#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oms s VAL 3 N 0.00 1.82 -0.08 1.69 1.01 -1.26 -2.47 120.40 121.11 1oms s VAL 3 Ca 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.79 1oms s VAL 3 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1oms s VAL 3 CO 0.00 0.30 -0.15 -0.55 0.00 0.00 0.00 175.10 174.70 1oms s SER 4 N -1.08 2.21 -0.24 3.32 0.15 0.16 -5.01 113.70 113.21 1oms s SER 4 Ca 0.09 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.38 1oms s SER 4 Cb -0.09 -1.01 0.05 0.00 -1.71 0.00 0.00 66.02 63.26 1oms s SER 4 CO 0.01 0.05 -0.13 -0.69 1.20 0.00 0.00 173.24 173.69 1oms s VAL 5 N 0.68 2.11 0.42 4.45 1.01 -1.26 -0.54 120.40 127.27 1oms s VAL 5 Ca -0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.32 1oms s VAL 5 Cb -0.16 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1oms s VAL 5 CO 0.04 0.08 0.71 -1.61 0.00 0.00 0.00 175.10 174.32 1oms s GLU 6 N 1.15 3.58 -0.12 2.72 2.02 -0.00 -5.01 118.70 123.05 1oms s GLU 6 Ca -0.06 0.12 -0.14 0.00 0.02 0.00 0.00 54.97 54.92 1oms s GLU 6 Cb -0.19 -2.46 0.04 0.00 0.10 0.00 0.00 34.13 31.62 1oms s GLU 6 CO -0.07 -0.06 0.37 -0.08 0.02 0.00 0.00 175.26 175.45 1oms s THR 7 N -2.52 0.01 0.00 3.63 -1.32 -1.26 -3.17 115.64 111.01 1oms s THR 7 Ca 0.46 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 1oms s THR 7 Cb -0.10 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 1oms s THR 7 CO 0.39 -0.04 0.00 0.41 -2.21 0.00 0.00 174.62 173.17 1oms n THR 8 N 2.56 -0.28 0.00 5.08 -1.04 -0.89 -5.03 114.28 114.69 1oms n THR 8 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1oms n THR 8 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1oms n THR 8 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1oms n GLN 9 N 0.26 0.00 -3.08 -2.82 0.00 -1.25 -4.76 117.38 105.73 1oms n GLN 9 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.87 1oms n GLN 9 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.31 1oms n GLN 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1oms n GLY 10 N 0.00 -0.53 3.81 1.69 0.00 -1.26 -2.51 105.19 106.39 1oms n GLY 10 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1oms n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oms n LEU 11 N -3.29 0.00 -4.61 0.99 4.77 -1.26 -4.98 117.00 108.62 1oms n LEU 11 Ca -0.15 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 1oms n LEU 11 Cb 0.62 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.83 1oms n LEU 11 CO 0.50 0.00 0.51 0.61 -1.33 0.00 0.00 177.39 177.68 1oms n GLY 12 N -1.71 -0.58 3.36 -0.72 0.00 -1.04 -3.00 105.19 101.49 1oms n GLY 12 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1oms n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oms s ARG 13 N -3.78 1.03 -0.04 1.61 0.52 0.36 -2.09 118.95 116.57 1oms s ARG 13 Ca 0.70 -0.41 -0.00 0.00 -0.52 0.00 0.00 55.73 55.49 1oms s ARG 13 Cb -0.29 0.47 0.03 0.00 0.52 0.00 0.00 34.95 35.67 1oms s ARG 13 CO 0.54 -0.39 0.02 0.50 0.02 0.00 0.00 175.30 176.00 1oms s ARG 14 N -2.91 0.23 -0.23 3.54 3.52 -1.19 -1.76 118.95 120.15 1oms s ARG 14 Ca -0.03 0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 55.72 1oms s ARG 14 Cb -0.00 -0.55 0.01 0.00 -1.56 0.00 0.00 34.95 32.86 1oms s ARG 14 CO -0.05 -0.21 -0.07 0.08 -0.81 0.00 0.00 175.30 174.23 1oms s VAL 15 N 1.45 2.93 -0.18 7.11 1.01 -0.12 -0.82 120.40 131.78 1oms s VAL 15 Ca -0.04 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1oms s VAL 15 Cb -0.13 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1oms s VAL 15 CO -0.03 0.32 0.12 -0.89 0.00 0.00 0.00 175.10 174.62 1oms s THR 16 N 1.37 5.32 0.07 3.92 2.01 0.29 -0.92 115.64 127.70 1oms s THR 16 Ca 0.03 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.24 1oms s THR 16 Cb -0.15 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1oms s THR 16 CO -0.05 0.48 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.57 