 0.09 0.56 -0.12 -1.26 -5.14 117.98 113.38 2roh s PHE 34 Ca 0.51 -0.41 -0.01 0.00 -0.05 0.00 0.00 56.93 56.96 2roh s PHE 34 Cb -0.35 -1.38 -0.04 0.00 -0.63 0.00 0.00 43.02 40.62 2roh s PHE 34 CO 0.45 0.54 0.26 0.99 -0.05 0.00 0.00 175.22 177.41 2roh s THR 35 N -2.51 5.33 0.35 -4.49 2.01 -1.26 -4.95 115.64 110.12 2roh s THR 35 Ca 0.33 -0.31 0.11 0.00 0.31 0.00 0.00 61.69 62.14 2roh s THR 35 Cb -0.01 -3.64 0.34 0.00 0.01 0.00 0.00 72.50 69.20 2roh s THR 35 CO 0.18 0.09 1.81 1.62 -0.69 0.00 0.00 174.62 177.63 2roh h VAL 36 N 2.02 0.70 -0.04 3.82 3.04 -1.99 0.20 116.25 124.01 2roh h VAL 36 Ca -0.46 -0.21 -0.04 0.00 -1.01 0.00 0.00 66.70 64.99 2roh h VAL 36 Cb 1.16 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2roh h VAL 36 CO 0.74 0.11 -0.12 0.00 -1.01 0.00 0.00 177.57 177.30 2roh h ALA 37 N 1.62 0.07 -0.74 3.17 0.00 -1.99 -1.58 119.26 119.81 2roh h ALA 37 Ca 0.53 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2roh h ALA 37 Cb 1.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2roh h ALA 37 CO -0.29 -0.04 0.48 0.93 0.00 0.00 0.00 179.25 180.33 2roh h GLU 38 N -0.41 0.92 -0.31 0.00 4.39 -1.68 -1.49 114.58 116.01 2roh h GLU 38 Ca -0.00 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2roh h GLU 38 Cb 0.74 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2roh h GLU 38 CO 0.02 0.61 -0.08 0.28 -1.16 0.00 0.00 179.01 178.68 2roh h VAL 39 N 0.95 1.28 0.01 3.13 2.07 -0.70 -0.54 116.25 122.45 2roh h VAL 39 Ca 0.29 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.70 2roh h VAL 39 Cb -0.04 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2roh h VAL 39 CO -0.09 0.36 -0.16 -0.33 0.02 0.00 0.00 177.57 177.38 2roh h GLU 40 N 0.37 -0.25 -0.55 1.57 5.08 -0.94 0.23 114.58 120.07 2roh h GLU 40 Ca 0.08 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2roh h GLU 40 Cb 0.57 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2roh h GLU 40 CO 0.03 -0.17 0.12 -0.07 -1.00 0.00 0.00 179.01 177.92 2roh h LEU 41 N -0.26 0.85 -0.30 1.33 3.38 -1.29 -1.60 115.31 117.43 2roh h LEU 41 Ca 0.05 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2roh h LEU 41 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2roh h LEU 41 CO -0.14 0.88 0.19 0.25 0.09 0.00 0.00 178.44 179.71 2roh h LEU 42 N 0.79 0.33 -0.70 1.67 5.85 -0.73 -0.58 115.31 121.94 2roh h LEU 42 Ca 0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2roh h LEU 42 Cb 0.37 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2roh h LEU 42 CO 0.01 0.24 0.30 0.58 -0.34 0.00 0.00 178.44 179.23 2roh h VAL 43 N 0.40 1.24 -0.10 1.05 2.07 -0.44 -2.34 116.25 118.12 2roh h VAL 43 Ca 0.11 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2roh h VAL 43 Cb -0.04 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2roh h VAL 43 CO -0.03 0.30 -0.20 -0.08 0.02 0.00 0.00 177.57 177.58 2roh h GLU 44 N 0.99 0.17 -0.04 1.57 4.81 -0.96 0.33 114.58 121.46 2roh h GLU 44 Ca 0.24 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2roh h GLU 44 Cb 0.17 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2roh