#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rya s MET 2 N 0.00 0.49 -0.16 2.12 -2.45 -1.26 -4.89 119.30 113.15 1rya s MET 2 Ca 0.00 -0.10 -0.29 0.00 -1.25 0.00 0.00 55.69 54.05 1rya s MET 2 Cb 0.00 0.07 -0.00 0.00 1.25 0.00 0.00 34.83 36.15 1rya s MET 2 CO 0.00 -0.73 1.08 0.12 1.05 0.00 0.00 175.02 176.54 1rya s PHE 3 N 2.04 3.31 0.24 4.11 5.36 -1.26 -4.46 117.98 127.30 1rya s PHE 3 Ca 0.16 1.41 -0.17 0.00 -0.96 0.00 0.00 56.93 57.37 1rya s PHE 3 Cb -0.01 -3.30 -0.08 0.00 -0.34 0.00 0.00 43.02 39.29 1rya s PHE 3 CO -0.13 -0.67 0.68 -0.51 -1.46 0.00 0.00 175.22 173.14 1rya s LEU 4 N 2.77 4.26 0.55 6.12 1.43 -1.26 -5.05 118.68 127.49 1rya s LEU 4 Ca 0.48 1.29 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 1rya s LEU 4 Cb -0.18 -3.67 -0.06 0.00 0.03 0.00 0.00 46.19 42.31 1rya s LEU 4 CO 0.13 -0.03 0.99 0.54 0.23 0.00 0.00 176.35 178.21 1rya n ARG 5 N 0.39 1.06 -0.34 1.70 1.74 -1.26 -4.70 116.66 115.25 1rya n ARG 5 Ca -0.01 0.40 0.10 0.00 -0.77 0.00 0.00 57.85 57.57 1rya n ARG 5 Cb 0.52 -2.15 0.28 0.00 -1.02 0.00 0.00 32.46 30.08 1rya n ARG 5 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1rya h GLN 6 N 0.81 0.75 -0.77 5.56 4.20 -1.98 0.25 115.11 123.92 1rya h GLN 6 Ca -0.48 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.20 1rya h GLN 6 Cb 1.35 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 1rya h GLN 6 CO 0.53 0.50 0.50 1.49 -0.67 0.00 0.00 178.83 181.17 1rya h GLU 7 N 0.77 0.98 -0.05 1.46 4.81 -2.00 0.02 114.58 120.58 1rya h GLU 7 Ca 0.53 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.48 1rya h GLU 7 Cb 0.74 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1rya h GLU 7 CO -0.35 0.65 -0.87 -0.44 -0.73 0.00 0.00 179.01 177.27 1rya h ASP 8 N 1.01 0.65 -0.58 1.04 3.45 -1.57 -2.68 116.42 117.74 1rya h ASP 8 Ca 0.29 -0.47 -0.06 0.00 0.43 0.00 0.00 57.03 57.22 1rya h ASP 8 Cb -0.08 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.47 1rya h ASP 8 CO -0.08 1.26 0.15 0.15 -1.57 0.00 0.00 179.24 179.15 1rya h PHE 9 N 0.32 1.00 -0.31 4.55 3.57 -0.70 -1.05 116.94 124.32 1rya h PHE 9 Ca -0.07 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1rya h PHE 9 Cb 1.49 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1rya h PHE 9 CO 0.07 0.82 0.16 0.00 -2.23 0.00 0.00 178.31 177.13 1rya h ALA 10 N 1.24 0.40 -0.65 2.41 0.00 -0.94 0.33 119.26 122.05 1rya h ALA 10 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rya h ALA 10 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1rya h ALA 10 CO -0.00 -0.06 0.42 1.15 0.00 0.00 0.00 179.25 180.76 1rya h THR 11 N 0.37 1.18 0.20 0.00 2.02 -1.16 -0.97 112.91 114.55 1rya h THR 11 Ca 0.11 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1rya h THR 11 Cb 0.09 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1rya h THR 11 CO -0.02 0.17 -0.14 0.58 0.37 0.00 0.00 175.52 176.49 1rya h VAL 12 N 0.88 0.70 -0.69 3.16 2.07 -0.81 -1.98 116.25 119.58 1rya h VAL 12 Ca 0.24 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.69 1rya h VAL 12 Cb -0.07 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1rya h VAL 12 CO -0.05 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.28 1rya h VAL 13 N -0.34 1.26 -0.68 2.57 2.07 -0.74 -1.40 116.25 118.98 1rya h VAL 13 Ca -0.01 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1rya h VAL 13 Cb 0.30 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1rya h VAL 13 CO 0.00 0.37 0.45 0.03 0.02 0.00 0.00 177.57 178.44 1rya h ARG 14 N 1.04 0.78 0.00 1.57 3.08 -1.09 -3.35 114.38 116.41 1rya h ARG 14 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1rya h ARG 14 Cb 0.37 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1rya h ARG 14 CO 0.00 0.52 -1.35 0.43 -1.07 0.00 0.00 179.97 178.50 1rya n SER 15 N -4.46 1.17 -3.44 7.04 7.64 -0.70 -4.96 113.62 115.91 1rya n SER 15 Ca 0.09 -0.31 -0.12 0.00 1.01 0.00 0.00 58.87 59.54 1rya n SER 15 Cb 0.14 1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 64.77 1rya n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1rya s THR 16 N -2.85 0.00 0.39 0.44 -1.32 -0.61 -5.07 115.64 106.62 1rya s THR 16 Ca -0.02 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.20 1rya s THR 16 Cb 0.11 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.01 1rya s THR 16 CO 0.64 0.00 1.25 -2.16 -2.21 0.00 0.00 174.62 172.14 1rya s PRO 17 N -3.48 4.09 0.52 7.08 0.04 -1.26 -4.59 135.00 137.40 1rya s PRO 17 Ca 0.00 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1rya s PRO 17 Cb -0.01 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 1rya s PRO 17 CO -0.11 -0.35 0.99 -0.51 0.04 0.00 0.00 177.00 177.06 1rya s LEU 18 N -2.29 3.60 -0.11 -3.56 1.43 0.51 -4.93 118.68 113.33 1rya s LEU 18 Ca 0.55 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 55.25 1rya s LEU 18 Cb -0.36 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.34 1rya s LEU 18 CO 0.46 -0.63 -0.18 -0.69 0.23 0.00 0.00 176.35 175.54 1rya s VAL 19 N -2.64 2.62 0.14 -1.59 1.01 -1.26 -0.73 120.40 117.96 1rya s VAL 19 Ca 0.59 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1rya s VAL 19 Cb -0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1rya s VAL 19 CO 0.32 0.54 0.07 -0.94 0.00 0.00 0.00 175.10 175.10 1rya s SER 20 N 0.29 0.29 -0.13 3.32 1.04 -0.35 -0.38 113.70 117.77 1rya s SER 20 Ca -0.13 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.06 1rya s SER 20 Cb -0.16 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1rya s SER 20 CO 0.07 -0.75 -0.15 -0.76 0.98 0.00 0.00 173.24 172.63 1rya s LEU 21 N -3.07 2.56 -0.06 2.42 1.43 -0.14 -0.56 118.68 121.27 1rya s LEU 21 Ca 0.27 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1rya s LEU 21 Cb 0.07 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1rya s LEU 21 CO 0.04 0.14 -0.09 -1.81 0.23 0.00 0.00 176.35 174.86 1rya s ASP 22 N 0.47 4.46 -0.25 2.29 1.11 -0.51 -1.10 116.67 123.15 1rya s ASP 22 Ca -0.11 -0.08 -0.06 0.00 0.18 0.00 0.00 52.55 52.49 1rya s ASP 22 Cb -0.16 -1.07 -0.01 0.00 1.07 0.00 0.00 42.92 42.76 1rya s ASP 22 CO 0.05 0.35 0.02 -0.36 1.18 0.00 0.00 175.17 176.42 1rya s PHE 23 N -0.80 3.06 -0.59 4.23 2.99 -0.27 -0.93 117.98 125.68 1rya s PHE 23 Ca 0.12 -0.87 -0.19 0.00 0.00 0.00 0.00 56.93 56.00 1rya s PHE 23 Cb -0.11 -2.18 0.10 0.00 0.00 0.00 0.00 43.02 40.83 1rya s PHE 23 CO 0.01 -0.52 0.71 0.42 -0.00 0.00 0.00 175.22 175.84 1rya s ILE 24 N 1.51 4.80 -0.26 0.64 1.09 0.07 -4.08 121.20 124.96 1rya s ILE 24 Ca 0.04 -0.92 -0.05 0.00 -1.10 0.00 0.00 60.65 58.62 1rya s ILE 24 Cb -0.16 -4.48 -0.00 0.00 -1.06 0.00 0.00 42.46 36.76 1rya s ILE 24 CO 0.00 -1.12 0.02 -0.69 -0.10 0.00 0.00 174.94 173.06 1rya s VAL 25 N 2.75 3.75 0.03 2.92 1.01 -1.26 -1.65 120.40 127.94 1rya s VAL 25 Ca 0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1rya s VAL 25 Cb -0.23 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1rya s VAL 25 CO 0.07 0.26 0.13 -0.70 0.00 0.00 0.00 175.10 174.86 1rya s GLU 26 N 1.50 3.18 0.34 2.72 2.12 -0.34 -1.03 118.70 127.19 1rya s GLU 26 Ca 0.04 -0.49 0.05 0.00 0.36 0.00 0.00 54.97 54.94 1rya s GLU 26 Cb -0.16 -2.92 0.05 0.00 0.26 0.00 0.00 34.13 31.37 1rya s GLU 26 CO 0.00 0.63 0.44 0.27 -0.54 0.00 0.00 175.26 176.06 1rya n ASN 27 N 0.80 1.33 0.05 -1.70 0.23 -0.11 -0.73 115.26 115.13 1rya n ASN 27 Ca -0.10 -1.93 0.09 0.00 -0.53 0.00 0.00 54.58 52.12 1rya n ASN 27 Cb 0.52 -0.22 0.40 0.00 -2.08 0.00 0.00 39.78 38.40 1rya n ASN 27 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1rya n SER 28 N -2.52 0.28 -1.00 0.53 3.41 -1.25 -2.04 113.62 111.04 1rya n SER 28 Ca 0.08 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.36 1rya n SER 28 Cb 0.35 -0.63 0.21 0.00 -0.26 0.00 0.00 64.21 63.88 1rya n SER 28 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rya n ARG 29 N -1.81 2.44 -0.76 4.33 1.74 -1.26 -4.97 116.66 116.36 1rya n ARG 29 Ca 0.03 -2.20 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 1rya n ARG 29 Cb 0.21 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1rya n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rya n GLY 30 N 1.19 0.61 3.92 -0.13 0.00 -0.87 -5.06 105.19 104.86 1rya n GLY 30 Ca 0.17 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1rya n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rya s GLU 31 N -0.35 3.35 0.06 1.61 2.02 -1.26 -4.66 118.70 119.47 1rya s GLU 31 Ca 0.00 -0.08 0.09 0.00 0.02 0.00 0.00 54.97 55.00 1rya s GLU 31 Cb 0.00 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 1rya s GLU 31 CO 0.00 -0.21 -0.24 -0.06 0.02 0.00 0.00 175.26 174.78 1rya s PHE 32 N -2.65 2.06 -0.09 1.61 0.40 0.79 -0.94 117.98 119.16 1rya s PHE 32 Ca 0.47 -0.39 -0.25 0.00 -0.60 0.00 0.00 56.93 56.15 1rya s PHE 32 Cb -0.10 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 1rya s PHE 32 CO 0.42 0.15 0.80 -1.17 0.70 0.00 0.00 175.22 176.11 1rya s LEU 33 N -1.41 4.28 -0.02 -0.37 2.96 -0.20 -1.04 118.68 122.89 1rya s LEU 33 Ca 0.10 1.27 0.05 0.00 -0.22 0.00 0.00 54.13 55.32 1rya s LEU 33 Cb -0.10 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1rya s LEU 33 CO 0.03 -0.24 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.90 1rya s LEU 34 N 1.31 1.99 0.12 -0.68 1.43 -0.22 -4.44 118.68 118.19 1rya s LEU 34 Ca 0.40 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 1rya s LEU 34 Cb -0.18 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 1rya s LEU 34 CO 0.18 0.18 -0.10 -0.83 0.23 0.00 0.00 176.35 176.01 1rya s GLY 35 N -0.26 1.77 -0.49 -3.19 0.00 -0.13 -1.05 107.32 103.96 1rya s GLY 35 Ca 0.04 -1.30 -0.22 0.00 0.00 0.00 0.00 44.72 43.24 1rya s GLY 35 CO 0.00 -1.29 0.76 1.25 0.00 0.00 0.00 173.10 173.82 1rya s LYS 36 N -2.36 3.27 0.22 2.90 2.20 -0.29 -0.85 119.74 124.84 1rya s LYS 36 Ca 0.22 -0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 1rya s LYS 36 Cb -0.11 -4.02 -0.09 0.00 -1.51 0.00 0.00 37.83 32.10 1rya s LYS 36 CO 0.14 -1.24 1.34 1.03 -0.36 0.00 0.00 175.35 176.26 1rya s ARG 37 N 3.20 4.36 -0.00 4.03 0.52 -0.20 -1.71 118.95 129.15 1rya s ARG 37 Ca 0.24 2.12 0.19 0.00 -0.52 0.00 0.00 55.73 57.77 1rya s ARG 37 Cb -0.15 -3.16 -0.22 0.00 0.52 0.00 0.00 34.95 31.94 1rya s ARG 37 CO 0.18 -0.28 0.79 0.25 0.02 0.00 0.00 175.30 176.26 1rya n THR 38 N 2.37 0.00 -4.10 0.02 -2.24 -0.51 -0.46 114.28 109.35 1rya n THR 38 Ca 0.06 -0.08 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 1rya n THR 38 Cb 0.42 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 1rya n THR 38 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1rya s ASN 39 N -2.95 5.43 0.53 3.42 0.01 -1.26 -4.84 114.94 115.27 1rya s ASN 39 Ca 0.06 -0.18 -0.17 0.00 -0.71 0.00 0.00 52.86 51.86 1rya s ASN 39 Cb 0.15 -1.38 -0.07 0.00 0.41 0.00 0.00 41.25 40.35 1rya s ASN 39 CO 0.80 0.06 1.00 -0.13 -1.51 0.00 0.00 177.10 177.32 1rya s ARG 40 N -3.19 3.80 0.99 -0.60 0.52 -1.26 -3.06 118.95 116.14 1rya s ARG 40 Ca 0.31 1.04 -0.17 0.00 -0.52 0.00 0.00 55.73 56.39 1rya s ARG 40 Cb -0.10 -2.11 0.22 0.00 0.52 0.00 0.00 34.95 33.48 1rya s ARG 40 CO 0.23 -0.40 1.31 -1.25 0.02 0.00 0.00 175.30 175.21 1rya s PRO 41 N -4.00 0.38 -1.41 3.54 0.04 -1.26 -3.92 135.00 128.37 