1oms s ILE 17 N 0.09 1.21 -0.13 1.82 1.01 0.63 -0.66 121.20 125.17 1oms s ILE 17 Ca 0.09 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1oms s ILE 17 Cb -0.11 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1oms s ILE 17 CO -0.01 -0.13 -0.11 -0.89 0.00 0.00 0.00 174.94 173.81 1oms s THR 18 N -1.13 1.27 -0.10 2.92 2.01 -1.03 -0.99 115.64 118.59 1oms s THR 18 Ca 0.00 -0.45 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 1oms s THR 18 Cb -0.09 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1oms s THR 18 CO 0.02 0.41 0.43 -0.63 -0.69 0.00 0.00 174.62 174.17 1oms s ILE 19 N 1.56 5.18 0.42 1.82 1.01 0.13 -4.35 121.20 126.98 1oms s ILE 19 Ca 0.04 0.87 -0.26 0.00 0.00 0.00 0.00 60.65 61.30 1oms s ILE 19 Cb -0.13 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1oms s ILE 19 CO -0.09 0.38 1.39 0.00 0.00 0.00 0.00 174.94 176.62 1oms s ALA 20 N 0.30 3.29 0.34 9.38 0.00 -1.26 -1.77 121.76 132.03 1oms s ALA 20 Ca 0.24 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.63 1oms s ALA 20 Cb -0.15 -3.55 0.60 0.00 0.00 0.00 0.00 23.12 20.02 1oms s ALA 20 CO 0.10 -1.04 1.90 0.00 0.00 0.00 0.00 175.76 176.71 1oms h ALA 21 N 2.54 1.40 -0.18 0.00 0.00 -1.89 -2.28 119.26 118.85 1oms h ALA 21 Ca -0.50 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 1oms h ALA 21 Cb 1.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1oms h ALA 21 CO 0.62 0.43 -0.31 0.22 0.00 0.00 0.00 179.25 180.21 1oms h ASP 22 N 0.58 0.36 -0.24 0.00 3.58 -1.91 -0.87 116.42 117.92 1oms h ASP 22 Ca 0.13 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1oms h ASP 22 Cb 0.25 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1oms h ASP 22 CO -0.00 0.66 -0.20 -1.28 -2.88 0.00 0.00 179.24 175.55 1oms h SER 23 N 0.31 0.70 -0.30 2.28 0.87 -1.80 -1.87 113.55 113.75 1oms h SER 23 Ca 0.04 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 1oms h SER 23 Cb 0.71 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1oms h SER 23 CO 0.05 0.89 -0.09 0.40 -0.53 0.00 0.00 176.83 177.56 1oms h ILE 24 N 0.62 1.28 -0.16 2.23 2.04 -0.95 -2.91 117.51 119.66 1oms h ILE 24 Ca 0.09 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 1oms h ILE 24 Cb 0.67 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1oms h ILE 24 CO 0.05 0.37 -0.29 -0.33 0.00 0.00 0.00 178.15 177.94 1oms h GLU 25 N 0.35 0.31 -0.55 2.37 4.39 -0.99 -1.48 114.58 118.99 1oms h GLU 25 Ca 0.07 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1oms h GLU 25 Cb 0.58 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1oms h GLU 25 CO 0.03 0.58 -0.10 1.15 -1.16 0.00 0.00 179.01 179.51 1oms h THR 26 N 0.28 1.27 -0.13 1.13 2.02 -1.31 0.14 112.91 116.30 1oms h THR 26 Ca 0.04 -1.26 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 1oms h THR 26 Cb 0.66 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1oms h THR 26 CO 0.05 0.45 -0.09 0.00 0.37 0.00 0.00 175.52 176.29 1oms h ALA 27 N 0.93 0.19 -0.22 6.16 0.00 -1.33 -2.34 119.26 122.64 1oms h ALA 27 Ca 0.14 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1oms h ALA 27 Cb 0.67 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1oms h ALA 27 CO 0.05 0.01 0.02 0.28 0.00 0.00 0.00 179.25 179.61 1oms h VAL 28 N -0.07 0.87 -0.87 0.00 2.07 -1.19 -1.19 116.25 115.87 1oms h VAL 28 Ca 0.03 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1oms h VAL 28 Cb 0.58 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1oms h VAL 28 CO 0.02 0.02 0.56 0.50 0.02 0.00 0.00 177.57 178.69 1oms h LYS 29 N 0.10 1.04 -0.58 1.57 3.64 -0.94 0.10 116.57 121.50 1oms h LYS 29 Ca 0.10 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1oms h LYS 29 Cb 0.11 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1oms h LYS 29 CO -0.15 0.68 0.05 1.03 -2.27 0.00 0.00 179.45 178.79 1oms h SER 30 N 1.07 0.96 -0.32 4.20 0.87 -1.11 -0.99 113.55 118.23 1oms h