#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ist s GLN 3 N 0.00 3.43 0.27 4.33 -0.21 -1.26 -0.95 119.66 125.27 1ist s GLN 3 Ca 0.00 -0.65 0.07 0.00 0.02 0.00 0.00 55.36 54.79 1ist s GLN 3 Cb 0.00 -2.71 -0.06 0.00 1.00 0.00 0.00 33.01 31.24 1ist s GLN 3 CO 0.00 0.18 -0.07 0.14 -2.12 0.00 0.00 175.29 173.43 1ist s VAL 4 N 0.45 1.62 0.06 1.09 -7.23 -0.43 -1.59 120.40 114.37 1ist s VAL 4 Ca -0.08 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 57.95 1ist s VAL 4 Cb -0.15 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1ist s VAL 4 CO 0.04 -0.34 -0.02 -0.72 -0.31 0.00 0.00 175.10 173.76 1ist s TYR 5 N -3.03 0.54 -0.09 2.82 -0.85 0.23 -0.57 117.35 116.40 1ist s TYR 5 Ca 0.29 -1.08 0.02 0.00 -0.52 0.00 0.00 57.07 55.78 1ist s TYR 5 Cb 0.03 -0.39 0.01 0.00 0.38 0.00 0.00 41.96 41.99 1ist s TYR 5 CO 0.11 -0.39 -0.15 -0.06 -1.52 0.00 0.00 175.55 173.54 1ist s PHE 6 N -3.93 1.84 -0.35 -3.49 0.08 0.21 -1.47 117.98 110.87 1ist s PHE 6 Ca 0.08 -0.78 -0.16 0.00 0.12 0.00 0.00 56.93 56.19 1ist s PHE 6 Cb 0.08 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.20 1ist s PHE 6 CO -0.09 -0.39 0.42 -0.51 -0.10 0.00 0.00 175.22 174.55 1ist s ASP 7 N 0.78 6.22 -0.04 1.36 1.01 0.88 -1.34 116.67 125.54 1ist s ASP 7 Ca -0.11 -0.21 -0.03 0.00 0.71 0.00 0.00 52.55 52.91 1ist s ASP 7 Cb -0.16 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1ist s ASP 7 CO 0.02 -0.41 0.12 -0.69 0.21 0.00 0.00 175.17 174.42 1ist s VAL 8 N 2.15 5.09 0.06 -1.27 1.01 -0.35 -0.27 120.40 126.82 1ist s VAL 8 Ca 0.14 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1ist s VAL 8 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1ist s VAL 8 CO 0.12 0.44 -0.15 -1.61 0.00 0.00 0.00 175.10 173.90 1ist s GLU 9 N -1.53 0.89 -0.25 2.72 2.02 -0.24 -0.26 118.70 122.05 1ist s GLU 9 Ca 0.21 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 1ist s GLU 9 Cb -0.12 -0.92 0.03 0.00 0.10 0.00 0.00 34.13 33.22 1ist s GLU 9 CO 0.12 0.21 -0.07 0.00 0.02 0.00 0.00 175.26 175.54 1ist s ALA 10 N -1.09 2.68 -1.21 5.21 0.00 0.32 -1.53 121.76 126.13 1ist s ALA 10 Ca 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 51.96 50.42 1ist s ALA 10 Cb -0.09 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.40 1ist s ALA 10 CO 0.02 -0.83 0.35 -0.25 0.00 0.00 0.00 175.76 175.05 1ist n ASP 11 N 4.65 -3.91 0.00 0.00 8.00 0.43 -1.63 116.55 124.10 1ist n ASP 11 Ca -0.16 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1ist n ASP 11 Cb 0.47 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.31 1ist n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ist n GLY 12 N -1.08 3.12 3.79 0.44 0.00 -1.26 -5.01 105.19 105.19 1ist n GLY 12 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ist n GLY 12 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ist s GLN 13 N -0.62 4.13 0.05 1.61 -2.07 -0.64 -5.03 119.66 117.09 1ist s GLN 13 Ca 0.00 0.48 -0.30 0.00 -1.82 0.00 0.00 55.36 53.71 1ist s GLN 13 Cb 0.00 -3.31 -0.08 0.00 -1.09 0.00 0.00 33.01 28.53 1ist s GLN 13 CO 0.00 0.48 1.74 -2.14 -1.32 0.00 0.00 175.29 174.05 1ist s PRO 14 N -0.43 4.17 -0.12 9.60 0.02 -1.26 -0.52 135.00 146.46 1ist s PRO 14 Ca 0.25 2.40 -0.16 0.00 0.02 0.00 0.00 61.00 63.52 1ist s PRO 14 Cb -0.17 -3.76 -0.26 0.00 0.02 0.00 0.00 34.50 30.33 1ist s PRO 14 CO 0.13 -0.81 0.48 0.82 -0.33 0.00 0.00 177.00 177.28 1ist h ILE 15 N 5.07 0.97 0.00 2.83 2.04 -0.97 -3.47 117.51 123.98 1ist h ILE 15 Ca -0.44 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.07 1ist h ILE 15 Cb 1.21 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1ist h ILE 15 CO 0.94 0.66 0.00 0.61 0.00 0.00 0.00 178.15 180.36 1ist n GLY 16 N 1.72 0.31 3.41 5.37 0.00 -1.20 -5.01 105.19 109.79 1ist n GLY 16 Ca -0.27 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 1ist n GLY 16 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ist s ARG 17 N -2.00 3.48 -0.16 1.61 3.52 -1.26 -1.21 118.95 122.93 1ist s ARG 17 Ca 0.00 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1ist s ARG 17 Cb 0.00 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 1ist s ARG 17 CO 0.00 0.20 -0.01 0.08 -0.81 0.00 0.00 175.30 174.76 1ist s VAL 18 N 0.42 4.14 -0.12 7.11 1.01 -0.45 -4.16 120.40 128.36 1ist s VAL 18 Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1ist s VAL 18 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1ist s VAL 18 CO 0.04 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 1ist s VAL 19 N 0.33 3.07 0.01 2.92 1.01 -0.38 -0.62 120.40 126.74 1ist s VAL 19 Ca -0.02 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1ist s VAL 19 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1ist s VAL 19 CO 0.02 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.14 1ist s PHE 20 N 0.17 2.64 -0.20 5.22 0.40 0.26 -0.94 117.98 125.53 1ist s PHE 20 Ca -0.07 -0.20 -0.07 0.00 -0.60 0.00 0.00 56.93 55.98 1ist s PHE 20 Cb -0.15 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1ist s PHE 20 CO 0.05 0.24 0.07 0.21 0.70 0.00 0.00 175.22 176.48 1ist s LYS 21 N -1.20 3.91 -0.10 0.44 2.20 -0.19 -1.31 119.74 123.49 1ist s LYS 21 Ca 0.14 -0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.34 1ist s LYS 21 Cb -0.11 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1ist s LYS 21 CO 0.04 0.18 0.06 -0.51 -0.36 0.00 0.00 175.35 174.76 1ist s LEU 22 N 0.63 3.91 -1.39 5.43 1.43 -0.12 -1.00 