1rya s PRO 41 Ca 0.61 -0.41 -0.04 0.00 0.04 0.00 0.00 61.00 61.19 1rya s PRO 41 Cb -0.12 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1rya s PRO 41 CO 0.31 -2.59 0.35 0.00 0.04 0.00 0.00 177.00 175.11 1rya n ALA 42 N -3.89 -0.90 -1.80 8.56 0.00 -1.26 -4.92 120.51 116.29 1rya n ALA 42 Ca 0.16 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1rya n ALA 42 Cb 0.59 -2.80 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 1rya n ALA 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1rya s GLN 43 N -5.54 4.17 0.00 0.00 0.74 -1.17 -2.48 119.66 115.38 1rya s GLN 43 Ca 0.22 2.49 0.00 0.00 0.05 0.00 0.00 55.36 58.12 1rya s GLN 43 Cb -0.10 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1rya s GLN 43 CO 0.27 -0.59 0.00 0.41 -0.55 0.00 0.00 175.29 174.83 1rya n GLY 44 N 2.50 2.35 3.86 2.59 0.00 0.39 -4.99 105.19 111.89 1rya n GLY 44 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1rya n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rya s TYR 45 N -2.82 3.39 0.17 1.61 1.51 -1.03 -4.69 117.35 115.49 1rya s TYR 45 Ca 0.00 1.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.85 1rya s TYR 45 Cb 0.00 -2.44 -0.08 0.00 -0.11 0.00 0.00 41.96 39.34 1rya s TYR 45 CO 0.00 0.14 1.12 -1.58 -1.11 0.00 0.00 175.55 174.12 1rya s TRP 46 N -1.95 3.56 -0.03 2.71 0.52 -0.19 -1.03 118.94 122.52 1rya s TRP 46 Ca 0.52 1.56 -0.20 0.00 0.02 0.00 0.00 56.10 58.00 1rya s TRP 46 Cb -0.10 -3.31 0.04 0.00 -1.15 0.00 0.00 33.47 28.94 1rya s TRP 46 CO 0.19 -0.73 0.42 0.12 0.02 0.00 0.00 176.95 176.97 1rya s PHE 47 N -0.16 -0.33 0.69 -1.98 2.19 -0.03 -1.52 117.98 116.84 1rya s PHE 47 Ca 0.50 0.56 -0.16 0.00 0.33 0.00 0.00 56.93 58.16 1rya s PHE 47 Cb -0.30 0.19 0.02 0.00 -1.31 0.00 0.00 43.02 41.62 1rya s PHE 47 CO 0.35 -0.45 1.22 0.14 1.83 0.00 0.00 175.22 178.32 1rya s VAL 48 N -1.22 2.33 0.49 3.12 -7.23 -1.26 -0.96 120.40 115.67 1rya s VAL 48 Ca -0.12 0.18 -0.22 0.00 -1.81 0.00 0.00 61.98 60.00 1rya s VAL 48 Cb -0.04 -2.86 -0.07 0.00 0.56 0.00 0.00 36.38 33.98 1rya s VAL 48 CO 0.06 -0.07 1.17 -2.84 -0.31 0.00 0.00 175.10 173.10 1rya s PRO 49 N -3.71 3.61 0.00 4.82 0.02 -1.26 -4.85 135.00 133.64 1rya s PRO 49 Ca 0.76 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1rya s PRO 49 Cb -0.31 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1rya s PRO 49 CO 0.42 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1rya n GLY 50 N 0.39 0.80 3.80 0.52 0.00 -1.26 -1.11 105.19 108.33 1rya n GLY 50 Ca 0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 1rya n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rya s GLY 51 N 0.00 -0.10 0.40 -0.02 0.00 -0.25 -4.97 107.32 102.38 1rya s GLY 51 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.57 1rya s GLY 51 CO 0.00 1.08 0.79 1.09 0.00 0.00 0.00 173.10 176.05 1rya s ARG 52 N -2.71 3.85 0.02 2.90 1.70 -1.26 -0.97 118.95 122.47 1rya s ARG 52 Ca 0.17 0.57 -0.23 0.00 -0.47 0.00 0.00 55.73 55.77 1rya s ARG 52 Cb -0.01 -2.37 -0.05 0.00 -0.57 0.00 0.00 34.95 31.94 1rya s ARG 52 CO 0.03 -0.02 0.68 0.08 -1.08 0.00 0.00 175.30 174.99 1rya s VAL 53 N -2.32 4.82 0.50 4.99 1.01 0.48 -4.91 120.40 124.98 1rya s VAL 53 Ca 0.53 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.93 1rya s VAL 53 Cb -0.10 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1rya s VAL 53 CO 0.28 0.39 0.75 -1.10 0.00 0.00 0.00 175.10 175.42 1rya s GLN 54 N -0.12 2.94 0.15 2.72 -0.21 -1.26 -4.70 119.66 119.18 1rya s GLN 54 Ca 0.35 -0.41 -0.34 0.00 0.02 0.00 0.00 55.36 54.97 1rya s GLN 54 Cb -0.19 -2.47 -0.14 0.00 1.00 0.00 0.00 33.01 31.20 1rya s GLN 54 CO 0.20 -0.46 1.58 1.17 -2.12 0.00 0.00 175.29 175.66 1rya n LYS 55 N -2.25 2.12 -1.57 2.91 3.00 -1.26 -1.98 118.16 119.12 1rya n LYS 55 Ca 0.03 0.77 -0.18 0.00 -0.00 0.00 0.00 58.31 58.93 1rya n LYS 55 Cb 0.58 -2.53 -0.07 0.00 0.00 0.00 0.00 35.03 33.01 1rya n LYS 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1rya n ASP 56 N 3.46 -5.14 -4.68 3.14 8.00 -1.26 -1.81 116.55 118.26 1rya n ASP 56 Ca 0.17 0.41 -0.36 0.00 0.71 0.00 0.00 54.79 55.72 1rya n ASP 56 Cb 0.28 -4.20 -0.09 0.00 -0.02 0.00 0.00 41.12 37.10 1rya n ASP 56 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1rya s GLU 57 N -3.60 4.11 0.74 -1.24 2.12 -0.84 -3.68 118.70 116.32 1rya s GLU 57 Ca 0.00 -0.26 -0.12 0.00 0.36 0.00 0.00 54.97 54.96 1rya s GLU 57 Cb 0.00 -3.48 0.04 0.00 0.26 0.00 0.00 34.13 30.95 1rya s GLU 57 CO 0.00 0.16 1.10 0.95 -0.54 0.00 0.00 175.26 176.93 1rya s THR 58 N 0.76 3.28 0.36 -1.70 -4.23 -1.26 -4.76 115.64 108.09 1rya s THR 58 Ca 0.08 0.46 0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1rya s THR 58 Cb -0.12 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 70.98 1rya s THR 58 CO 0.02 -0.50 1.96 -0.07 -0.54 0.00 0.00 174.62 175.49 1rya h LEU 59 N -0.82 0.56 -0.18 4.79 3.38 -1.98 0.25 115.31 121.32 1rya h LEU 59 Ca -0.44 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1rya h LEU 59 Cb 1.