SER 30 Ca 0.35 -0.28 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 1oms h SER 30 Cb 0.04 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1oms h SER 30 CO -0.13 1.01 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.82 1oms h GLU 31 N 0.89 0.76 -0.58 2.24 4.57 -0.69 -2.30 114.58 119.46 1oms h GLU 31 Ca 0.17 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 1oms h GLU 31 Cb 0.48 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1oms h GLU 31 CO 0.02 1.01 0.27 -0.07 -1.18 0.00 0.00 179.01 179.06 1oms h LEU 32 N 0.52 0.74 -0.72 1.64 3.38 -0.66 -0.04 115.31 120.17 1oms h LEU 32 Ca 0.06 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1oms h LEU 32 Cb 0.85 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1oms h LEU 32 CO 0.07 0.64 0.04 0.58 0.09 0.00 0.00 178.44 179.86 1oms h VAL 33 N 0.82 1.26 -0.26 1.22 2.07 -1.06 0.63 116.25 120.93 1oms h VAL 33 Ca 0.20 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1oms h VAL 33 Cb 0.10 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1oms h VAL 33 CO -0.03 0.40 0.12 -1.13 0.02 0.00 0.00 177.57 176.95 1oms h ASN 34 N 0.95 0.34 -0.98 0.57 -0.00 -0.74 -2.62 115.58 113.10 1oms h ASN 34 Ca 0.18 -0.13 0.03 0.00 -0.00 0.00 0.00 56.30 56.38 1oms h ASN 34 Cb 0.49 -0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.67 1oms h ASN 34 CO 0.02 0.38 0.64 0.58 -0.00 0.00 0.00 177.43 179.05 1oms h VAL 35 N 0.28 1.19 0.00 2.57 2.07 -0.57 -1.50 116.25 120.30 1oms h VAL 35 Ca 0.09 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1oms h VAL 35 Cb 0.13 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1oms h VAL 35 CO -0.01 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1oms h ALA 36 N 1.39 1.00 0.00 1.67 0.00 -0.53 -0.74 119.26 122.05 1oms h ALA 36 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1oms h ALA 36 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oms h ALA 36 CO -0.11 0.00 -0.90 0.87 0.00 0.00 0.00 179.25 179.11 1oms h LYS 37 N 0.00 0.00 0.01 0.00 1.57 -0.99 -2.50 116.57 114.66 1oms h LYS 37 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1oms h LYS 37 Cb 0.21 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1oms h LYS 37 CO 0.00 0.00 -2.35 1.63 -0.57 0.00 0.00 179.45 178.16 1oms n LYS 38 N -2.65 0.67 -1.96 3.15 5.02 -0.74 -4.97 118.16 116.69 1oms n LYS 38 Ca 0.01 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 1oms n LYS 38 Cb 0.54 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 1oms n LYS 38 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1oms s VAL 39 N -2.51 2.49 -0.13 -0.18 1.01 -0.36 -5.02 120.40 115.69 1oms s VAL 39 Ca -0.20 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1oms s VAL 39 Cb 0.07 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1oms s VAL 39 CO 0.74 0.08 -0.20 -0.13 0.00 0.00 0.00 175.10 175.59 1oms s ARG 40 N -0.93 3.12 -0.16 2.72 1.81 -1.26 -4.77 118.95 119.48 1oms s ARG 40 Ca 0.57 -0.82 0.02 0.00 -1.72 0.00 0.00 55.73 53.78 1oms s ARG 40 Cb -0.43 -2.46 0.01 0.00 -0.45 0.00 0.00 34.95 31.62 1oms s ARG 40 CO 0.49 0.08 -0.20 0.42 -0.68 0.00 0.00 175.30 175.41 1oms s ILE 41 N 0.62 2.17 0.28 1.52 1.01 -1.26 -5.10 121.20 120.44 1oms s ILE 41 Ca -0.11 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 1oms s ILE 41 Cb -0.16 -1.89 -0.14 0.00 0.01 0.00 0.00 42.46 40.28 1oms s ILE 41 CO 0.03 0.54 1.13 0.47 0.00 0.00 0.00 174.94 177.11 1oms n ASP 42 N 4.27 1.75 0.00 3.58 10.43 -1.26 -1.68 116.55 133.65 1oms n ASP 42 Ca -0.20 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.33 1oms n ASP 42 Cb 0.51 -1.33 0.00 0.00 1.84 0.00 0.00 41.12 42.14 1oms n ASP 42 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1oms n GLY 43 N 1.36 1.32 3.10 0.44 0.00 -1.26 -4.99 105.19 105.16 1oms n GLY 43 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1oms n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oms