h GLU 44 CO -0.02 0.37 0.00 0.00 -0.73 0.00 0.00 179.01 178.63 2roh h ALA 45 N 1.64 0.05 0.01 2.92 0.00 -0.58 0.31 119.26 123.61 2roh h ALA 45 Ca 0.03 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 2roh h ALA 45 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2roh h ALA 45 CO 0.03 -0.31 -0.92 -0.24 0.00 0.00 0.00 179.25 177.81 2roh h VAL 46 N -0.20 1.59 -0.13 0.00 3.04 -1.33 -3.30 116.25 115.92 2roh h VAL 46 Ca 0.01 -2.93 -0.12 0.00 -1.01 0.00 0.00 66.70 62.65 2roh h VAL 46 Cb 0.28 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.18 2roh h VAL 46 CO 0.00 0.84 -0.40 -0.08 -1.01 0.00 0.00 177.57 176.93 2roh h GLU 47 N 0.04 0.49 -0.97 4.17 4.81 -0.31 0.51 114.58 123.32 2roh h GLU 47 Ca -0.03 -0.36 0.26 0.00 -0.13 0.00 0.00 59.36 59.10 2roh h GLU 47 Cb 1.59 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.97 2roh h GLU 47 CO 0.13 0.98 0.66 1.25 -0.73 0.00 0.00 179.01 181.30 2roh h HIS 48 N 0.09 0.29 0.00 0.92 2.76 -0.45 0.93 115.15 119.69 2roh h HIS 48 Ca -0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2roh h HIS 48 Cb 1.02 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2roh h HIS 48 CO 0.11 0.05 -0.94 1.28 -1.30 0.00 0.00 177.93 177.13 2roh n LEU 49 N -4.40 0.51 0.00 0.26 4.77 -1.18 -5.02 117.00 111.93 2roh n LEU 49 Ca 0.21 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2roh n LEU 49 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2roh n LEU 49 CO 0.34 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2roh n GLY 50 N 1.42 1.50 2.74 -0.72 0.00 0.18 -3.61 105.19 106.70 2roh n GLY 50 Ca 0.01 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.00 2.61 -1.04 -1.26 -4.67 114.28 109.92 2roh n THR 51 Ca 0.00 -1.49 0.00 0.00 -2.04 0.00 0.00 64.05 60.52 2roh n THR 51 Cb 0.00 1.49 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 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 1.18 1.25 3.71 3.41 0.00 -1.24 -5.09 105.19 108.40 2roh n GLY 52 Ca 0.08 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 1.13 4.14 0.40 1.61 0.52 -1.26 -4.97 118.95 120.52 2roh s ARG 53 Ca 0.00 -0.24 0.20 0.00 -0.52 0.00 0.00 55.73 55.17 2roh s ARG 53 Cb 0.00 -3.41 0.81 0.00 0.52 0.00 0.00 34.95 32.88 2roh s ARG 53 CO 0.00 0.26 1.80 0.11 0.02 0.00 0.00 175.30 177.49 2roh h TRP 54 N 6.79 0.00 -0.64 -0.53 0.09 -1.98 -3.11 115.95 116.56 2roh h TRP 54 Ca -0.40 0.00 0.06 0.00 0.09 0.00 0.00 58.89 58.64 2roh h TRP 54 Cb 1.15 0.00 -0.06 0.00 0.08 0.00 0.00 29.16 30.34 2roh h TRP 54 CO 0.59 0.32 0.33 0.07 0.09 0.00 0.00 178.44 179.84 2roh h ARG 55 N 0.00 0.59 0.00 0.12 0.11 -1.93 -0.17 114.38 113.11 2roh h ARG 55 Ca -0.00 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 2roh h ARG 55 Cb 0.79 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.73 2roh h ARG 55 CO 0.04 0.39 -0.13 -0.44 0.10 0.00 0.00 179.97 179.94 2roh h ASP 56 N 0.61 0.00 0.02 0.08 5.19 -1.94 -1.92 116.42 118.46 2roh h ASP 56 Ca 0.29 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 2roh h ASP 56 