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1rya h LEU 59 CO 0.52 0.51 0.08 -0.33 0.09 0.00 0.00 178.44 179.30 1rya h GLU 60 N 0.63 0.26 -0.45 1.13 3.07 -2.00 -0.24 114.58 116.98 1rya h GLU 60 Ca 0.15 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 1rya h GLU 60 Cb 0.11 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1rya h GLU 60 CO -0.02 0.31 -0.13 0.00 -1.40 0.00 0.00 179.01 177.77 1rya h ALA 61 N 0.94 0.63 -0.80 3.43 0.00 -1.81 -2.89 119.26 118.75 1rya h ALA 61 Ca 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1rya h ALA 61 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1rya h ALA 61 CO -0.01 0.54 0.45 0.00 0.00 0.00 0.00 179.25 180.23 1rya h ALA 62 N 0.87 1.28 -0.53 0.00 0.00 -0.79 -0.99 119.26 119.10 1rya h ALA 62 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rya h ALA 62 Cb 0.68 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1rya h ALA 62 CO 0.05 0.59 0.18 0.35 0.00 0.00 0.00 179.25 180.41 1rya h PHE 63 N 1.11 0.85 -0.34 0.00 3.57 -0.88 0.14 116.94 121.38 1rya h PHE 63 Ca 0.28 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1rya h PHE 63 Cb 0.01 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1rya h PHE 63 CO 0.01 0.72 -0.07 0.93 -2.23 0.00 0.00 178.31 177.67 1rya h GLU 64 N 0.73 0.65 -0.41 1.11 5.08 -1.29 -0.85 114.58 119.60 1rya h GLU 64 Ca 0.17 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1rya h GLU 64 Cb 0.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1rya h GLU 64 CO -0.01 0.81 0.19 -0.09 -1.00 0.00 0.00 179.01 178.91 1rya h ARG 65 N 0.44 0.59 -0.17 2.33 2.43 -0.90 -2.51 114.38 116.59 1rya h ARG 65 Ca 0.09 -0.09 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1rya h ARG 65 Cb 0.56 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1rya h ARG 65 CO 0.03 0.51 -0.75 -0.07 -1.51 0.00 0.00 179.97 178.18 1rya h LEU 66 N 0.52 0.95 -0.50 3.80 3.38 -0.72 0.33 115.31 123.07 1rya h LEU 66 Ca 0.14 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1rya h LEU 66 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1rya h LEU 66 CO -0.02 1.41 0.26 0.71 0.09 0.00 0.00 178.44 180.89 1rya h THR 67 N 0.56 1.18 -0.35 0.22 1.35 -1.18 0.14 112.91 114.83 1rya h THR 67 Ca -0.04 -0.47 -0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1rya h THR 67 Cb 1.38 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 1rya h THR 67 CO 0.16 0.19 0.20 -0.03 -0.25 0.00 0.00 175.52 175.79 1rya h MET 68 N 0.66 0.48 -0.39 4.72 1.85 -1.34 -0.01 114.93 120.90 1rya h MET 68 Ca 0.17 -0.05 -0.12 0.00 -0.61 0.00 0.00 59.70 59.09 1rya h MET 68 Cb 0.07 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 1rya h MET 68 CO -0.03 0.39 -0.24 0.00 -0.40 0.00 0.00 176.91 176.64 1rya h ALA 69 N 1.07 0.86 0.05 0.39 0.00 -0.73 -0.57 119.26 120.33 1rya h ALA 69 Ca 0.12 -0.38 -0.31 0.00 0.00 0.00 0.00 54.91 54.35 1rya h ALA 69 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1rya h ALA 69 CO -0.02 0.63 -1.73 0.93 0.00 0.00 0.00 179.25 179.06 1rya h GLU 70 N 0.67 0.10 0.00 0.00 4.39 -0.66 -3.41 114.58 115.67 1rya h GLU 70 Ca 0.09 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1rya h GLU 70 Cb 0.75 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1rya h GLU 70 CO 0.06 0.77 -0.79 1.28 -1.16 0.00 0.00 179.01 179.17 1rya n LEU 71 N -3.22 0.10 -0.10 1.33 4.77 -0.03 -4.43 117.00 115.43 1rya n LEU 71 Ca -0.20 -0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.55 1rya n LEU 71 Cb 1.04 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.13 1rya n LEU 71 CO 0.45 0.02 -0.01 0.61 -1.33 0.00 0.00 177.39 177.13 1rya n GLY 72 N 1.74 0.47 2.76 -0.72 0.00 -0.22 -1.72 105.19 107.49 1rya n GLY 72 Ca -0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1rya n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rya s LEU 73 N -0.30 0.55 -0.18 0.99 2.96 -1.23 -4.09 118.68 117.38 1rya s LEU 73 Ca 0.00 -0.04 -0.27 0.00 -0.22 0.00 0.00 54.13 53.60 1rya s LEU 73 Cb 0.00 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.33 1rya s LEU 73 CO 0.00 -0.19 0.90 -0.60 -1.32 0.00 0.00 176.35 175.14 1rya s ARG 74 N 1.91 4.29 0.09 1.98 3.52 -1.26 -2.98 118.95 126.50 1rya s ARG 74 Ca 0.03 1.14 0.08 0.00 -0.13 0.00 0.00 55.73 56.85 1rya s ARG 74 Cb -0.12 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 1rya s ARG 74 CO -0.04 -0.42 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.31 1rya s LEU 75 N 2.45 2.29 0.50 -0.88 1.43 -1.26 -4.95 118.68 118.25 1rya s LEU 75 Ca 0.41 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1rya s LEU 75 Cb -0.16 -0.87 -0.06 0.00 0.03 0.00 0.00 46.19 45.13 1rya s LEU 75 CO 0.11 0.06 0.90 -2.16 0.23 0.00 0.00 176.35 175.49 1rya s PRO 76 N -1.83 3.77 0.56 1.29 0.04 -1.26 -3.76 135.00 133.82 1rya s PRO 76 Ca 0.06 0.66 0.27 0.00 0.04 0.00 0.00 61.00 62.03 1rya s PRO 76 Cb -0.10 -2.23 1.66 0.00 0.04 0.00 0.00 34.50 33.87 1rya s PRO 76 CO 0.04 -0.25 2.20 0.97 0.04 0.00 0.00 177.00 180.00 1rya h ILE 77 N 0.62 0.61 0.00 0.56 2.10 -1.91 -0.83 117.51 118.66 1rya h ILE 77 Ca -0.46 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.34 1rya h ILE 77 Cb 1.19 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 1rya h ILE 77 CO 0.62 0.03 0.00 0.71 -1.08 0.00 0.00 178.15 178.44 1rya h THR 78 N 0.00 0.00 0.00 2.19 1.35 -1.98 -1.10 112.91 113.37 1rya h THR 78 Ca -0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1rya h THR 78 Cb 0.08 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1rya h THR 78 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1rya h ALA 79 N 2.01 1.00 -2.66 6.62 0.00 -1.53 -3.46 119.26 121.24 1rya h ALA 79 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1rya h ALA 79 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1rya h ALA 79 CO 0.00 0.00 -0.23 0.20 0.00 0.00 0.00 179.25 179.22 1rya s GLY 80 N -3.83 2.38 -0.29 0.00 0.00 -0.42 -4.69 107.32 100.47 1rya s GLY 80 Ca 0.07 -0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.28 1rya s GLY 80 CO 0.57 -0.07 0.53 1.62 0.00 0.00 0.00 173.10 175.75 1rya s GLN 81 N -1.69 3.92 0.27 2.90 0.74 0.34 -4.88 119.66 121.26 1rya s GLN 81 Ca 0.31 0.18 -0.30 0.00 0.05 0.00 0.00 55.36 55.59 1rya s GLN 