s PHE 44 N -3.30 2.40 0.00 1.61 5.36 -0.68 -4.96 117.98 118.41 1oms s PHE 44 Ca 0.00 -1.27 0.00 0.00 -0.96 0.00 0.00 56.93 54.70 1oms s PHE 44 Cb 0.00 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 41.00 1oms s PHE 44 CO 0.00 -0.63 0.01 0.54 -1.46 0.00 0.00 175.22 173.68 1oms n ARG 45 N 4.36 1.02 -2.06 10.12 1.74 -1.26 -4.49 116.66 126.09 1oms n ARG 45 Ca -0.19 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.57 1oms n ARG 45 Cb 0.51 -0.12 -0.05 0.00 -1.02 0.00 0.00 32.46 31.78 1oms n ARG 45 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1oms n LYS 46 N -0.15 1.81 0.00 5.56 5.02 -1.26 -4.86 118.16 124.28 1oms n LYS 46 Ca 0.00 -2.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 1oms n LYS 46 Cb 0.02 -3.64 0.00 0.00 -0.02 0.00 0.00 35.03 31.38 1oms n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oms n GLY 47 N 5.63 -1.52 3.81 0.72 0.00 -1.26 -4.89 105.19 107.69 1oms n GLY 47 Ca 0.46 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 1oms n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oms s LYS 48 N 0.00 3.31 0.36 1.61 -2.85 -1.26 -4.99 119.74 115.91 1oms s LYS 48 Ca 0.00 1.11 -0.28 0.00 -1.00 0.00 0.00 55.97 55.79 1oms s LYS 48 Cb 0.00 -2.04 -0.11 0.00 -2.06 0.00 0.00 37.83 33.63 1oms s LYS 48 CO 0.00 -0.81 1.45 0.08 0.10 0.00 0.00 175.35 176.17 1oms s VAL 49 N -2.63 2.22 0.00 1.79 1.01 -0.94 -5.04 120.40 116.81 1oms s VAL 49 Ca 0.62 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1oms s VAL 49 Cb -0.15 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1oms s VAL 49 CO 0.41 0.05 0.00 -2.65 0.00 0.00 0.00 175.10 172.91 1oms n PRO 50 N 0.73 2.68 0.00 2.72 -0.02 -1.26 -4.82 135.00 135.03 1oms n PRO 50 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1oms n PRO 50 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 1oms n PRO 50 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1oms n ASN 52 N 0.00 0.00 -0.01 2.55 3.02 -1.26 -2.40 115.26 117.16 1oms n ASN 52 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1oms n ASN 52 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1oms n ASN 52 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1oms h ILE 53 N 0.00 1.34 -0.17 2.41 2.04 -2.00 -2.47 117.51 118.66 1oms h ILE 53 Ca 0.00 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1oms h ILE 53 Cb 0.00 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1oms h ILE 53 CO 0.00 0.26 0.06 0.58 0.00 0.00 0.00 178.15 179.05 1oms h VAL 54 N -0.42 0.96 -0.85 1.67 2.07 -1.80 -2.04 116.25 115.84 1oms h VAL 54 Ca 0.00 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1oms h VAL 54 Cb 0.43 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1oms h VAL 54 CO 0.00 0.03 0.56 0.00 0.02 0.00 0.00 177.57 178.18 1oms h ALA 55 N 1.10 1.45 -0.01 1.67 0.00 -1.85 0.17 119.26 121.79 1oms h ALA 55 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1oms h ALA 55 Cb 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1oms h ALA 55 CO -0.07 0.47 -0.00 0.37 0.00 0.00 0.00 179.25 180.02 1oms h GLN 56 N 1.08 0.03 0.24 0.00 4.15 -1.14 -0.08 115.11 119.39 1oms h GLN 56 Ca 0.33 -0.01 -0.32 0.00 0.77 0.00 0.00 58.65 59.42 1oms h GLN 56 Cb -0.01 -0.00 0.04 0.00 0.21 0.00 0.00 27.48 27.72 1oms h GLN 56 CO -0.09 0.36 -1.41 -0.09 -1.93 0.00 0.00 178.83 175.67 1oms h ARG 57 N -0.31 0.52 -0.01 1.69 2.43 -1.26 -3.39 114.38 114.05 1oms h ARG 57 Ca 0.00 -0.88 0.00 0.00 -0.81 0.00 0.00 59.98 58.29 1oms h ARG 57 Cb 0.35 0.33 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1oms h ARG 57 CO 0.00 1.42 -0.17 0.66 -1.51 0.00 0.00 179.97 180.37 1oms n TYR 58 N -3.77 0.00 -0.01 2.20 4.01 0.57 -4.75 117.16 115.40 1oms n TYR 58 Ca -0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.48 1oms n TYR 58 Cb 1.07 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.07 1oms n TYR 58 