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2roh h ASP 56 CO -0.20 0.13 -0.01 0.58 -3.12 0.00 0.00 179.24 176.62 2roh h VAL 57 N 0.00 1.31 -0.29 -1.35 2.07 -1.13 0.34 116.25 117.20 2roh h VAL 57 Ca -0.00 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 2roh h VAL 57 Cb 0.28 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2roh h VAL 57 CO 0.02 0.27 -0.08 0.50 0.02 0.00 0.00 177.57 178.29 2roh h LYS 58 N -0.48 0.47 0.02 1.57 3.64 -1.21 0.27 116.57 120.85 2roh h LYS 58 Ca -0.00 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 2roh h LYS 58 Cb 0.46 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2roh h LYS 58 CO 0.00 0.56 -0.50 0.74 -2.27 0.00 0.00 179.45 177.98 2roh h PHE 59 N 0.44 0.46 -0.32 1.91 0.04 -1.33 -3.13 116.94 115.00 2roh h PHE 59 Ca 0.09 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.52 2roh h PHE 59 Cb 0.41 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2roh h PHE 59 CO 0.01 1.10 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.68 2roh h ARG 60 N -0.32 0.61 0.05 1.51 9.65 -0.20 -3.22 114.38 122.46 2roh h ARG 60 Ca -0.07 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2roh h ARG 60 Cb 1.26 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.79 2roh h ARG 60 CO 0.10 0.78 -0.14 0.00 2.80 0.00 0.00 179.97 183.51 2roh h ALA 61 N 0.81 -0.70 -0.36 2.80 0.00 -0.57 -3.45 119.26 117.80 2roh h ALA 61 Ca 0.08 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2roh h ALA 61 Cb 0.54 0.54 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 2roh h ALA 61 CO 0.03 -0.73 -0.13 -0.06 0.00 0.00 0.00 179.25 178.35 2roh s PHE 62 N -3.73 -0.64 -0.22 0.00 0.08 -1.18 -4.91 117.98 107.37 2roh s PHE 62 Ca -0.04 0.20 -0.06 0.00 0.12 0.00 0.00 56.93 57.15 2roh s PHE 62 Cb 0.02 0.11 -0.17 0.00 -0.57 0.00 0.00 43.02 42.41 2roh s PHE 62 CO 0.16 -0.41 3.36 -0.85 -0.10 0.00 0.00 175.22 177.38 2roh n GLU 63 N 4.32 2.24 0.00 0.44 0.00 -1.22 -3.52 120.64 122.91 2roh n GLU 63 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 57.16 55.79 2roh n GLU 63 Cb 0.60 -2.09 0.00 0.00 0.00 0.00 0.00 31.44 29.95 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 2.14 0.00 -3.04 -1.84 5.15 -1.26 -5.11 115.26 111.29 2roh n ASN 64 Ca 0.47 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.38 2roh n ASN 64 Cb 0.78 0.08 0.06 0.00 -0.53 0.00 0.00 39.78 40.17 2roh n ASN 64 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2roh n VAL 65 N -1.67 0.00 -1.41 3.44 0.24 -1.23 -4.82 118.33 112.88 2roh n VAL 65 Ca 0.00 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 2roh n VAL 65 Cb 0.00 -0.21 -0.08 0.00 -1.47 0.00 0.00 33.84 32.08 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 -3.60 1.32 -0.63 6.34 8.25 -1.26 -4.98 115.22 120.66 2roh n HIS 66 Ca 0.03 -1.92 -0.31 0.00 -0.26 0.00 0.00 57.72 55.26 2roh n HIS 66 Cb 0.13 -1.47 0.18 0.00 1.12 0.00 0.00 29.99 29.94 2roh n HIS 66 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2roh n HIS 67 N 1.32 -1.54 0.00 4.41 1.44 -1.26 -5.02 115.22 114.57 2roh n HIS 67 Ca 0.49 0.08 0.00 