118.68 127.56 1ist s LEU 22 Ca 0.03 0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1ist s LEU 22 Cb -0.13 -1.93 0.09 0.00 0.03 0.00 0.00 46.19 44.25 1ist s LEU 22 CO 0.01 0.39 2.13 -1.22 0.23 0.00 0.00 176.35 177.89 1ist n TYR 23 N 2.05 3.16 0.09 0.29 4.01 0.97 -3.87 117.16 123.87 1ist n TYR 23 Ca -0.19 -2.90 -0.00 0.00 -0.16 0.00 0.00 57.90 54.65 1ist n TYR 23 Cb 0.54 -2.26 0.29 0.00 -0.31 0.00 0.00 39.34 37.61 1ist n TYR 23 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1ist h ASN 24 N 5.76 0.27 1.02 7.72 4.21 -1.85 -0.97 115.58 131.74 1ist h ASN 24 Ca 0.52 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.95 1ist h ASN 24 Cb 0.60 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1ist h ASN 24 CO 1.75 0.54 0.00 -0.90 -1.29 0.00 0.00 177.43 177.53 1ist n ASP 25 N -4.15 0.25 -0.10 5.81 3.85 -1.26 -2.88 116.55 118.07 1ist n ASP 25 Ca -0.01 0.53 -0.17 0.00 -0.71 0.00 0.00 54.79 54.43 1ist n ASP 25 Cb 0.37 -0.60 -0.08 0.00 -1.35 0.00 0.00 41.12 39.47 1ist n ASP 25 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 1ist n ILE 26 N -1.74 1.08 -3.26 2.12 5.41 -0.85 -4.80 119.36 117.32 1ist n ILE 26 Ca 0.06 -0.34 -0.25 0.00 1.00 0.00 0.00 62.75 63.21 1ist n ILE 26 Cb 0.33 -1.46 -0.07 0.00 -0.71 0.00 0.00 39.64 37.73 1ist n ILE 26 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1ist n VAL 27 N -3.46 1.00 -0.24 1.39 0.24 -0.43 -4.92 118.33 111.90 1ist n VAL 27 Ca -0.36 -4.73 -0.04 0.00 -2.04 0.00 0.00 64.34 57.17 1ist n VAL 27 Cb 0.81 -1.79 0.06 0.00 -1.47 0.00 0.00 33.84 31.46 1ist n VAL 27 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1ist h PRO 28 N 3.86 0.86 -0.50 7.34 0.13 -1.69 0.02 132.00 142.02 1ist h PRO 28 Ca 0.13 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 1ist h PRO 28 Cb 0.76 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1ist h PRO 28 CO 0.66 0.57 -0.02 0.87 -0.23 0.00 0.00 178.00 179.84 1ist h LYS 29 N 0.88 0.86 -0.04 0.86 1.57 -1.93 0.15 116.57 118.92 1ist h LYS 29 Ca 0.26 -0.25 -0.22 0.00 -1.87 0.00 0.00 60.65 58.57 1ist h LYS 29 Cb -0.04 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.20 1ist h LYS 29 CO -0.08 0.87 -0.82 1.15 -0.57 0.00 0.00 179.45 180.00 1ist h THR 30 N 0.79 1.32 -0.72 -0.16 2.02 -1.91 -1.13 112.91 113.13 1ist h THR 30 Ca 0.15 -2.10 -0.06 0.00 0.77 0.00 0.00 66.41 65.17 1ist h THR 30 Cb 0.51 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 1ist h THR 30 CO 0.03 0.64 0.22 0.00 0.37 0.00 0.00 175.52 176.78 1ist h ALA 31 N 0.42 1.03 -0.78 6.16 0.00 -0.93 -2.30 119.26 122.86 1ist h ALA 31 Ca -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1ist h ALA 31 Cb 1.48 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1ist h ALA 31 CO 0.16 0.65 0.33 1.49 0.00 0.00 0.00 179.25 181.88 1ist h GLU 32 N 1.06 1.15 -0.08 0.00 4.57 -0.57 -0.60 114.58 120.11 1ist h GLU 32 Ca 0.23 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1ist h GLU 32 Cb 0.30 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1ist h GLU 32 CO -0.01 0.92 -0.02 -0.97 -1.18 0.00 0.00 179.01 177.76 1ist h ASN 33 N 1.12 -0.07 -0.43 1.04 -1.24 -0.81 -1.76 115.58 113.43 1ist h ASN 33 Ca 0.26 0.02 -0.12 0.00 0.71 0.00 0.00 56.30 57.17 1ist h ASN 33 Cb 0.19 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1ist h ASN 33 CO -0.02 -0.02 -0.20 0.15 -1.29 0.00 0.00 177.43 176.05 1ist h PHE 34 N 0.00 1.03 0.28 0.67 3.04 -1.27 -2.50 116.94 118.19 1ist h PHE 34 Ca 0.04 -0.25 -0.01 0.00 3.98 0.00 0.00 57.97 61.73 1ist h PHE 34 Cb 0.05 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 1ist h PHE 34 CO -0.13 1.04 -0.18 -0.09 -2.02 0.00 0.00 178.31 176.93 1ist h ARG 35 N 0.73 -0.43 -0.36 1.11 2.43 -0.97 -0.27 114.38 116.62 1ist h ARG 35 Ca 0.10 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1ist h ARG 35 Cb 0.76 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1ist h ARG 35 CO 0.06 -0.29 0.24 0.00 -1.51 0.00 0.00 179.97 178.48 1ist h ALA 36 N 0.26 1.88 0.00 2.80 0.00 -1.33 -0.78 119.26 122.08 1ist h ALA 36 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1ist h ALA 36 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ist h ALA 36 CO 0.02 0.07 -0.57 -0.07 0.00 0.00 0.00 179.25 178.71 1ist h LEU 37 N 0.37 0.00 -0.27 0.00 3.38 -1.12 -1.87 115.31 115.80 1ist h LEU 37 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1ist h LEU 37 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ist h LEU 37 CO -0.03 0.57 -0.05 0.00 0.09 0.00 0.00 178.44 179.01 1ist h THR 39 N 0.27 0.83 -0.07 0.00 1.35 -1.08 -3.21 112.91 111.00 1ist h THR 39 Ca 0.07 -1.59 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 1ist h THR 39 Cb 0.52 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1ist h THR 39 CO 0.02 0.37 -0.03 0.61 -0.25 0.00 0.00 175.52 176.25 1ist n GLY 40 N 0.41 0.51 0.28 5.82 0.00 -0.72 -4.94 105.19 106.55 1ist n GLY 40 Ca 0.00 -0.30 0.18 0.00 0.00 0.00 0.00 46.02 45.90 1ist n GLY 40 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ist h GLU 41 N 0.52 0.00 -0.12 1.61 4.11 -1.79 -1.99 114.58 116.92 1ist h GLU 41 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ist h GLU 41 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ist h GLU 41 CO 0.05 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.76 1ist n LYS 42 N -3.06 1.48 0.00 1.06 5.02 -1.26 -4.91 118.16 116.49 1ist n LYS 42 Ca 0.00 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 