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1oms h GLY 59 N 2.58 -0.20 0.99 2.72 0.00 -0.93 -0.05 103.07 108.18 1oms h GLY 59 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1oms h GLY 59 CO 0.00 -0.19 0.33 0.00 0.00 0.00 0.00 176.54 176.68 1oms h ALA 60 N 0.72 0.79 0.01 3.60 0.00 -1.86 -0.16 119.26 122.37 1oms h ALA 60 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oms h ALA 60 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1oms h ALA 60 CO -0.32 0.31 -0.01 0.77 0.00 0.00 0.00 179.25 180.00 1oms h SER 61 N 0.83 -0.01 -0.83 0.00 0.02 -1.85 -1.83 113.55 109.87 1oms h SER 61 Ca 0.22 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1oms h SER 61 Cb 0.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1oms h SER 61 CO -0.03 0.37 0.49 0.58 -1.14 0.00 0.00 176.83 177.10 1oms h VAL 62 N -0.40 1.23 -0.32 2.27 2.07 -0.94 -1.97 116.25 118.19 1oms h VAL 62 Ca -0.00 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1oms h VAL 62 Cb 0.39 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1oms h VAL 62 CO 0.00 0.25 -0.13 -0.09 0.02 0.00 0.00 177.57 177.62 1oms h ARG 63 N 1.15 0.55 -0.41 1.57 2.43 -1.01 0.25 114.38 118.91 1oms h ARG 63 Ca 0.30 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1oms h ARG 63 Cb -0.03 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1oms h ARG 63 CO -0.05 0.67 -0.31 0.37 -1.51 0.00 0.00 179.97 179.13 1oms h GLN 64 N 0.50 0.91 -0.48 0.20 4.15 -0.89 -1.38 115.11 118.12 1oms h GLN 64 Ca 0.09 -0.44 -0.12 0.00 0.77 0.00 0.00 58.65 58.95 1oms h GLN 64 Cb 0.53 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1oms h GLN 64 CO 0.03 1.09 -0.17 -0.44 -1.93 0.00 0.00 178.83 177.41 1oms h ASP 65 N 0.77 0.96 -0.09 -0.69 3.32 -1.03 -2.50 116.42 117.17 1oms h ASP 65 Ca 0.08 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 1oms h ASP 65 Cb 0.89 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1oms h ASP 65 CO 0.08 1.12 -0.18 0.58 -1.72 0.00 0.00 179.24 179.12 1oms h VAL 66 N 0.83 1.24 -0.21 -1.35 2.07 -0.83 -0.84 116.25 117.15 1oms h VAL 66 Ca 0.12 -1.10 -0.12 0.00 0.82 0.00 0.00 66.70 66.42 1oms h VAL 66 Cb 0.73 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1oms h VAL 66 CO 0.06 0.35 -0.36 -0.07 0.02 0.00 0.00 177.57 177.57 1oms h LEU 67 N 0.42 0.48 -0.17 2.57 3.38 -1.03 -1.50 115.31 119.46 1oms h LEU 67 Ca 0.07 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 1oms h LEU 67 Cb 0.55 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1oms h LEU 67 CO 0.04 0.81 -0.64 1.23 0.09 0.00 0.00 178.44 179.96 1oms h GLY 68 N 1.09 0.81 0.94 0.83 0.00 -1.09 -3.27 103.07 102.38 1oms h GLY 68 Ca 0.04 -1.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.27 1oms h GLY 68 CO 0.07 0.98 0.16 -1.80 0.00 0.00 0.00 176.54 175.95 1oms h ASP 69 N 0.45 0.45 0.00 0.19 1.82 -1.08 -2.76 116.42 115.49 1oms h ASP 69 Ca -0.03 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1oms h ASP 69 Cb 1.27 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1oms h ASP 69 CO 0.14 0.45 0.00 0.18 -1.61 0.00 0.00 179.24 178.39 1oms n LEU 70 N -4.74 1.43 0.00 2.28 4.77 -0.57 -0.60 117.00 119.57 1oms n LEU 70 Ca -0.01 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1oms n LEU 70 Cb 0.11 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1oms n LEU 70 CO 0.36 0.25 0.00 -0.24 -1.33 0.00 0.00 177.39 176.43 1oms n SER 72 N 1.15 0.00 -0.16 -1.43 2.88 -1.04 -0.46 113.62 114.56 1oms n SER 72 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1oms n SER 72 Cb 0.19 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.71 1oms n SER 72 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1oms h ARG 73 N 0.00 0.38 -0.04 -1.46 2.47 -1.13 -2.20 114.38 112.40 1oms h ARG 73 Ca 0.00 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 1oms h ARG 73 Cb 0.00 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1oms h ARG 73 CO 0.00 