0.00 -2.01 0.00 0.00 57.72 56.28 2roh n HIS 67 Cb 0.61 -1.55 0.00 0.00 0.12 0.00 0.00 29.99 29.17 2roh n HIS 67 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2roh n ARG 68 N -2.35 0.00 -3.47 -1.40 5.12 -1.26 -5.13 116.66 108.17 2roh n ARG 68 Ca 0.01 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.79 2roh n ARG 68 Cb 0.60 -0.11 -0.04 0.00 -1.16 0.00 0.00 32.46 31.75 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 -0.43 0.00 0.09 0.55 2.01 -1.26 -5.01 115.64 111.59 2roh s THR 69 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2roh s THR 69 Cb 0.00 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.39 2roh s THR 69 CO 0.00 0.00 1.46 1.88 -0.69 0.00 0.00 174.62 177.27 2roh h TYR 70 N 2.40 -1.31 -0.47 4.92 0.05 -1.97 -0.53 116.97 120.05 2roh h TYR 70 Ca -0.29 0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.62 2roh h TYR 70 Cb 1.23 0.57 -0.03 0.00 1.01 0.00 0.00 36.73 39.52 2roh h TYR 70 CO 0.29 -0.48 0.32 -0.24 -1.05 0.00 0.00 178.16 177.01 2roh h VAL 71 N -0.56 0.89 -0.51 -2.88 3.04 -1.98 -1.61 116.25 112.64 2roh h VAL 71 Ca 0.01 -0.09 0.03 0.00 -1.01 0.00 0.00 66.70 65.64 2roh h VAL 71 Cb 0.60 0.60 -0.04 0.00 -2.01 0.00 0.00 31.29 30.45 2roh h VAL 71 CO -0.30 0.05 0.28 -0.78 -1.01 0.00 0.00 177.57 175.82 2roh h ASP 72 N 0.27 0.43 0.06 3.17 1.82 -1.52 0.24 116.42 120.89 2roh h ASP 72 Ca 0.22 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.87 2roh h ASP 72 Cb 0.51 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.45 2roh h ASP 72 CO -0.04 0.30 -0.03 -0.07 -1.61 0.00 0.00 179.24 177.79 2roh h LEU 73 N 0.56 -0.07 -0.40 2.28 3.38 -0.47 -1.01 115.31 119.58 2roh h LEU 73 Ca 0.22 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.84 2roh h LEU 73 Cb 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2roh h LEU 73 CO -0.13 0.38 0.11 0.50 0.09 0.00 0.00 178.44 179.39 2roh h LYS 74 N -0.53 0.24 -0.54 1.13 3.64 -1.28 -1.62 116.57 117.61 2roh h LYS 74 Ca -0.01 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2roh h LYS 74 Cb 0.47 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2roh h LYS 74 CO 0.01 0.16 0.07 0.22 -2.27 0.00 0.00 179.45 177.64 2roh h ASP 75 N 0.25 0.82 -0.59 4.20 1.82 -0.55 -2.18 116.42 120.18 2roh h ASP 75 Ca 0.19 -0.18 0.03 0.00 -0.39 0.00 0.00 57.03 56.68 2roh h ASP 75 Cb 0.21 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 39.96 2roh h ASP 75 CO -0.23 0.84 0.36 0.50 -1.61 0.00 0.00 179.24 179.10 2roh h LYS 76 N 0.81 0.69 -0.04 0.28 1.63 -0.29 -1.26 116.57 118.40 2roh h LYS 76 Ca 0.17 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2roh h LYS 76 Cb 0.39 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2roh h LYS 76 CO 0.01 0.46 -0.00 2.35 -3.45 0.00 0.00 179.45 178.81 2roh h TRP 77 N 0.71 0.07 -0.70 1.91 7.01 -1.10 -1.96 115.95 121.89 2roh h TRP 77 Ca 0.24 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.35 2roh h TRP 77 Cb 0.03 -0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 26.98 2roh h TRP 77 CO -0.06 0.38 0.27 -0.22 -2.79 0.00 0.00 178.44 