1ist n LYS 42 Cb 0.27 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1ist n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ist n GLY 43 N 1.00 1.52 3.19 0.72 0.00 -0.75 -5.05 105.19 105.83 1ist n GLY 43 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1ist n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ist s PHE 44 N -2.32 0.81 -2.21 1.61 -0.71 -1.25 -5.09 117.98 108.82 1ist s PHE 44 Ca 0.00 -1.17 0.00 0.00 -1.04 0.00 0.00 56.93 54.72 1ist s PHE 44 Cb 0.00 -0.41 0.00 0.00 -1.21 0.00 0.00 43.02 41.40 1ist s PHE 44 CO 0.00 -0.58 0.00 0.41 -1.34 0.00 0.00 175.22 173.71 1ist n GLY 45 N -0.14 -0.95 0.16 1.99 0.00 -1.26 -4.30 105.19 100.69 1ist n GLY 45 Ca -0.05 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 45.11 1ist n GLY 45 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ist h TYR 46 N 0.00 0.00 -1.95 1.61 0.05 -1.52 -3.45 116.97 111.71 1ist h TYR 46 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.14 1ist h TYR 46 Cb 0.00 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.79 1ist h TYR 46 CO 0.00 0.38 0.67 0.00 -1.05 0.00 0.00 178.16 178.16 1ist n ALA 47 N -2.20 0.19 -0.34 3.88 0.00 -1.26 -1.31 120.51 119.47 1ist n ALA 47 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1ist n ALA 47 Cb 0.67 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1ist n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ist n GLY 48 N 3.13 0.95 3.93 0.00 0.00 0.18 -5.00 105.19 108.39 1ist n GLY 48 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1ist n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ist s SER 49 N -2.99 6.37 0.43 1.61 1.04 -0.43 -4.81 113.70 114.92 1ist s SER 49 Ca 0.00 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1ist s SER 49 Cb 0.00 -1.97 -0.01 0.00 0.10 0.00 0.00 66.02 64.14 1ist s SER 49 CO 0.00 -0.02 0.65 -2.16 0.98 0.00 0.00 173.24 172.70 1ist s PRO 50 N -3.33 3.14 -0.71 4.02 0.04 -1.26 -1.41 135.00 135.50 1ist s PRO 50 Ca 0.37 -0.45 -0.21 0.00 0.04 0.00 0.00 61.00 60.74 1ist s PRO 50 Cb -0.11 -2.57 0.09 0.00 0.04 0.00 0.00 34.50 31.95 1ist s PRO 50 CO 0.29 -0.20 0.96 -0.06 0.04 0.00 0.00 177.00 178.03 1ist s PHE 51 N -2.52 2.81 -0.78 0.56 0.40 -0.91 -3.71 117.98 113.83 1ist s PHE 51 Ca 0.47 -0.78 0.26 0.00 -0.60 0.00 0.00 56.93 56.28 1ist s PHE 51 Cb -0.10 -4.25 0.75 0.00 0.51 0.00 0.00 43.02 39.92 1ist s PHE 51 CO 0.38 -1.57 1.66 -2.39 0.70 0.00 0.00 175.22 174.00 1ist n HIS 52 N 7.29 0.60 -3.63 0.36 1.44 -1.05 -4.68 115.22 115.55 1ist n HIS 52 Ca 0.01 0.18 -0.26 0.00 -2.01 0.00 0.00 57.72 55.64 1ist n HIS 52 Cb 0.46 -0.74 -0.17 0.00 0.12 0.00 0.00 29.99 29.66 1ist n HIS 52 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1ist s ARG 53 N -3.09 0.15 -0.20 -1.40 3.52 -1.20 -4.70 118.95 112.04 1ist s ARG 53 Ca 0.10 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1ist s ARG 53 Cb 0.14 -1.82 0.04 0.00 -1.56 0.00 0.00 34.95 31.75 1ist s ARG 53 CO 0.62 -0.65 -0.13 0.08 -0.81 0.00 0.00 175.30 174.41 1ist s VAL 54 N 2.10 1.81 -0.35 7.11 1.01 -0.05 0.43 120.40 132.45 1ist s VAL 54 Ca 0.02 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1ist s VAL 54 Cb -0.16 -1.80 0.09 0.00 0.00 0.00 0.00 36.38 34.52 1ist s VAL 54 CO -0.09 0.27 0.09 -0.63 0.00 0.00 0.00 175.10 174.74 1ist s ILE 55 N 1.34 2.74 0.21 2.22 1.01 0.48 -2.88 121.20 126.32 1ist s ILE 55 Ca -0.00 -2.06 -0.31 0.00 0.00 0.00 0.00 60.65 58.29 1ist s ILE 55 Cb -0.16 -2.87 -0.15 0.00 0.01 0.00 0.00 42.46 39.29 1ist s ILE 55 CO -0.09 -0.52 1.00 -0.81 0.00 0.00 0.00 174.94 174.51 1ist n PRO 56 N 4.44 1.00 -3.19 2.79 -0.04 -1.26 -2.08 135.00 136.66 1ist n PRO 56 Ca -0.02 0.35 -0.23 0.00 -0.04 0.00 0.00 63.50 63.56 1ist n PRO 56 Cb 0.42 -1.72 0.02 0.00 -0.04 0.00 0.00 33.50 32.18 1ist n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ist n ASP 57 N 1.70 -5.21 0.00 3.54 8.00 -1.26 -4.80 116.55 118.52 1ist n ASP 57 Ca 0.14 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1ist n ASP 57 Cb 0.27 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 1ist n ASP 57 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1ist n PHE 58 N -4.32 0.00 -3.68 1.24 7.35 -0.95 -4.78 117.46 112.33 1ist n PHE 58 Ca -0.07 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.53 1ist n PHE 58 Cb 0.59 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.40 1ist n PHE 58 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ist s MET 59 N 0.00 1.54 -0.20 -4.13 0.23 -0.88 -0.25 119.30 115.61 1ist s MET 59 Ca 0.00 -0.75 -0.08 0.00 -1.03 0.00 0.00 55.69 53.83 1ist s MET 59 Cb 0.00 0.59 -0.04 0.00 -1.53 0.00 0.00 34.83 33.84 1ist s MET 59 CO 0.00 -0.69 0.08 -0.51 -2.03 0.00 0.00 175.02 171.87 1ist s LEU 60 N -2.84 3.87 -0.04 0.18 1.02 -0.52 -0.39 118.68 119.95 1ist s LEU 60 Ca 0.07 0.08 0.06 0.00 0.02 0.00 0.00 54.13 54.36 1ist s LEU 60 Cb -0.04 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 1ist s LEU 60 CO -0.01 0.14 -0.23 -1.58 0.02 0.00 0.00 176.35 174.69 1ist s GLN 61 N 0.55 2.17 0.00 1.70 0.74 0.17 -0.87 119.66 124.12 1ist s GLN 61 Ca 0.04 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.63 1ist s GLN 61 Cb -0.13 -1.93 0.00 0.00 1.10 0.00 0.00 33.01 32.05 1ist s GLN 61 CO 0.01 0.40 0.00 0.41 -0.55 0.00 0.00 175.29 175.56 1ist n GLY 62 N 2.82 4.15 1.19 2.59 0.00 -0.48 -2.52 105.19 112.94 1ist n GLY 62 Ca -0.17 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1ist