0.25 -0.37 -0.91 0.56 0.00 0.00 179.97 179.50 1oms h ASN 74 N 0.39 0.08 -0.47 7.04 2.35 -1.02 -0.35 115.58 123.59 1oms h ASN 74 Ca 0.23 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1oms h ASN 74 Cb 0.22 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1oms h ASN 74 CO -0.22 0.45 0.06 0.15 -1.65 0.00 0.00 177.43 176.22 1oms h PHE 75 N 0.07 0.85 0.04 1.19 3.57 -1.63 -0.09 116.94 120.94 1oms h PHE 75 Ca 0.01 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 1oms h PHE 75 Cb 0.69 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1oms h PHE 75 CO 0.00 0.80 -0.02 0.82 -2.23 0.00 0.00 178.31 177.68 1oms h ILE 76 N 0.66 1.08 -0.54 1.41 2.04 -1.08 -1.26 117.51 119.82 1oms h ILE 76 Ca 0.14 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.69 1oms h ILE 76 Cb 0.42 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1oms h ILE 76 CO 0.01 0.10 0.37 0.44 0.00 0.00 0.00 178.15 179.07 1oms h ASP 77 N -0.23 0.33 0.31 1.72 3.32 -0.96 -1.58 116.42 119.33 1oms h ASP 77 Ca -0.01 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1oms h ASP 77 Cb 0.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1oms h ASP 77 CO 0.01 0.20 -0.15 0.00 -1.72 0.00 0.00 179.24 177.58 1oms h ALA 78 N 1.72 -0.42 0.00 3.45 0.00 -0.48 -2.63 119.26 120.90 1oms h ALA 78 Ca 0.25 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1oms h ALA 78 Cb 0.49 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1oms h ALA 78 CO -0.06 -0.55 -0.17 -0.84 0.00 0.00 0.00 179.25 177.63 1oms h ILE 79 N -0.79 0.87 -0.33 0.00 3.07 -0.95 0.44 117.51 119.83 1oms h ILE 79 Ca -0.04 -0.64 -0.06 0.00 1.55 0.00 0.00 64.86 65.67 1oms h ILE 79 Cb 0.51 1.37 -0.01 0.00 -0.27 0.00 0.00 36.82 38.42 1oms h ILE 79 CO 0.07 0.17 -0.04 0.40 -1.05 0.00 0.00 178.15 177.70 1oms h ILE 80 N 0.00 1.27 -0.06 0.16 2.04 -1.30 -1.81 117.51 117.81 1oms h ILE 80 Ca -0.00 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.70 1oms h ILE 80 Cb 0.36 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1oms h ILE 80 CO 0.02 0.34 -0.50 0.11 0.00 0.00 0.00 178.15 178.13 1oms h LYS 81 N 0.40 0.15 -0.67 2.37 1.57 -0.98 -2.86 116.57 116.55 1oms h LYS 81 Ca 0.09 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1oms h LYS 81 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1oms h LYS 81 CO 0.02 0.62 0.00 0.39 -0.57 0.00 0.00 179.45 179.91 1oms n GLU 82 N -3.95 2.58 -4.22 3.15 -0.58 0.08 -4.92 120.64 112.77 1oms n GLU 82 Ca -0.02 -1.45 -0.33 0.00 -0.42 0.00 0.00 57.16 54.95 1oms n GLU 82 Cb 0.53 -1.70 -0.08 0.00 -0.57 0.00 0.00 31.44 29.61 1oms n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1oms n LYS 83 N 0.37 -0.86 -4.12 3.49 4.01 -0.79 -4.92 118.16 115.34 1oms n LYS 83 Ca 0.13 0.10 -0.10 0.00 -0.51 0.00 0.00 58.31 57.93 1oms n LYS 83 Cb 0.59 -3.70 -0.10 0.00 -0.51 0.00 0.00 35.03 31.31 1oms n LYS 83 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1oms s ILE 84 N -3.78 0.09 -0.08 -0.18 -4.36 -0.75 -5.06 121.20 107.07 1oms s ILE 84 Ca 0.31 -1.84 -0.20 0.00 -0.26 0.00 0.00 60.65 58.67 1oms s ILE 84 Cb -0.18 -2.06 0.04 0.00 1.25 0.00 0.00 42.46 41.51 1oms s ILE 84 CO 0.93 -0.39 0.46 0.54 0.24 0.00 0.00 174.94 176.71 1oms s ASN 85 N -3.05 -0.41 0.77 4.36 4.22 -1.26 -4.44 114.94 115.14 1oms s ASN 85 Ca 0.24 0.54 -0.13 0.00 -2.14 0.00 0.00 52.86 51.37 1oms s ASN 85 Cb 0.07 0.59 0.06 0.00 1.28 0.00 0.00 41.25 43.25 1oms s ASN 85 CO 0.02 -0.40 1.16 -2.84 -2.04 0.00 0.00 177.10 173.01 1oms s PRO 86 N -0.77 1.96 -0.04 3.55 0.02 -1.26 -4.45 135.00 134.00 1oms s PRO 86 Ca -0.08 1.57 0.08 0.00 0.02 0.00 0.00 61.00 62.58 1oms s PRO 86 Cb -0.03 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.54 1oms s PRO 86 CO 0.05 -1.93 0.11 0.00 -0.33 0.00 0.00 177.00 174.90 1oms n ALA 87 N -3.19 2.08 -3.90 -1.55 0.00 0.13 -4.85 120.51 109.23 1oms n ALA 87 Ca 0.12 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 