176.02 2roh h LYS 78 N -0.25 0.41 0.15 2.65 1.63 -1.18 0.14 116.57 120.12 2roh h LYS 78 Ca 0.01 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2roh h LYS 78 Cb 0.35 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2roh h LYS 78 CO 0.00 0.27 -0.07 1.15 -3.45 0.00 0.00 179.45 177.36 2roh h THR 79 N 0.43 0.95 -0.27 1.00 2.02 -1.17 -2.16 112.91 113.71 2roh h THR 79 Ca 0.37 -0.42 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2roh h THR 79 Cb 0.53 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2roh h THR 79 CO -0.37 0.10 0.18 0.17 0.37 0.00 0.00 175.52 175.97 2roh h LEU 80 N -0.39 0.12 -0.12 2.58 8.10 -0.74 -1.89 115.31 122.97 2roh h LEU 80 Ca -0.02 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.94 2roh h LEU 80 Cb 0.31 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 2roh h LEU 80 CO 0.03 0.08 -0.05 0.58 -4.11 0.00 0.00 178.44 174.97 2roh h VAL 81 N 0.14 1.31 -0.90 0.15 2.07 -0.45 -0.58 116.25 117.99 2roh h VAL 81 Ca 0.12 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2roh h VAL 81 Cb 0.30 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2roh h VAL 81 CO -0.02 0.30 0.55 -0.74 0.02 0.00 0.00 177.57 177.68 2roh h HIS 82 N -0.10 1.19 -0.01 1.57 -0.00 -0.75 0.03 115.15 117.10 2roh h HIS 82 Ca 0.03 -0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.27 2roh h HIS 82 Cb 0.50 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 2roh h HIS 82 CO 0.06 0.79 -0.60 1.15 -0.00 0.00 0.00 177.93 179.33 2roh h THR 83 N 1.25 1.43 -0.00 6.26 2.02 -1.33 -0.09 112.91 122.44 2roh h THR 83 Ca 0.32 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.45 2roh h THR 83 Cb -0.05 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2roh h THR 83 CO -0.06 0.59 -0.18 0.00 0.37 0.00 0.00 175.52 176.24 2roh n ALA 84 N -2.43 2.82 -0.09 6.16 0.00 -0.23 -3.82 120.51 122.92 2roh n ALA 84 Ca -0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 2roh n ALA 84 Cb 0.60 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.30 1.75 -3.45 0.00 3.41 -0.06 -5.01 113.62 108.96 2roh n SER 85 Ca 0.09 -0.06 -0.25 0.00 -0.26 0.00 0.00 58.87 58.39 2roh n SER 85 Cb 0.31 0.24 0.23 0.00 -0.26 0.00 0.00 64.21 64.73 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 -2.87 0.00 -0.78 -1.33 -5.35 -0.07 -4.91 119.36 104.03 2roh n ILE 86 Ca -0.32 -0.05 -0.33 0.00 -0.27 0.00 0.00 62.75 61.79 2roh n ILE 86 Cb 0.95 -0.79 0.13 0.00 -1.74 0.00 0.00 39.64 38.19 2roh n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2roh n ALA 87 N -5.22 -2.66 -0.09 -1.28 0.00 -1.26 -4.73 120.51 105.27 2roh n ALA 87 Ca 0.10 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 2roh n ALA 87 Cb 0.49 -1.