81 Cb -0.15 -3.71 -0.13 0.00 1.10 0.00 0.00 33.01 30.13 1rya s GLN 81 CO 0.17 -0.47 1.44 0.34 -0.55 0.00 0.00 175.29 176.22 1rya n PHE 82 N 5.66 2.38 -1.73 1.67 7.35 -1.26 -1.05 117.46 130.47 1rya n PHE 82 Ca -0.04 0.40 0.05 0.00 -0.76 0.00 0.00 57.45 57.11 1rya n PHE 82 Cb 0.49 -2.49 0.10 0.00 0.35 0.00 0.00 39.48 37.93 1rya n PHE 82 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1rya n TYR 83 N 1.74 0.00 0.00 -5.13 -0.00 0.76 0.17 117.16 114.69 1rya n TYR 83 Ca 0.10 -0.78 0.00 0.00 -0.00 0.00 0.00 57.90 57.22 1rya n TYR 83 Cb 0.34 -0.15 0.00 0.00 -0.00 0.00 0.00 39.34 39.52 1rya n TYR 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1rya n GLY 84 N -0.60 1.75 3.66 2.98 0.00 -1.24 -4.54 105.19 107.21 1rya n GLY 84 Ca 0.11 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 1rya n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rya s VAL 85 N -2.44 4.69 0.21 1.61 1.01 0.08 -1.32 120.40 124.24 1rya s VAL 85 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1rya s VAL 85 Cb 0.00 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1rya s VAL 85 CO 0.00 0.51 -0.04 0.26 0.00 0.00 0.00 175.10 175.84 1rya s TRP 86 N -0.06 1.53 -0.08 5.22 0.52 0.27 -0.27 118.94 126.08 1rya s TRP 86 Ca 0.06 -0.85 -0.01 0.00 0.02 0.00 0.00 56.10 55.32 1rya s TRP 86 Cb -0.12 -0.86 0.03 0.00 -1.15 0.00 0.00 33.47 31.37 1rya s TRP 86 CO 0.01 0.03 -0.03 -0.65 0.02 0.00 0.00 176.95 176.33 1rya s GLN 87 N -3.82 0.94 -0.13 4.98 -0.21 -1.26 -0.55 119.66 119.61 1rya s GLN 87 Ca 0.26 -0.04 0.02 0.00 0.02 0.00 0.00 55.36 55.62 1rya s GLN 87 Cb 0.05 -1.16 0.01 0.00 1.00 0.00 0.00 33.01 32.91 1rya s GLN 87 CO 0.07 -0.26 -0.19 -1.01 -2.12 0.00 0.00 175.29 171.78 1rya s HIS 88 N 1.75 2.38 -0.15 0.91 3.76 -0.38 -5.01 115.29 118.55 1rya s HIS 88 Ca 0.03 -1.20 0.02 0.00 -0.15 0.00 0.00 55.06 53.76 1rya s HIS 88 Cb -0.13 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 31.92 1rya s HIS 88 CO -0.05 -0.58 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.00 1rya s PHE 89 N 0.95 2.58 0.05 1.40 0.40 -1.26 -0.99 117.98 121.11 1rya s PHE 89 Ca -0.05 -1.38 0.08 0.00 -0.60 0.00 0.00 56.93 54.98 1rya s PHE 89 Cb -0.15 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 1rya s PHE 89 CO -0.03 -0.66 -0.24 0.71 0.70 0.00 0.00 175.22 175.70 1rya s TYR 90 N 1.03 2.07 -0.93 0.36 1.51 -0.13 -5.01 117.35 116.26 1rya s TYR 90 Ca -0.02 -0.39 0.28 0.00 -1.01 0.00 0.00 57.07 55.92 1rya s TYR 90 Cb -0.14 -1.23 1.10 0.00 -0.11 0.00 0.00 41.96 41.57 1rya s TYR 90 CO -0.06 0.11 1.87 -0.25 -1.11 0.00 0.00 175.55 176.11 1rya n ASP 91 N 1.79 0.22 -2.54 2.29 8.00 -1.26 -1.44 116.55 123.61 1rya n ASP 91 Ca -0.17 0.49 -0.07 0.00 0.71 0.00 0.00 54.79 55.74 1rya n ASP 91 Cb 0.53 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 1rya n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1rya n ASP 92 N -1.69 2.15 -3.86 -2.24 5.75 -1.26 -4.02 116.55 111.38 1rya n ASP 92 Ca 0.07 -1.52 -0.10 0.00 -0.01 0.00 0.00 54.79 53.23 1rya n ASP 92 Cb 0.36 0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 40.51 1rya n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1rya s ASN 93 N -1.64 0.04 0.42 -1.12 4.22 -0.39 -2.43 114.94 114.04 1rya s ASN 93 Ca 0.01 -1.02 0.24 0.00 -2.14 0.00 0.00 52.86 49.94 1rya s ASN 93 Cb 0.00 0.60 1.24 0.00 1.28 0.00 0.00 41.25 44.38 1rya s ASN 93 CO 0.00 -1.18 1.73 2.19 -2.04 0.00 0.00 177.10 177.80 1rya h PHE 94 N 2.23 0.56 -0.00 1.54 -5.15 -1.94 -1.60 116.94 112.58 1rya h PHE 94 Ca -0.27 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.52 1rya h PHE 94 Cb 1.25 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.26 1rya h PHE 94 CO 0.58 -0.03 -0.64 -1.13 -2.00 0.00 0.00 178.31 175.09 1rya n SER 95 N -4.61 0.66 0.00 -0.68 3.41 -1.26 -4.62 113.62 106.52 1rya n SER 95 Ca 0.29 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1rya n SER 95 Cb 1.08 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 1rya n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rya n GLY 96 N 1.50 0.21 0.40 5.00 0.00 -0.60 -4.96 105.19 106.73 1rya n GLY 96 Ca 0.05 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 44.97 1rya n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rya n THR 97 N 5.41 1.42 0.56 2.61 -2.24 -1.26 -1.26 114.28 119.52 1rya n THR 97 Ca 0.00 -1.41 0.13 0.00 -2.27 0.00 0.00 64.05 60.50 1rya n THR 97 Cb 0.00 0.21 0.30 0.00 -2.10 0.00 0.00 70.33 68.74 1rya n THR 97 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1rya h ASP 98 N 1.01 0.00 -5.03 3.42 3.32 -1.93 -3.47 116.42 113.75 1rya h ASP 98 Ca 0.00 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1rya h ASP 98 Cb 0.86 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.31 1rya h ASP 98 CO 0.05 0.04 0.15 0.72 -1.72 0.00 0.00 179.24 178.47 1rya s PHE 99 N -3.14 -0.32 0.57 4.55 -0.12 -1.26 -5.13 117.98 113.13 1rya s PHE 99 Ca 0.09 0.01 -0.05 0.00 -0.05 0.00 0.00 56.93 56.93 1rya s PHE 99 Cb 0.12 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 43.05 1rya s PHE 99 CO 0.65 -0.95 0.86 0.95 -0.05 0.00 0.00 175.22 176.68 1rya s THR 100 N -3.83 3.62 -0.03 -4.49 -4.23 -1.26 -3.29 115.64 102.14 1rya s THR 100 Ca 0.06 -0.12 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1rya s THR 100 Cb -0.02 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 1rya s THR 100 CO -0.06 -0.41 -0.22 -0.89 -0.54 0.00 0.00 174.62 172.50 1rya s THR 101 N -2.92 1.80 -0.10 3.99 2.01 -0.52 -4.52 115.64 115.37 1rya s THR 101 Ca 0.53 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1rya s THR 101 Cb -0.10 