n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ist n GLY 63 N 0.00 0.70 3.45 -0.02 0.00 -1.24 -1.86 105.19 106.22 1ist n GLY 63 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1ist n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ist s ASP 64 N -3.00 6.56 0.00 1.61 2.15 -1.26 -3.82 116.67 118.90 1ist s ASP 64 Ca 0.00 -1.88 0.19 0.00 0.43 0.00 0.00 52.55 51.29 1ist s ASP 64 Cb 0.00 -2.40 0.61 0.00 -0.30 0.00 0.00 42.92 40.83 1ist s ASP 64 CO 0.00 -1.12 1.47 2.22 -0.17 0.00 0.00 175.17 177.57 1ist n PHE 65 N 6.72 0.33 -0.11 -5.34 1.16 -1.26 -2.17 117.46 116.79 1ist n PHE 65 Ca 0.20 -0.16 -0.17 0.00 -1.87 0.00 0.00 57.45 55.44 1ist n PHE 65 Cb 0.48 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.26 1ist n PHE 65 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1ist n THR 66 N 0.56 1.21 0.02 1.97 -2.24 -1.26 -4.79 114.28 109.75 1ist n THR 66 Ca 0.16 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1ist n THR 66 Cb 0.37 -1.37 -0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1ist n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ist n ALA 67 N -3.32 2.07 -1.28 6.98 0.00 -1.26 -4.97 120.51 118.73 1ist n ALA 67 Ca -0.39 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1ist n ALA 67 Cb 0.87 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 20.26 1ist n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ist n GLY 68 N 1.38 0.99 0.08 0.00 0.00 -0.92 -4.81 105.19 101.90 1ist n GLY 68 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1ist n GLY 68 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ist n ASN 69 N -0.85 0.86 0.00 1.61 0.23 -1.26 -4.72 115.26 111.13 1ist n ASN 69 Ca -0.10 -1.65 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 1ist n ASN 69 Cb 0.51 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1ist n ASN 69 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ist n GLY 70 N -0.30 0.66 0.01 4.83 0.00 -1.26 -4.94 105.19 104.19 1ist n GLY 70 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1ist n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ist n THR 71 N -2.02 0.00 -0.79 2.61 -2.24 -1.26 -5.02 114.28 105.56 1ist n THR 71 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1ist n THR 71 Cb 0.00 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1ist n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ist n GLY 72 N 1.46 3.88 0.00 3.38 0.00 -1.26 -5.03 105.19 107.62 1ist n GLY 72 Ca -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1ist n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ist n GLY 73 N 5.00 -0.39 3.50 -0.02 0.00 -1.26 -4.73 105.19 107.29 1ist n GLY 73 Ca 0.00 -1.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 1ist n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ist s LYS 74 N -2.31 1.09 0.99 1.61 -2.85 -1.26 -4.76 119.74 112.25 1ist s LYS 74 Ca 0.00 0.12 -0.17 0.00 -1.00 0.00 0.00 55.97 54.92 1ist s LYS 74 Cb 0.00 0.51 0.22 0.00 -2.06 0.00 0.00 37.83 36.50 1ist s LYS 74 CO 0.00 -0.37 1.33 -1.54 0.10 0.00 0.00 175.35 174.87 1ist s SER 75 N -1.47 2.86 0.00 0.03 1.04 -1.25 -4.09 113.70 110.81 1ist s SER 75 Ca -0.09 0.23 0.21 0.00 0.48 0.00 0.00 55.95 56.77 1ist s SER 75 Cb -0.00 -0.23 0.77 0.00 0.10 0.00 0.00 66.02 66.66 1ist s SER 75 CO 0.06 -2.89 1.55 2.30 0.98 0.00 0.00 173.24 175.24 1ist n ILE 76 N -3.87 0.20 -0.50 -1.02 -5.35 -1.26 -4.05 119.36 103.51 1ist n ILE 76 Ca 0.16 -0.33 0.11 0.00 -0.27 0.00 0.00 62.75 62.42 1ist n ILE 76 Cb 0.59 0.34 0.35 0.00 -1.74 0.00 0.00 39.64 39.18 1ist n ILE 76 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1ist n TYR 77 N 0.26 1.25 -1.00 4.28 4.01 -1.26 -4.95 117.16 119.75 1ist n TYR 77 Ca 0.16 -0.55 -0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1ist n TYR 77 Cb 0.31 -0.12 -0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1ist n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ist n GLY 78 N 1.44 0.46 0.00 2.72 0.00 -1.26 -4.93 105.19 103.62 1ist n GLY 78 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ist n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ist n GLY 79 N -2.63 0.18 3.75 -0.02 0.00 -1.26 -5.08 105.19 100.13 1ist n GLY 79 Ca -0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1ist n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ist n LYS 80 N -0.34 2.61 -4.35 1.61 5.02 -1.26 -4.42 118.16 117.03 1ist n LYS 80 Ca 0.00 0.92 -0.23 0.00 -2.02 0.00 0.00 58.31 56.98 1ist n LYS 80 Cb 0.00 -2.66 -0.08 0.00 -0.02 0.00 0.00 35.03 32.27 1ist n LYS 80 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ist s PHE 81 N -0.54 2.56 0.66 2.13 -0.71 -0.07 -4.79 117.98 117.22 1ist s PHE 81 Ca 0.59 -0.28 -0.16 0.00 -1.04 0.00 0.00 56.93 56.04 1ist s PHE 81 Cb -0.50 -1.17 0.00 0.00 -1.21 0.00 0.00 43.02 40.14 1ist s PHE 81 CO 0.56 0.63 1.16 -1.25 -1.34 0.00 0.00 175.22 174.98 1ist s PRO 82 N -3.63 2.64 0.05 1.99 0.04 -1.26 -2.03 135.00 132.79 1ist s PRO 82 Ca 0.31 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1ist s PRO 82 Cb -0.05 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1ist s PRO 82 CO 0.18 -1.41 1.86 -0.51 0.04 0.00 0.00 177.00 177.16 1ist s ASP 83 N -2.18 6.49 -0.03 6.66 1.01 -1.26 -4.84 116.67 122.52 1ist s ASP 83 Ca 0.71 2.61 -0.21 0.00 0.71 0.00 0.00 52.55 56.38 1ist s ASP 83 Cb -0.25 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 40.99 