1oms n ALA 87 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 1oms n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oms n GLY 88 N 2.24 3.72 3.74 0.00 0.00 -1.26 -5.02 105.19 108.61 1oms n GLY 88 Ca -0.07 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1oms n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oms s ALA 89 N -2.49 3.66 0.40 4.61 0.00 -1.26 -4.79 121.76 121.89 1oms s ALA 89 Ca 0.09 1.32 -0.20 0.00 0.00 0.00 0.00 51.96 53.17 1oms s ALA 89 Cb 0.00 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 1oms s ALA 89 CO 0.07 -0.74 0.91 -1.25 0.00 0.00 0.00 175.76 174.75 1oms s PRO 90 N 0.14 4.21 -0.24 0.00 0.04 -1.26 -4.80 135.00 133.10 1oms s PRO 90 Ca 0.62 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 1oms s PRO 90 Cb -0.42 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1oms s PRO 90 CO 0.39 0.02 0.01 0.99 0.04 0.00 0.00 177.00 178.46 1oms s THR 91 N -2.11 3.77 -0.22 1.26 2.01 0.13 -4.92 115.64 115.56 1oms s THR 91 Ca 0.60 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 1oms s THR 91 Cb -0.10 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 1oms s THR 91 CO 0.14 0.34 0.60 -0.31 -0.69 0.00 0.00 174.62 174.71 1oms s TYR 92 N 1.53 3.34 -0.60 4.92 2.02 -1.26 -0.66 117.35 126.64 1oms s TYR 92 Ca 0.05 0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 57.60 1oms s TYR 92 Cb -0.15 -2.78 0.15 0.00 -0.40 0.00 0.00 41.96 38.78 1oms s TYR 92 CO -0.00 -0.21 0.39 0.08 -1.57 0.00 0.00 175.55 174.24 1oms s VAL 93 N 2.05 3.39 0.59 0.71 1.01 0.84 -4.98 120.40 124.02 1oms s VAL 93 Ca 0.27 -3.08 -0.17 0.00 0.00 0.00 0.00 61.98 59.00 1oms s VAL 93 Cb -0.16 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1oms s VAL 93 CO 0.10 -0.86 1.11 -2.16 0.00 0.00 0.00 175.10 173.29 1oms s PRO 94 N -0.15 3.13 0.00 2.72 0.04 -1.26 -0.73 135.00 138.75 1oms s PRO 94 Ca 0.17 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1oms s PRO 94 Cb -0.22 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1oms s PRO 94 CO -0.02 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1oms n GLY 95 N -0.23 1.63 3.73 0.56 0.00 -0.61 -4.90 105.19 105.37 1oms n GLY 95 Ca 0.11 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1oms n GLY 95 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oms s GLU 96 N -0.33 4.63 -0.21 1.61 2.12 -1.26 -4.96 118.70 120.30 1oms s GLU 96 Ca 0.00 1.56 -0.13 0.00 0.36 0.00 0.00 54.97 56.76 1oms s GLU 96 Cb 0.00 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 1oms s GLU 96 CO 0.00 0.10 0.26 -0.47 -0.54 0.00 0.00 175.26 174.61 1oms s TYR 97 N 0.12 3.38 -0.19 5.30 5.04 -1.26 -4.71 117.35 125.03 1oms s TYR 97 Ca 0.49 0.44 0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1oms s TYR 97 Cb -0.25 -2.35 0.02 0.00 0.35 0.00 0.00 41.96 39.73 1oms s TYR 97 CO 0.31 0.11 -0.19 0.15 -1.34 0.00 0.00 175.55 174.59 1oms s LYS 98 N 0.91 2.91 -0.36 4.97 1.02 -1.26 -5.07 119.74 122.87 1oms s LYS 98 Ca 0.13 -0.88 -0.43 0.00 0.02 0.00 0.00 55.97 54.80 1oms s LYS 98 Cb -0.13 -2.61 -0.18 0.00 -0.52 0.00 0.00 37.83 34.39 1oms s LYS 98 CO 0.04 -0.25 1.64 -0.11 -0.92 0.00 0.00 175.35 175.76 1oms n LEU 99 N 4.60 1.74 0.00 3.17 7.94 -1.26 -0.49 117.00 132.70 1oms n LEU 99 Ca -0.20 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1oms n LEU 99 Cb 0.49 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1oms n LEU 99 CO 0.25 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.45 1oms n GLY 100 N 3.95 0.92 3.69 -3.96 0.00 -1.26 -5.04 105.19 103.50 1oms n GLY 100 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 1oms n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oms s GLU 101 N -0.09 2.46 0.54 1.61 2.02 0.36 -4.84 118.70 120.76 1oms s GLU 101 Ca 0.00 -1.31 -0.21 0.00 0.02 0.00 0.00 54.97 53.47 1oms s GLU 101 Cb 0.00 -2.27 -0.07 0.00 0.10 0.00 0.00 34.13 31.89 1oms s GLU 