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 70.92 1rya s THR 101 CO 0.44 0.51 -0.09 -2.28 -0.69 0.00 0.00 174.62 172.50 1rya s HIS 102 N -0.35 1.50 -0.05 4.92 5.04 -1.26 -0.95 115.29 124.14 1rya s HIS 102 Ca 0.04 -0.71 0.05 0.00 -1.54 0.00 0.00 55.06 52.90 1rya s HIS 102 Cb -0.10 -1.20 -0.02 0.00 0.04 0.00 0.00 32.58 31.29 1rya s HIS 102 CO 0.01 -0.46 -0.20 0.71 -2.34 0.00 0.00 174.74 172.46 1rya s TYR 103 N 1.45 2.54 -0.25 3.88 1.51 -0.16 -0.36 117.35 125.95 1rya s TYR 103 Ca 0.00 -0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 55.60 1rya s TYR 103 Cb -0.13 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 1rya s TYR 103 CO -0.06 0.02 0.12 0.08 -1.11 0.00 0.00 175.55 174.61 1rya s VAL 104 N -0.52 4.84 -0.09 0.71 1.01 0.09 -1.24 120.40 125.20 1rya s VAL 104 Ca 0.07 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1rya s VAL 104 Cb -0.11 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1rya s VAL 104 CO 0.01 0.32 -0.22 -0.69 0.00 0.00 0.00 175.10 174.52 1rya s VAL 105 N 1.49 2.27 -0.27 2.92 1.01 0.28 -1.21 120.40 126.89 1rya s VAL 105 Ca 0.06 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1rya s VAL 105 Cb -0.15 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1rya s VAL 105 CO 0.06 0.56 0.23 -0.76 0.00 0.00 0.00 175.10 175.20 1rya s LEU 106 N 0.13 4.03 0.21 3.92 1.43 0.28 -0.56 118.68 128.12 1rya s LEU 106 Ca -0.11 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1rya s LEU 106 Cb -0.16 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.78 1rya s LEU 106 CO 0.06 -0.07 0.73 -0.83 0.23 0.00 0.00 176.35 176.47 1rya s GLY 107 N 1.67 2.67 -0.02 -3.19 0.00 -0.43 -1.42 107.32 106.60 1rya s GLY 107 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1rya s GLY 107 CO 0.10 0.59 0.00 -1.36 0.00 0.00 0.00 173.10 172.43 1rya s PHE 108 N -1.45 0.24 -0.07 1.90 0.40 -0.11 -0.17 117.98 118.71 1rya s PHE 108 Ca 0.41 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.77 1rya s PHE 108 Cb -0.18 -0.32 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 1rya s PHE 108 CO 0.22 -0.10 -0.08 0.50 0.70 0.00 0.00 175.22 176.47 1rya s ARG 109 N 0.83 2.80 0.14 0.44 3.52 -0.22 -0.75 118.95 125.71 1rya s ARG 109 Ca -0.08 -0.56 -0.24 0.00 -0.13 0.00 0.00 55.73 54.72 1rya s ARG 109 Cb -0.11 -2.59 0.07 0.00 -1.56 0.00 0.00 34.95 30.76 1rya s ARG 109 CO -0.02 0.62 0.63 -0.59 -0.81 0.00 0.00 175.30 175.13 1rya s PHE 110 N -0.69 -0.53 -0.10 5.12 -0.12 -0.66 -0.50 117.98 120.50 1rya s PHE 110 Ca 0.10 0.36 -0.03 0.00 -0.05 0.00 0.00 56.93 57.31 1rya s PHE 110 Cb -0.11 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 1rya s PHE 110 CO 0.02 -0.81 0.04 0.50 -0.05 0.00 0.00 175.22 174.91 1rya s ARG 111 N -3.57 3.16 0.35 1.99 3.52 -1.26 -1.19 118.95 121.95 1rya s ARG 111 Ca 0.01 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.31 1rya s ARG 111 Cb -0.01 -2.91 -0.06 0.00 -1.56 0.00 0.00 34.95 30.41 1rya s ARG 111 CO -0.12 0.69 0.05 0.14 -0.81 0.00 0.00 175.30 175.25 1rya s VAL 112 N -0.82 1.30 -0.23 7.11 -7.23 0.09 -4.92 120.40 115.71 1rya s VAL 112 Ca 0.13 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 1rya s VAL 112 Cb -0.12 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 1rya s VAL 112 CO 0.03 0.00 0.19 -0.44 -0.31 0.00 0.00 175.10 174.57 1rya s SER 113 N -3.55 6.18 0.37 4.85 0.01 -1.26 -3.74 113.70 116.56 1rya s SER 113 Ca 0.34 0.20 0.15 0.00 1.31 0.00 0.00 55.95 57.95 1rya s SER 113 Cb 0.08 -2.12 1.01 0.00 0.21 0.00 0.00 66.02 65.20 1rya s SER 113 CO 0.16 0.07 1.78 -0.33 0.41 0.00 0.00 173.24 175.32 1rya h GLU 114 N 7.34 0.47 0.00 12.44 5.08 -1.97 -0.46 114.58 137.48 1rya h GLU 114 Ca -0.38 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1rya h GLU 114 Cb 1.17 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1rya h GLU 114 CO 0.68 0.31 0.00 0.39 -1.00 0.00 0.00 179.01 179.40 1rya n GLU 115 N -4.66 0.16 -0.08 2.33 -0.58 -1.26 -2.29 120.64 114.26 1rya n GLU 115 Ca 0.24 0.14 0.09 0.00 -0.42 0.00 0.00 57.16 57.21 1rya n GLU 115 Cb 0.78 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 30.27 1rya n GLU 115 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rya n GLU 116 N -1.37 1.82 -3.39 3.49 1.02 -0.18 -4.96 120.64 117.07 1rya n GLU 116 Ca 0.07 -1.78 -0.25 0.00 -0.02 0.00 0.00 57.16 55.18 1rya n GLU 116 Cb 0.18 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1rya n GLU 116 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1rya s LEU 117 N -1.34 4.03 -0.50 -4.62 1.43 -0.97 -4.70 118.68 112.01 1rya s LEU 117 Ca 0.25 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1rya s LEU 117 Cb 0.16 -3.35 0.16 0.00 0.03 0.00 0.00 46.19 43.19 1rya s LEU 117 CO 0.23 -0.26 0.37 -0.22 0.23 0.00 0.00 176.35 176.70 1rya s LEU 118 N -4.10 2.60 -0.05 1.79 2.96 -0.70 -5.00 118.68 116.18 1rya s LEU 118 Ca 0.41 -3.20 -0.30 0.00 -0.22 0.00 0.00 54.13 50.82 1rya s LEU 118 Cb -0.10 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 1rya s LEU 118 CO 0.35 -0.17 1.52 -0.76 -1.32 0.00 0.00 176.35 175.97 1rya s LEU 119 N -0.30 4.30 0.63 -0.68 1.43 -1.25 -3.52 118.68 119.29 1rya s LEU 119 Ca 0.27 2.13 -0.09 0.00 -1.03 0.00 0.00 54.13 55.42 1rya s LEU 119 Cb -0.04 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1rya s LEU 119 CO -0.15 -0.84 0.99 -2.16 0.23 0.00 0.00 176.35 174.42 1rya s PRO 120 N 3.39 3.04 0.00 1.29 0.04 -1.26 -5.02 135.00 136.49 1rya s PRO 120 Ca 0.68 0.31 0.14 0.00 0.04 0.00 0.00 61.00 62.16 1rya s PRO 120 Cb -0.31 -2.15 0.28 0.00 0.04 0.00 0.00 34.50 32.36 1rya s PRO 120 CO 0.26 -0.78 1.18 -0.40 