1ist s ASP 83 CO 0.40 -1.01 0.92 -0.08 0.21 0.00 0.00 175.17 175.61 1ist h GLU 84 N 9.76 -0.32 -2.32 8.23 4.81 -2.01 -3.49 114.58 129.25 1ist h GLU 84 Ca -0.47 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1ist h GLU 84 Cb 1.22 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 1ist h GLU 84 CO 0.94 0.04 0.50 0.54 -0.73 0.00 0.00 179.01 180.31 1ist s ASN 85 N -5.28 -0.16 -0.24 1.04 2.20 -1.26 -5.06 114.94 106.19 1ist s ASN 85 Ca -0.12 -0.42 0.11 0.00 -0.94 0.00 0.00 52.86 51.49 1ist s ASN 85 Cb 0.01 0.48 0.45 0.00 -2.00 0.00 0.00 41.25 40.18 1ist s ASN 85 CO 0.45 -0.89 1.20 0.49 -2.94 0.00 0.00 177.10 175.40 1ist n PHE 86 N -0.49 1.39 -0.28 1.54 3.72 -1.26 -4.70 117.46 117.38 1ist n PHE 86 Ca -0.06 -1.83 -0.02 0.00 -0.05 0.00 0.00 57.45 55.49 1ist n PHE 86 Cb 0.61 -0.29 0.10 0.00 -0.94 0.00 0.00 39.48 38.96 1ist n PHE 86 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ist h LYS 87 N 1.67 0.91 -6.49 -1.08 6.56 -1.95 -3.43 116.57 112.76 1ist h LYS 87 Ca 0.15 -0.05 -0.53 0.00 -1.06 0.00 0.00 60.65 59.16 1ist h LYS 87 Cb 1.33 -0.21 -0.03 0.00 -0.57 0.00 0.00 32.23 32.75 1ist h LYS 87 CO 0.38 0.60 0.09 0.15 -2.06 0.00 0.00 179.45 178.61 1ist s LYS 88 N -6.10 4.31 0.28 3.15 -0.14 -1.26 -5.09 119.74 114.89 1ist s LYS 88 Ca -0.13 0.91 0.07 0.00 -1.36 0.00 0.00 55.97 55.46 1ist s LYS 88 Cb 0.16 -3.04 -0.03 0.00 -1.68 0.00 0.00 37.83 33.23 1ist s LYS 88 CO 0.78 0.49 0.20 -1.01 -0.76 0.00 0.00 175.35 175.05 1ist s HIS 89 N -1.35 3.01 -1.38 3.18 3.76 -1.26 -4.51 115.29 116.73 1ist s HIS 89 Ca 0.38 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 55.05 1ist s HIS 89 Cb -0.19 -1.48 0.04 0.00 1.11 0.00 0.00 32.58 32.06 1ist s HIS 89 CO 0.22 0.44 2.63 0.72 -0.85 0.00 0.00 174.74 177.90 1ist n HIS 90 N -1.20 2.46 0.43 1.40 -0.00 -1.26 -4.68 115.22 112.37 1ist n HIS 90 Ca -0.06 -2.87 0.12 0.00 -0.00 0.00 0.00 57.72 54.91 1ist n HIS 90 Cb 0.59 -2.05 0.21 0.00 -0.00 0.00 0.00 29.99 28.73 1ist n HIS 90 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1ist n ASP 91 N 2.37 3.36 -3.80 0.41 3.85 -1.26 -0.89 116.55 120.58 1ist n ASP 91 Ca 0.68 -1.99 -0.10 0.00 -0.71 0.00 0.00 54.79 52.67 1ist n ASP 91 Cb 0.26 -0.22 -0.07 0.00 -1.35 0.00 0.00 41.12 39.74 1ist n ASP 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ist s ARG 92 N -1.57 0.81 0.80 0.11 1.70 -1.26 -4.69 118.95 114.85 1ist s ARG 92 Ca 0.38 -0.70 -0.14 0.00 -0.47 0.00 0.00 55.73 54.79 1ist s ARG 92 Cb 0.22 0.34 0.08 0.00 -0.57 0.00 0.00 34.95 35.02 1ist s ARG 92 CO 0.31 -0.26 1.20 -2.30 -1.08 0.00 0.00 175.30 173.17 1ist n PRO 93 N 0.33 0.23 -1.00 3.89 -0.02 -1.26 -4.25 135.00 132.92 1ist n PRO 93 Ca -0.17 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1ist n PRO 93 Cb 0.61 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1ist n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ist n GLY 94 N 0.58 0.75 3.57 -1.23 0.00 0.46 -4.93 105.19 104.39 1ist n GLY 94 Ca 0.14 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1ist n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ist s LEU 95 N 0.00 3.01 -0.18 0.99 1.43 -1.26 -0.16 118.68 122.51 1ist s LEU 95 Ca 0.00 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 1ist s LEU 95 Cb 0.00 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1ist s LEU 95 CO 0.00 0.16 0.43 -0.76 0.23 0.00 0.00 176.35 176.41 1ist s LEU 96 N -2.32 4.19 0.02 1.79 1.43 -0.08 -1.14 118.68 122.56 1ist s LEU 96 Ca 0.22 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1ist s LEU 96 Cb -0.11 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 1ist s LEU 96 CO 0.14 -0.06 -0.03 -0.55 0.23 0.00 0.00 176.35 176.08 1ist s SER 97 N 0.93 0.23 -0.03 2.29 0.15 -0.84 -0.70 113.70 115.73 1ist s SER 97 Ca 0.21 -0.39 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 1ist s SER 97 Cb -0.15 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1ist s SER 97 CO 0.08 -0.23 1.09 -0.04 1.20 0.00 0.00 173.24 175.35 1ist s MET 98 N -1.14 4.45 0.62 5.44 -1.94 -0.01 -1.13 119.30 125.59 1ist s MET 98 Ca -0.12 1.55 -0.16 0.00 -1.71 0.00 0.00 55.69 55.25 1ist s MET 98 Cb -0.08 -3.48 -0.02 0.00 2.01 0.00 0.00 34.83 33.26 1ist s MET 98 CO -0.01 -0.26 1.10 0.00 -0.01 0.00 0.00 175.02 175.84 1ist s ALA 99 N 1.58 2.58 0.25 3.03 0.00 -0.92 -4.39 121.76 123.89 1ist s ALA 99 Ca 0.53 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.87 1ist s ALA 99 Cb -0.23 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.65 1ist s ALA 99 CO 0.24 -1.05 0.96 0.54 0.00 0.00 0.00 175.76 176.45 1ist s ASN 100 N -2.44 0.01 -0.28 0.00 2.20 -1.26 -4.52 114.94 108.64 1ist s ASN 100 Ca 0.67 -0.82 0.08 0.00 -0.94 0.00 0.00 52.86 51.86 1ist s ASN 100 Cb -0.20 0.61 0.46 0.00 -2.00 0.00 0.00 41.25 40.12 1ist s ASN 100 CO 0.37 -1.21 1.19 0.00 -2.94 0.00 0.00 177.10 174.51 1ist n ALA 101 N -0.65 4.76 0.00 3.54 0.00 -1.26 -5.05 120.51 121.84 1ist n ALA 101 Ca -0.05 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1ist n ALA 101 Cb 0.60 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1ist n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ist n GLY 102 N -0.72 -2.06 3.60 0.00 0.00 -1.26 -4.98 105.19 99.77 1ist n GLY 102 Ca 0.40 -2.15 -0.54 0.00 0.00 0.00 0.00 46.02 43.73 1ist n GLY 102 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ist n PRO 103 N -0.12 0.97 -3.28 1.61 -0.02 -1.26 -3.45 135.00 129.45 1ist n PRO 103 Ca 