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.61 0.63 0.00 0.00 0.13 -1.93 -0.90 132.00 128.33 2roh h PRO 88 Ca -0.44 -0.33 -0.02 0.00 -0.87 0.00 0.00 66.00 64.33 2roh h PRO 88 Cb 1.29 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2roh h PRO 88 CO 0.35 0.94 -0.10 -0.56 -0.23 0.00 0.00 178.00 178.39 2roh h GLN 89 N 0.35 0.00 0.00 0.86 3.07 -2.01 -1.89 115.11 115.50 2roh h GLN 89 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.70 2roh h GLN 89 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.37 2roh h GLN 89 CO 0.06 0.10 -1.25 1.04 0.09 0.00 0.00 178.83 178.88 2roh n GLN 90 N -3.97 0.62 -1.73 0.06 1.13 -1.15 -4.60 117.38 107.73 2roh n GLN 90 Ca -0.02 0.16 -0.40 0.00 -1.94 0.00 0.00 57.00 54.80 2roh n GLN 90 Cb 0.19 -1.81 -0.03 0.00 0.11 0.00 0.00 30.24 28.70 2roh n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2roh n ARG 91 N -2.77 2.18 -2.96 -1.09 0.63 -0.35 -4.74 116.66 107.55 2roh n ARG 91 Ca -0.05 -2.42 -0.32 0.00 -0.92 0.00 0.00 57.85 54.14 2roh n ARG 91 Cb 0.70 -3.28 -0.03 0.00 0.45 0.00 0.00 32.46 30.30 2roh n ARG 91 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2roh n ARG 92 N 7.25 3.74 -0.95 -0.14 1.85 -1.26 -4.97 116.66 122.18 2roh n ARG 92 Ca 0.49 -4.76 -0.05 0.00 -1.00 0.00 0.00 57.85 52.53 2roh n ARG 92 Cb 0.42 -2.32 0.03 0.00 -1.05 0.00 0.00 32.46 29.54 2roh n ARG 92 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2roh n GLY 93 N 0.12 0.45 3.44 2.89 0.00 -1.26 -5.05 105.19 105.78 2roh n GLY 93 Ca 0.34 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 2roh n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2roh n ALA 94 N -3.01 -2.44 -1.82 4.61 0.00 -1.26 -4.77 120.51 111.81 2roh n ALA 94 Ca -0.04 -0.64 -0.32 0.00 0.00 0.00 0.00 53.44 52.44 2roh n ALA 94 Cb 0.13 -1.84 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 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 -2.10 1.54 -4.40 0.00 -0.04 -1.26 -4.90 135.00 123.84 2roh n PRO 95 Ca 0.07 -2.30 -0.24 0.00 -0.04 0.00 0.00 63.50 61.00 2roh n PRO 95 Cb 0.54 -3.52 -0.11 0.00 -0.04 0.00 0.00 33.50 30.36 2roh n PRO 95 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2roh s VAL 96 N 9.63 2.18 0.70 0.52 -7.23 -1.26 -5.01 120.40 119.94 2roh s VAL 96 Ca 0.66 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 2roh s VAL 96 Cb 0.03 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.91 2roh s VAL 96 CO 0.14 -0.29 1.10 -2.16 -0.31 0.00 0.00 175.10 173.58 2roh s PRO 97 N -3.01 2.58 0.52 4.82 0.04 -1.26 -4.93 135.00 133.77 2roh s PRO 97 Ca 0.22 1.31 0.22 0.00 0.04 0.00 0.00 61.00 62.79 2roh s PRO 97 Cb -0.06 -1.93 1.42 0.00 0.04 0.00 0.00 34.50 33.97 2roh s PRO 97 CO 0.10 -1.41 2.13 1.96 0.04 0.00 0.00 177.00 179.82 2roh h GLN 98 N -0.42 0.00 -0.73 4.56 4.20 -2.00 -2.63 115.11 118.08 2roh h GLN 98 Ca -0.45 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.40 2roh h GLN 98 Cb 1.24 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.92 2roh h GLN 98 CO 0.53 0.07 0.25 1.05 -0.67 0.00 0.00 178.83 180.06 2roh h GLU 99 N 0.00 0.36 -0.83 1.46 4.11 -1.98 0.18 114.58 117.88 2roh h GLU 99 Ca -0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.48 2roh h GLU 99 Cb 0.15 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2roh h GLU 99 CO 0.01 0.24 0.50 -0.07 0.07 0.00 0.00 179.01 179.76 2roh h LEU 100 N 0.37 0.76 -0.58 3.06 3.38 -1.85 0.22 115.31 120.67 2roh h LEU 100 Ca 0.40 