101 CO 0.00 0.38 1.04 -0.25 0.02 0.00 0.00 175.26 176.45 1oms n ASP 102 N -0.92 1.25 -4.23 -0.19 10.43 -1.26 -4.57 116.55 117.06 1oms n ASP 102 Ca -0.07 0.91 -0.32 0.00 2.57 0.00 0.00 54.79 57.87 1oms n ASP 102 Cb 0.58 -1.41 -0.17 0.00 1.84 0.00 0.00 41.12 41.97 1oms n ASP 102 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1oms s PHE 103 N -1.41 2.59 0.01 1.24 5.36 -0.73 -4.75 117.98 120.29 1oms s PHE 103 Ca 0.71 -1.04 0.06 0.00 -0.96 0.00 0.00 56.93 55.69 1oms s PHE 103 Cb -0.46 -1.73 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 1oms s PHE 103 CO 0.51 -0.42 -0.16 0.99 -1.46 0.00 0.00 175.22 174.67 1oms s THR 104 N 0.38 2.92 0.24 0.12 2.01 -1.26 0.20 115.64 120.25 1oms s THR 104 Ca -0.17 -1.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.65 1oms s THR 104 Cb -0.18 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.15 1oms s THR 104 CO 0.08 0.43 0.59 -0.72 -0.69 0.00 0.00 174.62 174.31 1oms s TYR 105 N -0.86 -0.02 0.23 4.92 -0.85 -0.17 -1.58 117.35 119.02 1oms s TYR 105 Ca 0.14 -0.36 0.09 0.00 -0.52 0.00 0.00 57.07 56.41 1oms s TYR 105 Cb -0.11 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 1oms s TYR 105 CO 0.04 -1.06 -0.15 -1.12 -1.52 0.00 0.00 175.55 171.74 1oms s SER 106 N -2.93 2.82 -0.06 -0.18 0.01 0.09 -0.27 113.70 113.19 1oms s SER 106 Ca 0.13 -1.04 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 1oms s SER 106 Cb -0.03 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.06 1oms s SER 106 CO 0.04 -0.14 0.06 -0.69 0.41 0.00 0.00 173.24 172.91 1oms s VAL 107 N -2.87 -0.06 -0.00 3.43 1.01 -0.10 -0.11 120.40 121.70 1oms s VAL 107 Ca 0.25 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1oms s VAL 107 Cb -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1oms s VAL 107 CO 0.09 0.13 0.05 -1.61 0.00 0.00 0.00 175.10 173.76 1oms s GLU 108 N 2.15 2.97 0.02 2.72 2.02 0.17 -0.94 118.70 127.81 1oms s GLU 108 Ca 0.05 -0.53 -0.28 0.00 0.02 0.00 0.00 54.97 54.22 1oms s GLU 108 Cb -0.13 -2.80 0.10 0.00 0.10 0.00 0.00 34.13 31.41 1oms s GLU 108 CO -0.04 0.64 1.23 -0.59 0.02 0.00 0.00 175.26 176.52 1oms s PHE 109 N -1.16 -0.02 0.30 1.61 -0.12 -0.72 0.23 117.98 118.09 1oms s PHE 109 Ca 0.22 -0.14 0.10 0.00 -0.05 0.00 0.00 56.93 57.06 1oms s PHE 109 Cb -0.12 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.80 1oms s PHE 109 CO 0.13 -0.40 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.65 1oms s GLU 110 N -2.38 2.09 0.24 1.99 2.02 -1.26 -0.49 118.70 120.91 1oms s GLU 110 Ca 0.19 -1.61 0.12 0.00 0.02 0.00 0.00 54.97 53.68 1oms s GLU 110 Cb 0.02 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 1oms s GLU 110 CO -0.01 0.27 -0.22 0.08 0.02 0.00 0.00 175.26 175.40 1oms s VAL 111 N -2.43 2.42 0.17 2.63 1.01 -1.16 0.21 120.40 123.23 1oms s VAL 111 Ca 0.32 -2.23 -0.30 0.00 0.00 0.00 0.00 61.98 59.78 1oms s VAL 111 Cb -0.04 -2.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 1oms s VAL 111 CO 0.19 -0.26 1.16 -0.31 0.00 0.00 0.00 175.10 175.88 1oms s TYR 112 N -2.10 3.48 0.36 5.22 1.51 -1.26 -4.85 117.35 119.71 1oms s TYR 112 Ca 0.25 1.47 -0.28 0.00 -1.01 0.00 0.00 57.07 57.50 1oms s TYR 112 Cb -0.06 -3.38 -0.12 0.00 -0.11 0.00 0.00 41.96 38.29 1oms s TYR 112 CO 0.12 -1.01 1.38 -2.30 -1.11 0.00 0.00 175.55 172.63 1oms n PRO 113 N 2.63 2.37 -4.39 -1.71 -0.02 -1.26 -5.02 135.00 127.60 1oms n PRO 113 Ca 0.04 0.83 -0.22 0.00 -2.02 0.00 0.00 63.50 62.13 1oms n PRO 113 Cb 0.45 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.37 1oms n PRO 113 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1oms s GLU 114 N -1.98 1.82 0.00 -0.52 2.02 -1.26 -5.27 118.70 113.51 1oms s GLU 114 Ca 0.54 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1oms s GLU 114 Cb -0.53 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 33.58 1oms s GLU 114 CO 0.63 -0.56 0.20 0.28 0.02 0.00 0.00 175.26 175.83