0.00 0.35 -0.22 0.00 -2.02 0.00 0.00 63.50 61.61 1ist n PRO 103 Cb 0.00 -1.98 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1ist n PRO 103 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ist n ASN 104 N 2.78 -6.10 -2.27 2.55 3.02 -1.26 -4.93 115.26 109.04 1ist n ASN 104 Ca 0.20 -0.40 -0.23 0.00 -0.03 0.00 0.00 54.58 54.11 1ist n ASN 104 Cb 0.16 -4.81 0.01 0.00 -0.61 0.00 0.00 39.78 34.53 1ist n ASN 104 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ist n THR 105 N -4.70 2.34 -2.55 3.41 -2.24 -1.22 -4.36 114.28 104.95 1ist n THR 105 Ca -0.05 -4.39 -0.42 0.00 -2.27 0.00 0.00 64.05 56.92 1ist n THR 105 Cb 0.59 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.80 1ist n THR 105 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ist s ASN 106 N -3.57 7.20 0.00 3.42 0.01 -0.86 -4.25 114.94 116.89 1ist s ASN 106 Ca 0.48 1.85 0.00 0.00 -0.71 0.00 0.00 52.86 54.47 1ist s ASN 106 Cb 0.40 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.49 1ist s ASN 106 CO -0.06 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.76 1ist n GLY 107 N 3.09 1.18 0.00 0.66 0.00 -1.26 -0.89 105.19 107.97 1ist n GLY 107 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ist n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ist n SER 108 N 0.00 4.31 -4.77 1.61 3.41 -1.26 -3.93 113.62 112.99 1ist n SER 108 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1ist n SER 108 Cb 0.00 0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1ist n SER 108 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ist s GLN 109 N -1.73 4.28 0.13 4.33 -0.21 -1.25 -4.53 119.66 120.68 1ist s GLN 109 Ca 0.00 2.33 -0.02 0.00 0.02 0.00 0.00 55.36 57.68 1ist s GLN 109 Cb 0.00 -3.04 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 1ist s GLN 109 CO 0.00 -0.31 0.09 -0.59 -2.12 0.00 0.00 175.29 172.36 1ist s PHE 110 N -1.04 0.76 0.13 0.91 -0.12 -0.78 -2.16 117.98 115.70 1ist s PHE 110 Ca 0.51 -1.15 0.03 0.00 -0.05 0.00 0.00 56.93 56.28 1ist s PHE 110 Cb -0.42 -0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 1ist s PHE 110 CO 0.55 -0.54 -0.08 -0.59 -0.05 0.00 0.00 175.22 174.51 1ist s PHE 111 N -4.03 1.12 -0.26 3.49 -0.12 -0.29 -1.38 117.98 116.52 1ist s PHE 111 Ca 0.22 -0.84 -0.03 0.00 -0.05 0.00 0.00 56.93 56.24 1ist s PHE 111 Cb 0.07 -0.60 0.03 0.00 -0.63 0.00 0.00 43.02 41.88 1ist s PHE 111 CO 0.01 -0.02 -0.03 0.42 -0.05 0.00 0.00 175.22 175.55 1ist s ILE 112 N -3.46 3.09 0.39 -4.49 1.01 -0.05 -1.99 121.20 115.71 1ist s ILE 112 Ca 0.15 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 1ist s ILE 112 Cb 0.04 -2.60 -0.09 0.00 0.01 0.00 0.00 42.46 39.82 1ist s ILE 112 CO -0.01 0.14 1.16 0.42 0.00 0.00 0.00 174.94 176.65 1ist s THR 113 N 1.35 3.21 -0.57 2.92 -4.23 -0.29 -1.44 115.64 116.59 1ist s THR 113 Ca -0.00 1.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.60 1ist s THR 113 Cb -0.17 -3.59 0.10 0.00 1.34 0.00 0.00 72.50 70.18 1ist s THR 113 CO -0.03 0.11 0.90 0.35 -0.54 0.00 0.00 174.62 175.42 1ist n THR 114 N 0.19 0.51 -3.68 3.99 -2.24 0.66 -0.40 114.28 113.31 1ist n THR 114 Ca 0.04 -0.76 -0.11 0.00 -2.27 0.00 0.00 64.05 60.95 1ist n THR 114 Cb 0.46 0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1ist n THR 114 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ist s VAL 115 N -0.73 0.08 0.28 2.28 -7.23 -1.25 -4.72 120.40 109.10 1ist s VAL 115 Ca 0.09 -0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 1ist s VAL 115 Cb 0.05 -1.14 -0.12 0.00 0.56 0.00 0.00 36.38 35.73 1ist s VAL 115 CO 0.07 -0.36 1.46 -2.65 -0.31 0.00 0.00 175.10 173.32 1ist n PRO 116 N -0.01 2.33 -3.22 4.82 -0.02 -1.26 -4.21 135.00 133.43 1ist n PRO 116 Ca -0.17 0.83 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 1ist n PRO 116 Cb 0.63 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1ist n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ist n PRO 118 N 0.89 0.01 0.00 0.00 -0.04 -1.22 -1.55 135.00 133.10 1ist n PRO 118 Ca 0.25 0.27 0.10 0.00 -0.04 0.00 0.00 63.50 64.09 1ist n PRO 118 Cb 0.51 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.93 1ist n PRO 118 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ist n TRP 119 N -1.49 0.00 1.16 0.54 2.14 -1.26 -2.10 117.44 116.43 1ist n TRP 119 Ca 0.03 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.73 1ist n TRP 119 Cb 0.15 -0.50 0.24 0.00 -0.81 0.00 0.00 31.31 30.39 1ist n TRP 119 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1ist n LEU 120 N -1.50 1.35 -4.71 5.67 4.77 -0.59 -4.90 117.00 117.09 1ist n LEU 120 Ca 0.05 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 1ist n LEU 120 Cb 0.25 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1ist n LEU 120 CO 0.20 0.25 1.36 -1.81 -1.33 0.00 0.00 177.39 176.06 1ist s ASP 121 N -2.51 6.47 0.00 -1.43 -0.00 -0.89 -1.58 116.67 116.73 1ist s ASP 121 Ca 0.22 2.73 0.00 0.00 -0.00 0.00 0.00 52.55 55.50 1ist s ASP 121 Cb 0.19 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.52 1ist s ASP 121 CO 0.55 -0.93 0.00 0.61 -0.00 0.00 0.00 175.17 175.39 1ist n GLY 122 N 3.99 0.82 0.00 0.21 0.00 -1.26 -4.83 105.19 104.13 1ist n GLY 122 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ist n GLY 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ist n LYS 123 N -2.30 2.07 -4.00 1.61 4.01 -0.61 -5.00 118.16 113.94 1ist n LYS 123 Ca 0.00 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.60 