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.30 2roh h LEU 100 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2roh h LEU 100 CO -0.43 0.46 -0.48 -0.07 0.09 0.00 0.00 178.44 178.01 2roh h LEU 101 N 0.88 0.00 -0.13 1.67 -0.00 -1.12 -2.23 115.31 114.39 2roh h LEU 101 Ca 0.38 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 58.02 2roh h LEU 101 Cb 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2roh h LEU 101 CO -0.20 0.48 -0.97 -0.78 -0.00 0.00 0.00 178.44 176.97 2roh h ASP 102 N 0.00 0.63 -0.07 -0.43 3.58 0.75 -1.52 116.42 119.36 2roh h ASP 102 Ca -0.00 -0.51 -0.20 0.00 0.42 0.00 0.00 57.03 56.74 2roh h ASP 102 Cb 1.12 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.99 2roh h ASP 102 CO 0.06 1.31 -0.75 0.08 -2.88 0.00 0.00 179.24 177.06 2roh h ARG 103 N 0.27 0.63 -0.38 0.28 0.11 -0.62 -0.81 114.38 113.86 2roh h ARG 103 Ca -0.09 -0.58 -0.15 0.00 0.10 0.00 0.00 59.98 59.25 2roh h ARG 103 Cb 1.61 0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.83 2roh h ARG 103 CO 0.17 1.20 -0.36 -0.39 0.10 0.00 0.00 179.97 180.69 2roh h VAL 104 N 0.28 1.27 0.10 0.08 -1.51 -1.48 -1.67 116.25 113.33 2roh h VAL 104 Ca -0.07 -1.53 -0.01 0.00 -1.23 0.00 0.00 66.70 63.86 2roh h VAL 104 Cb 1.40 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 2roh h VAL 104 CO 0.15 0.51 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.88 2roh h LEU 105 N 0.73 -0.12 -0.29 4.19 3.38 -1.34 -1.62 115.31 120.25 2roh h LEU 105 Ca 0.06 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.66 2roh h LEU 105 Cb 0.95 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2roh h LEU 105 CO 0.09 0.40 -0.00 0.00 0.09 0.00 0.00 178.44 179.02 2roh h ALA 106 N 0.09 0.25 -0.57 1.53 0.00 -1.21 -1.84 119.26 117.51 2roh h ALA 106 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2roh h ALA 106 Cb 0.53 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2roh h ALA 106 CO 0.02 -0.41 0.32 0.00 0.00 0.00 0.00 179.25 179.18 2roh h ALA 107 N 1.25 0.72 -0.55 0.00 0.00 -1.37 0.98 119.26 120.29 2roh h ALA 107 Ca 0.14 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2roh h ALA 107 Cb 0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2roh h ALA 107 CO -0.24 0.23 0.17 0.37 0.00 0.00 0.00 179.25 179.78 2roh h GLN 108 N 0.76 0.32 -0.17 0.00 -0.00 -0.73 -0.66 115.11 114.62 2roh h GLN 108 Ca 0.20 -0.02 -0.21 0.00 -0.00 0.00 0.00 58.65 58.62 2roh h GLN 108 Cb 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 27.48 27.44 2roh h GLN 108 CO -0.03 0.21 -0.73 0.00 0.00 0.00 0.00 178.83 178.27 2roh h ALA 109 N 1.40 0.37 -0.77 3.38 0.00 -1.08 -0.22 119.26 122.33 2roh h ALA 109 Ca 0.27 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 54.68 2roh h ALA 109 Cb 0.35 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2roh h ALA 109 CO -0.31 0.69 0.43 1.88 0.00 0.00 0.00 179.25 181.95 2roh h TYR 110 N 0.54 0.79 0.00 0.00 0.05 -0.13 -1.33 116.97 116.89 2roh h TYR 110 Ca -0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2roh h TYR 110 Cb 1.35 