0.04 0.00 0.00 177.00 177.31 1rya n ASP 121 N -2.75 2.79 -0.09 6.66 5.68 -1.26 -4.52 116.55 123.06 1rya n ASP 121 Ca 0.05 -1.85 -0.11 0.00 -0.50 0.00 0.00 54.79 52.39 1rya n ASP 121 Cb 0.57 -0.18 -0.04 0.00 -1.14 0.00 0.00 41.12 40.32 1rya n ASP 121 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1rya h GLU 122 N 2.61 0.46 0.00 0.11 3.07 -1.95 -3.35 114.58 115.52 1rya h GLU 122 Ca 0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1rya h GLU 122 Cb 0.71 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1rya h GLU 122 CO 0.00 0.62 -0.98 1.04 -1.40 0.00 0.00 179.01 178.29 1rya n GLN 123 N -4.62 1.72 -3.85 2.33 6.02 -1.26 -4.85 117.38 112.87 1rya n GLN 123 Ca -0.03 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 56.79 1rya n GLN 123 Cb 0.24 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 30.14 1rya n GLN 123 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1rya s HIS 124 N -2.55 -0.04 -2.32 1.08 3.76 -1.26 -1.43 115.29 112.52 1rya s HIS 124 Ca 0.02 0.12 0.22 0.00 -0.15 0.00 0.00 55.06 55.26 1rya s HIS 124 Cb 0.10 0.00 0.37 0.00 1.11 0.00 0.00 32.58 34.17 1rya s HIS 124 CO 0.59 -0.03 1.34 -0.40 -0.85 0.00 0.00 174.74 175.39 1rya n ASP 125 N 3.12 3.29 -3.51 1.40 3.85 -0.70 -4.44 116.55 119.57 1rya n ASP 125 Ca -0.13 -1.95 -0.10 0.00 -0.71 0.00 0.00 54.79 51.90 1rya n ASP 125 Cb 0.59 -0.21 -0.03 0.00 -1.35 0.00 0.00 41.12 40.12 1rya n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1rya s ASP 126 N -1.45 -0.41 0.01 -1.12 3.68 -1.26 -4.99 116.67 111.13 1rya s ASP 126 Ca 0.35 0.12 0.01 0.00 2.13 0.00 0.00 52.55 55.16 1rya s ASP 126 Cb 0.21 0.41 -0.01 0.00 -1.45 0.00 0.00 42.92 42.08 1rya s ASP 126 CO 0.29 -0.62 -0.05 -0.31 0.13 0.00 0.00 175.17 174.61 1rya s TYR 127 N -2.73 0.42 0.06 -5.34 1.51 -1.26 -1.13 117.35 108.87 1rya s TYR 127 Ca 0.02 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1rya s TYR 127 Cb -0.01 -0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 1rya s TYR 127 CO -0.06 -0.04 -0.06 1.03 -1.11 0.00 0.00 175.55 175.30 1rya s ARG 128 N -0.60 0.60 -0.30 -0.62 0.52 -0.22 -5.00 118.95 113.33 1rya s ARG 128 Ca -0.03 -0.97 -0.03 0.00 -0.52 0.00 0.00 55.73 54.18 1rya s ARG 128 Cb -0.04 -0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.31 1rya s ARG 128 CO -0.00 -0.00 0.01 -1.58 0.02 0.00 0.00 175.30 173.75 1rya s TRP 129 N -2.36 3.22 0.11 -0.53 0.52 -1.26 -1.06 118.94 117.58 1rya s TRP 129 Ca -0.02 -1.69 0.09 0.00 0.02 0.00 0.00 56.10 54.49 1rya s TRP 129 Cb -0.03 -2.13 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1rya s TRP 129 CO -0.03 -0.77 -0.18 -0.51 0.02 0.00 0.00 176.95 175.49 1rya s LEU 130 N 1.30 2.67 0.73 2.99 1.43 -0.20 -4.73 118.68 122.87 1rya s LEU 130 Ca -0.03 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1rya s LEU 130 Cb -0.19 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1rya s LEU 130 CO -0.01 0.19 1.08 0.42 0.23 0.00 0.00 176.35 178.26 1rya s THR 131 N -1.11 3.61 0.22 5.49 -4.23 -1.26 -0.15 115.64 118.21 1rya s THR 131 Ca 0.17 0.54 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 1rya s THR 131 Cb -0.11 -3.13 0.16 0.00 1.34 0.00 0.00 72.50 70.76 1rya s THR 131 CO 0.09 -0.67 1.77 -1.28 -0.54 0.00 0.00 174.62 174.00 1rya h SER 132 N -0.87 0.39 -0.58 3.99 0.87 -1.97 -0.99 113.55 114.39 1rya h SER 132 Ca -0.44 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 1rya h SER 132 Cb 1.22 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 1rya h SER 132 CO 0.54 0.23 0.25 0.44 -0.53 0.00 0.00 176.83 177.76 1rya h ASP 133 N 0.54 0.79 -0.33 6.23 3.32 -1.97 -1.90 116.42 123.09 1rya h ASP 133 Ca 0.32 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1rya h ASP 133 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1rya h ASP 133 CO -0.26 0.72 0.01 0.00 -1.72 0.00 0.00 179.24 177.99 1rya h ALA 134 N 1.09 0.44 -0.09 3.45 0.00 -1.80 -2.75 119.26 119.61 1rya h ALA 134 Ca 0.20 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1rya h ALA 134 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rya h ALA 134 CO -0.02 0.19 -0.44 1.37 0.00 0.00 0.00 179.25 180.36 1rya h LEU 135 N 0.39 0.21 -1.59 0.00 8.10 -1.08 -2.32 115.31 119.02 1rya h LEU 135 Ca 0.09 -0.09 -0.05 0.00 0.11 0.00 0.00 57.88 57.95 1rya h LEU 135 Cb 0.44 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1rya h LEU 135 CO 0.02 0.63 -0.22 -0.07 -4.11 0.00 0.00 178.44 174.68 1rya h LEU 136 N 0.17 0.00 -0.41 0.17 3.38 -1.27 -2.72 115.31 114.63 1rya h LEU 136 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rya h LEU 136 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1rya h LEU 136 CO 0.07 0.22 -0.27 0.00 0.09 0.00 0.00 178.44 178.54 1rya n ALA 137 N -2.41 3.11 -2.54 1.53 0.00 -0.90 -4.81 120.51 114.49 1rya n ALA 137 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1rya n ALA 137 Cb 0.30 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 1rya n ALA 137 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rya s SER 138 N -2.57 6.06 0.10 0.00 0.01 -1.03 -4.96 113.70 111.32 1rya s SER 138 Ca 0.23 -0.95 0.22 0.00 1.31 0.00 0.00 55.95 56.77 1rya s SER 138 Cb 0.19 -2.14 0.90 0.00 0.21 0.00 0.00 66.02 65.18 1rya s SER 138 CO 0.54 -0.46 1.70 0.47 0.41 0.00 0.00 173.24 175.90 1rya n ASP 139 N 5.14 0.29 -0.05 2.44 9.92 -1.26 -1.89 116.55 131.14 1rya n ASP 139 Ca -0.11 0.55 0.14 0.00 -0.53 0.00 0.00 54.79 54.84 1rya n ASP 139 Cb 0.47 -0.62 0.69 0.00 -0.64 0.00 0.00 41.12 41.01 1rya n ASP 139 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1rya n ASN 140 N -1.80 0.22 -4.66 -2.24 4.13 -1.26 -4.62 115.26 105.03 1rya n ASN 140 Ca 0.04 -0.34 -0.41 0.00 1.68 0.00 0.00 54.58 55.55 1rya n ASN 140 Cb 0.27 -0.18 -0.05 0.00 -1.54 0.00 0.00 39.78 38.29 1rya n ASN 140 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1rya s VAL 141 N -2.53 4.96 0.39 2.41 1.01 -0.79 -1.03 120.40 124.82 1rya s VAL 141 Ca 0.29 1.35 -0.27 0.00 0.00 0.00 0.00 61.98 63.35 1rya s VAL 141 Cb 0.20 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 1rya s VAL 141 CO 0.47 0.06 1.31 1.57 0.00 0.00 0.00 175.10 178.51 1rya n HIS 142 N 5.23 2.29 -0.34 5.22 -0.00 -0.57 -4.73 115.22 122.31 1rya n HIS 142 Ca 0.01 0.51 0.20 0.00 0.46 0.00 0.00 57.72 58.90 1rya n HIS 142 Cb 0.49 -2.41 0.44 0.00 -0.12 0.00 0.00 29.99 28.40 1rya n HIS 142 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1rya h ALA 143 N 2.34 1.99 0.00 1.57 0.00 -1.92 -0.31 119.26 122.93 1rya h ALA 143 Ca -0.48 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1rya h ALA 143 Cb 1.28 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1rya h ALA 143 CO 0.61 -0.45 -0.15 -0.91 0.00 0.00 0.00 179.25 178.36 1rya h ASN 144 N 0.49 0.00 0.22 0.00 2.35 -1.97 -1.77 115.58 114.90 1rya h ASN 144 Ca 0.64 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 56.05 1rya h ASN 144 Cb 1.39 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.79 1rya h ASN 144 CO -0.41 0.15 -1.54 0.28 -1.65 0.00 0.00 177.43 174.26 1rya h SER 145 N 0.00 0.74 -0.09 5.81 0.02 -1.45 -3.34 113.55 115.24 1rya h SER 145 Ca -0.00 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1rya h SER 145 Cb 0.68 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1rya h SER 145 CO 0.02 1.72 0.05 0.03 -1.14 0.00 0.00 176.83 177.51 1rya h ARG 146 N 0.09 0.15 -0.01 3.45 3.08 -0.99 -2.80 114.38 117.35 1rya h ARG 146 Ca -0.28 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1rya h ARG 146 Cb 2.11 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 32.12 1rya h ARG 146 CO 0.23 0.12 0.00 0.00 -1.07 0.00 0.00 179.97 179.26 1rya h ALA 147 N 1.90 1.83 0.00 0.04 0.00 -1.45 -0.89 119.26 120.69 1rya h ALA 147 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rya h ALA 147 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rya h ALA 147 CO -0.01 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.90 1rya n TYR 148 N -4.28 0.58 0.21 0.00 0.53 -1.06 -2.84 117.16 110.31 1rya n TYR 148 Ca -0.03 0.25 0.02 0.00 -1.02 0.00 0.00 57.90 57.12 1rya n TYR 148 Cb 0.09 -0.90 -0.03 0.00 -1.03 0.00 0.00 39.34 37.48 1rya n TYR 148 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1rya n PHE 149 N -2.04 0.00 -1.85 -0.72 3.01 -0.35 -4.68 117.46 110.82 1rya n PHE 149 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1rya n PHE 149 Cb 0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1rya n PHE 149 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1rya n LEU 150 N -1.15 0.00 0.00 4.37 4.77 -1.13 -5.07 117.00 118.80 1rya n LEU 150 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1rya n LEU 150 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1rya n LEU 150 CO 0.10 -0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.07 1rya n ALA 151 N -3.00 0.00 0.00 -1.18 0.00 -1.13 -4.83 120.51 110.37 1rya n ALA 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rya n ALA 151 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rya n ALA 151 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1rya n GLU 152 N -0.22 0.00 -1.69 0.00 0.28 -1.26 -4.89 120.64 112.86 1rya n GLU 152 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 1rya n GLU 152 Cb 0.00 0.00 0.05 0.00 1.43 0.00 0.00 31.44 32.92 1rya n GLU 152 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rya n LYS 153 N 0.00 2.82 -4.80 3.44 5.02 -1.26 -5.05 118.16 118.33 1rya n LYS 153 Ca 0.00 -3.51 -0.33 0.00 -2.02 0.00 0.00 58.31 52.45 1rya n LYS 153 Cb 0.00 -2.28 -0.13 0.00 -0.02 0.00 0.00 35.03 32.61 1rya n LYS 153 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1rya s ARG 154 N -3.91 2.52 -0.18 1.97 3.52 -1.26 -4.61 118.95 117.00 1rya s ARG 154 Ca 0.58 -0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 55.42 1rya s ARG 154 Cb 0.47 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 31.41 1rya s ARG 154 CO -0.19 0.62 0.04 0.99 -0.81 0.00 0.00 175.30 175.95 1rya s THR 155 N -0.78 4.54 0.00 4.11 2.01 0.63 -4.95 115.64 121.20 1rya s THR 155 Ca 0.12 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1rya s THR 155 Cb -0.11 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1rya s THR 155 CO 0.01 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1rya n GLY 156 N 3.65 -1.78 3.66 4.40 0.00 -1.26 -0.74 105.19 113.12 1rya n GLY 156 Ca -0.17 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1rya n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rya s VAL 157 N 0.00 4.08 0.13 1.61 0.11 -1.26 -4.82 120.40 120.25 1rya s VAL 157 Ca 0.00 -0.50 -0.31 0.00 -2.93 0.00 0.00 61.98 58.24 1rya s VAL 157 Cb 0.00 -2.76 -0.08 0.00 -1.53 0.00 0.00 36.38 32.01 1rya s VAL 157 CO 0.00 0.48 1.38 -2.84 -3.33 0.00 0.00 175.10 170.78 1rya s PRO 158 N -1.24 4.33 1.19 1.54 0.02 -1.26 -3.61 135.00 135.96 1rya s PRO 158 Ca 0.16 2.07 -0.13 0.00 0.02 0.00 0.00 61.00 63.13 1rya s PRO 158 Cb -0.11 -3.24 0.29 0.00 0.02 0.00 0.00 34.50 31.46 1rya s PRO 158 CO 0.06 -0.40 0.95 0.41 -0.33 0.00 0.00 177.00 177.69 1rya n GLY 159 N 3.27 -2.12 0.00 0.52 0.00 0.13 -4.99 105.19 102.00 1rya n GLY 159 Ca 0.10 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1rya n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36