1ist n LYS 123 Cb 0.00 -0.99 -0.17 0.00 -0.51 0.00 0.00 35.03 33.36 1ist n LYS 123 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1ist s HIS 124 N -1.98 0.61 -0.35 2.13 3.76 -1.00 -4.91 115.29 113.54 1ist s HIS 124 Ca 0.00 -0.14 -0.29 0.00 -0.15 0.00 0.00 55.06 54.48 1ist s HIS 124 Cb 0.00 -0.63 -0.01 0.00 1.11 0.00 0.00 32.58 33.05 1ist s HIS 124 CO 0.00 -0.21 1.63 0.08 -0.85 0.00 0.00 174.74 175.39 1ist s VAL 125 N 1.23 3.67 -0.04 -0.90 1.01 -1.26 -4.80 120.40 119.30 1ist s VAL 125 Ca -0.06 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 1ist s VAL 125 Cb -0.14 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1ist s VAL 125 CO -0.02 -0.54 1.26 -0.69 0.00 0.00 0.00 175.10 175.10 1ist s VAL 126 N 6.16 4.10 0.00 2.92 1.01 -1.26 -0.83 120.40 132.50 1ist s VAL 126 Ca 0.72 1.44 0.00 0.00 0.00 0.00 0.00 61.98 64.14 1ist s VAL 126 Cb -0.19 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1ist s VAL 126 CO 0.33 0.00 0.11 2.22 0.00 0.00 0.00 175.10 177.76 1ist n PHE 127 N 5.22 0.00 -3.81 5.22 -1.74 0.13 -4.71 117.46 117.77 1ist n PHE 127 Ca 0.11 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.99 1ist n PHE 127 Cb 0.45 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.46 1ist n PHE 127 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1ist s GLY 128 N -0.04 -0.10 0.03 4.97 0.00 -1.15 -0.02 107.32 111.01 1ist s GLY 128 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 1ist s GLY 128 CO 0.00 1.66 -0.02 -1.83 0.00 0.00 0.00 173.10 172.91 1ist s GLU 129 N -2.52 0.46 -0.06 2.90 -1.05 -0.17 -0.90 118.70 117.35 1ist s GLU 129 Ca 0.19 -0.88 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 1ist s GLU 129 Cb -0.01 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 1ist s GLU 129 CO 0.02 -0.08 1.39 0.08 0.95 0.00 0.00 175.26 177.62 1ist s VAL 130 N -2.60 3.90 -0.04 1.83 1.01 0.78 -1.03 120.40 124.25 1ist s VAL 130 Ca -0.05 1.20 0.12 0.00 0.00 0.00 0.00 61.98 63.25 1ist s VAL 130 Cb -0.02 -3.77 -0.19 0.00 0.00 0.00 0.00 36.38 32.41 1ist s VAL 130 CO -0.05 -0.05 0.23 0.55 0.00 0.00 0.00 175.10 175.78 1ist n VAL 131 N 4.98 0.17 -3.63 2.92 3.14 -0.12 -4.92 118.33 120.86 1ist n VAL 131 Ca 0.14 -0.34 -0.16 0.00 -2.96 0.00 0.00 64.34 61.03 1ist n VAL 131 Cb 0.44 0.03 -0.07 0.00 -1.06 0.00 0.00 33.84 33.17 1ist n VAL 131 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ist s ASP 132 N -3.67 -0.50 0.00 6.55 3.68 -1.06 -4.94 116.67 116.73 1ist s ASP 132 Ca -0.05 0.60 0.00 0.00 2.13 0.00 0.00 52.55 55.23 1ist s ASP 132 Cb 0.07 0.59 0.00 0.00 -1.45 0.00 0.00 42.92 42.14 1ist s ASP 132 CO 0.52 -0.47 0.00 0.61 0.13 0.00 0.00 175.17 175.96 1ist n GLY 133 N 1.41 0.89 0.20 2.66 0.00 -1.26 -1.25 105.19 107.84 1ist n GLY 133 Ca -0.19 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.36 1ist n GLY 133 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ist h TYR 134 N 0.00 0.00 0.00 1.61 3.20 -1.92 -1.31 116.97 118.56 1ist h TYR 134 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1ist h TYR 134 Cb 0.28 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1ist h TYR 134 CO 0.00 0.32 -0.15 0.38 -1.64 0.00 0.00 178.16 177.07 1ist h ASP 135 N 0.00 0.00 -0.11 -2.11 3.04 -1.97 -1.25 116.42 114.02 1ist h ASP 135 Ca -0.00 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 53.59 1ist h ASP 135 Cb 0.79 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.09 1ist h ASP 135 CO 0.04 0.15 -0.65 0.40 -2.04 0.00 0.00 179.24 177.14 1ist h ILE 136 N 0.00 1.30 -0.56 4.15 1.08 -1.59 -1.55 117.51 120.33 1ist h ILE 136 Ca -0.00 -1.88 0.03 0.00 -0.39 0.00 0.00 64.86 62.62 1ist h ILE 136 Cb 0.35 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 1ist h ILE 136 CO 0.02 0.59 0.37 0.58 -0.69 0.00 0.00 178.15 179.03 1ist h VAL 137 N 0.53 1.07 -0.39 1.67 2.07 -1.03 -1.49 116.25 118.67 1ist h VAL 137 Ca -0.01 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1ist h VAL 137 Cb 1.25 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ist h VAL 137 CO 0.13 0.12 -0.16 0.11 0.02 0.00 0.00 177.57 177.79 1ist h LYS 138 N 0.65 0.80 -0.30 1.57 1.79 -0.95 0.13 116.57 120.26 1ist h LYS 138 Ca 0.23 -0.34 0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1ist h LYS 138 Cb 0.10 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1ist h LYS 138 CO -0.06 0.96 0.16 0.87 -1.08 0.00 0.00 179.45 180.30 1ist h LYS 139 N 0.60 0.32 -0.30 3.15 1.57 -0.75 -1.84 116.57 119.32 1ist h LYS 139 Ca 0.09 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1ist h LYS 139 Cb 0.70 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1ist h LYS 139 CO 0.05 0.21 0.18 0.28 -0.57 0.00 0.00 179.45 179.60 1ist h VAL 140 N 0.33 1.05 -0.87 0.50 2.07 -1.15 -2.51 116.25 115.67 1ist h VAL 140 Ca 0.12 -0.13 0.18 0.00 0.82 0.00 0.00 66.70 67.69 1ist h VAL 140 Cb 0.02 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1ist h VAL 140 CO -0.07 0.07 0.57 -0.08 0.02 0.00 0.00 177.57 178.08 1ist h GLU 141 N 0.37 0.45 -0.00 1.57 4.81 -0.17 -0.16 114.58 121.45 1ist h GLU 141 Ca 0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ist h GLU 141 Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1ist h GLU 141 CO -0.05 0.30 -0.00 -1.13 -0.73 0.00 0.00 179.01 177.40 1ist n SER 142 N -4.52 0.01 -1.29 1.04 3.41 -0.75 -2.97 113.62 108.55 1ist n SER 142 Ca 0.18 -0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1ist