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2roh h TYR 110 CO 0.08 0.33 -0.66 -1.49 -1.05 0.00 0.00 178.16 175.37 2roh h TRP 111 N 0.75 0.00 0.00 4.88 -0.00 -1.16 -3.40 115.95 117.02 2roh h TRP 111 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.26 2roh h TRP 111 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.47 2roh h TRP 111 CO -0.07 0.00 0.00 0.45 -0.00 0.00 0.00 178.44 178.82 2roh n SER 112 N -2.69 0.00 0.00 -3.49 2.88 -0.10 -4.89 113.62 105.34 2roh n SER 112 Ca 0.02 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2roh n SER 112 Cb 0.52 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2roh n SER 112 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2roh n VAL 113 N -1.00 0.00 0.00 2.46 0.31 -1.13 -5.08 118.33 113.89 2roh n VAL 113 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2roh n VAL 113 Cb 0.00 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 -2.46 0.00 -3.51 4.52 2.03 -1.25 -5.03 116.55 110.84 2roh n ASP 114 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2roh n ASP 114 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2roh n ASP 114 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2roh s SER 115 N -3.12 -0.02 -0.19 1.67 1.04 -1.25 -4.43 113.70 107.40 2roh s SER 115 Ca 0.00 -0.52 -0.00 0.00 0.48 0.00 0.00 55.95 55.91 2roh s SER 115 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2roh s SER 115 CO 0.00 -0.80 -0.16 -0.55 0.98 0.00 0.00 173.24 172.71 2roh s SER 116 N -3.39 3.43 0.00 7.02 0.15 -1.26 -4.83 113.70 114.81 2roh s SER 116 Ca 0.22 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2roh s SER 116 Cb -0.01 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2roh s SER 116 CO 0.03 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2roh n GLY 117 N 4.64 -0.23 3.30 9.45 0.00 -1.26 -5.03 105.19 116.06 2roh n GLY 117 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -6.75 0.00 1.61 0.63 -1.26 -4.90 116.66 105.99 2roh n ARG 118 Ca 0.00 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 2roh n ARG 118 Cb 0.00 -5.48 0.00 0.00 0.45 0.00 0.00 32.46 27.43 2roh n ARG 118 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2roh n ILE 119 N -4.48 0.00 -3.03 5.15 -5.35 -1.26 -5.05 119.36 105.34 2roh n ILE 119 Ca -0.06 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.06 2roh n ILE 119 Cb 0.58 -0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 37.79 2roh n ILE 119 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2roh s VAL 120 N -1.85 4.49 -0.42 7.28 -7.23 -1.26 -5.04 120.40 116.38 2roh s VAL 120 Ca 0.00 1.40 0.05 0.00 -1.81 0.00 0.00 61.98 61.62 2roh s VAL 120 Cb 0.00 -3.89 0.19 0.00 0.56 0.00 0.00 36.38 33.25 2roh s VAL 120 CO 0.00 0.19 0.44 0.41 -0.31 0.00 0.00 175.10 175.83 2roh n THR 121 N 0.67 -0.94 0.00 5.32 -1.04 -1.26 -5.21 114.28 111.81 2roh n THR 121 Ca -0.01 -3.29 0.00 0.00 -2.04 0.00 0.00 64.05 58.70 2roh n THR 121 Cb 0.51 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 2roh n THR 121 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61