n SER 142 Cb 0.62 -0.31 0.30 0.00 -0.26 0.00 0.00 64.21 64.56 1ist n SER 142 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ist n LEU 143 N -1.31 3.77 0.00 1.04 4.77 -0.07 -4.93 117.00 120.26 1ist n LEU 143 Ca 0.13 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1ist n LEU 143 Cb 0.26 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ist n LEU 143 CO 0.24 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 1ist n GLY 144 N 1.62 1.59 3.84 -0.72 0.00 -1.16 -0.40 105.19 109.97 1ist n GLY 144 Ca 0.23 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 1ist n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ist s SER 145 N -1.00 -0.22 0.48 1.61 1.04 -1.07 -4.80 113.70 109.74 1ist s SER 145 Ca 0.00 -0.66 0.22 0.00 0.48 0.00 0.00 55.95 55.99 1ist s SER 145 Cb 0.00 0.72 1.25 0.00 0.10 0.00 0.00 66.02 68.09 1ist s SER 145 CO 0.00 -1.35 1.92 -0.65 0.98 0.00 0.00 173.24 174.14 1ist h PRO 146 N 2.00 0.20 -0.01 4.02 0.11 -1.90 -2.19 132.00 134.24 1ist h PRO 146 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1ist h PRO 146 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ist h PRO 146 CO 0.26 0.13 -0.06 -1.13 -0.21 0.00 0.00 178.00 176.98 1ist n SER 147 N -4.41 0.57 0.00 -2.05 3.41 -1.26 -4.92 113.62 104.96 1ist n SER 147 Ca 0.15 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1ist n SER 147 Cb 0.68 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1ist n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ist n GLY 148 N 1.20 3.26 3.75 5.00 0.00 -0.82 -4.97 105.19 112.61 1ist n GLY 148 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ist n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ist n ALA 149 N -1.25 2.10 -2.67 4.61 0.00 -1.26 -0.87 120.51 121.17 1ist n ALA 149 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 1ist n ALA 149 Cb 0.00 -2.38 -0.09 0.00 0.00 0.00 0.00 19.45 16.98 1ist n ALA 149 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ist s THR 150 N -1.03 4.00 0.04 0.00 -4.23 -1.26 -2.59 115.64 110.57 1ist s THR 150 Ca 0.55 -0.79 0.17 0.00 -1.18 0.00 0.00 61.69 60.43 1ist s THR 150 Cb -0.50 -2.83 0.09 0.00 1.34 0.00 0.00 72.50 70.60 1ist s THR 150 CO 0.62 0.28 1.60 0.11 -0.54 0.00 0.00 174.62 176.69 1ist h LYS 151 N 4.01 0.00 -6.39 3.99 1.57 -1.04 -3.45 116.57 115.25 1ist h LYS 151 Ca -0.48 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.68 1ist h LYS 151 Cb 1.17 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1ist h LYS 151 CO 0.58 0.46 -0.80 0.00 -0.57 0.00 0.00 179.45 179.11 1ist s ALA 152 N -3.30 2.48 -0.54 3.86 0.00 -1.26 -5.06 121.76 117.94 1ist s ALA 152 Ca 0.02 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.04 1ist s ALA 152 Cb 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1ist s ALA 152 CO 0.71 0.36 1.11 0.50 0.00 0.00 0.00 175.76 178.44 1ist s ARG 153 N -2.89 3.53 -0.15 0.00 3.52 -1.26 -4.81 118.95 116.89 1ist s ARG 153 Ca 0.22 0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.90 1ist s ARG 153 Cb -0.07 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 1ist s ARG 153 CO 0.10 -1.53 0.33 0.42 -0.81 0.00 0.00 175.30 173.82 1ist s ILE 154 N 4.53 5.28 0.01 4.11 1.09 -1.26 -0.43 121.20 134.53 1ist s ILE 154 Ca 0.41 0.63 0.02 0.00 -1.10 0.00 0.00 60.65 60.61 1ist s ILE 154 Cb -0.08 -3.67 -0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1ist s ILE 154 CO 0.26 0.38 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.73 1ist s VAL 155 N 0.47 0.48 -0.90 2.92 1.01 -0.58 -2.13 120.40 121.67 1ist s VAL 155 Ca 0.18 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 1ist s VAL 155 Cb -0.13 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 35.88 1ist s VAL 155 CO 0.05 0.02 1.28 -0.69 0.00 0.00 0.00 175.10 175.76 1ist s VAL 156 N -0.40 4.12 0.14 2.92 1.01 -0.50 -1.08 120.40 126.61 1ist s VAL 156 Ca -0.00 -0.67 0.16 0.00 0.00 0.00 0.00 61.98 61.47 1ist s VAL 156 Cb -0.04 -4.92 0.08 0.00 0.00 0.00 0.00 36.38 31.50 1ist s VAL 156 CO -0.00 -1.76 1.65 0.00 0.00 0.00 0.00 175.10 174.98 1ist h ALA 157 N 9.59 0.91 -2.50 5.51 0.00 -0.95 0.51 119.26 132.34 1ist h ALA 157 Ca 0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1ist h ALA 157 Cb 1.03 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.49 1ist h ALA 157 CO 1.29 0.59 -0.21 0.21 0.00 0.00 0.00 179.25 181.13 1ist s LYS 158 N -3.47 0.48 0.31 0.00 2.20 -1.13 -4.16 119.74 113.97 1ist s LYS 158 Ca 0.00 0.87 0.09 0.00 -0.36 0.00 0.00 55.97 56.58 1ist s LYS 158 Cb 0.11 0.04 -0.06 0.00 -1.51 0.00 0.00 37.83 36.41 1ist s LYS 158 CO 0.72 -0.15 -0.11 -1.54 -0.36 0.00 0.00 175.35 173.91 1ist s SER 159 N 1.33 3.39 0.01 1.43 1.04 -1.26 -0.09 113.70 119.56 1ist s SER 159 Ca -0.09 -1.16 -0.06 0.00 0.48 0.00 0.00 55.95 55.13 1ist s SER 159 Cb -0.07 -0.28 0.02 0.00 0.10 0.00 0.00 66.02 65.79 1ist s SER 159 CO -0.13 -0.20 0.28 0.61 0.98 0.00 0.00 173.24 174.78 1ist n GLY 160 N -0.69 0.77 3.24 7.32 0.00 -0.54 -4.68 105.19 110.61 1ist n GLY 160 Ca -0.05 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1ist n GLY 160 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ist s GLU 161 N -2.01 2.51 0.00 1.61 2.12 -1.26 -0.60 118.70 121.07 1ist s GLU 161 Ca 0.06 -0.86 0.30 0.00 0.36 0.00 0.00 54.97 54.84 1ist s GLU 161 Cb -0.00 -2.10 1.58 0.00 0.26 0.00 0.00 34.13 33.87 1ist s GLU 161 CO 0.00 0.34 2.05 1.28 -0.54 0.00 0.00 175.26 178.39