#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rcd s LEU 2 N 0.00 -0.49 0.31 0.99 1.43 -1.26 -5.08 118.68 114.58 2rcd s LEU 2 Ca 0.00 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 2rcd s LEU 2 Cb 0.00 2.23 0.86 0.00 0.03 0.00 0.00 46.19 49.31 2rcd s LEU 2 CO 0.00 -0.59 1.71 1.55 0.23 0.00 0.00 176.35 179.24 2rcd h PRO 3 N 2.46 0.47 0.00 1.29 0.13 -2.05 -1.11 132.00 133.19 2rcd h PRO 3 Ca -0.24 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2rcd h PRO 3 Cb 1.20 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2rcd h PRO 3 CO 0.35 0.31 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 2rcd n ASP 4 N -4.96 0.18 0.08 1.44 5.75 -1.26 -3.00 116.55 114.77 2rcd n ASP 4 Ca 0.26 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.67 2rcd n ASP 4 Cb 0.75 -0.57 0.45 0.00 -1.03 0.00 0.00 41.12 40.73 2rcd n ASP 4 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2rcd n ASP 5 N -1.67 0.48 -4.70 -1.12 8.00 -0.42 -4.75 116.55 112.38 2rcd n ASP 5 Ca 0.06 0.58 -0.40 0.00 0.71 0.00 0.00 54.79 55.74 2rcd n ASP 5 Cb 0.35 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 40.70 2rcd n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rcd s VAL 6 N -3.15 4.99 -1.01 2.53 1.01 -1.16 -1.39 120.40 122.22 2rcd s VAL 6 Ca 0.08 1.50 -0.06 0.00 0.00 0.00 0.00 61.98 63.50 2rcd s VAL 6 Cb 0.12 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2rcd s VAL 6 CO 0.45 0.18 0.88 0.59 0.00 0.00 0.00 175.10 177.19 2rcd n ASN 7 N 4.27 -6.71 -4.70 3.32 3.02 -0.44 -4.97 115.26 109.06 2rcd n ASN 7 Ca 0.01 -0.65 -0.42 0.00 -0.03 0.00 0.00 54.58 53.49 2rcd n ASN 7 Cb 0.51 -5.06 -0.03 0.00 -0.61 0.00 0.00 39.78 34.59 2rcd n ASN 7 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2rcd s GLN 8 N -4.32 4.43 0.19 3.52 -0.21 -1.26 -4.92 119.66 117.08 2rcd s GLN 8 Ca 0.39 1.61 -0.20 0.00 0.02 0.00 0.00 55.36 57.18 2rcd s GLN 8 Cb -0.06 -3.47 0.13 0.00 1.00 0.00 0.00 33.01 30.61 2rcd s GLN 8 CO 0.75 -0.29 1.59 0.00 -2.12 0.00 0.00 175.29 175.21 2rcd h ALA 9 N 7.08 -0.02 -0.54 6.09 0.00 -1.98 0.29 119.26 130.18 2rcd h ALA 9 Ca -0.37 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2rcd h ALA 9 Cb 1.19 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2rcd h ALA 9 CO 0.83 -0.67 -0.08 0.38 0.00 0.00 0.00 179.25 179.72 2rcd h ASP 10 N -0.15 0.99 -0.53 0.00 3.04 -1.99 -1.15 116.42 116.63 2rcd h ASP 10 Ca 0.24 -0.31 -0.07 0.00 -3.24 0.00 0.00 57.03 53.65 2rcd h ASP 10 Cb 0.55 -0.27 -0.02 0.00 -1.04 0.00 0.00 39.33 38.55 2rcd h ASP 10 CO -0.69 1.09 0.08 0.58 -2.04 0.00 0.00 179.24 178.26 2rcd h VAL 11 N 0.90 1.25 -0.38 4.15 2.07 -1.69 -2.75 116.25 119.78 2rcd h VAL 11 Ca 0.15 -0.97 -0.15 0.00 0.82 0.00 0.00 66.70 66.54 2rcd h VAL 11 Cb 0.63 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2rcd h VAL 11 CO 0.04 0.36 -0.37 0.25 0.02 0.00 0.00 177.57 177.87 2rcd h LEU 12 N 0.88 0.97 -1.08 2.57 5.85 -0.73 -2.71 115.31 121.06 2rcd h LEU 12 Ca 0.18 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2rcd h LEU 12 Cb 0.41 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2rcd h LEU 12 CO 0.01 1.22 0.51 0.00 -0.34 0.00 0.00 178.44 179.85 2rcd h ALA 13 N 0.82 1.31 0.11 1.25 0.00 -1.11 -0.26 119.26 121.38 2rcd h ALA 13 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2rcd h ALA 13 Cb 0.95 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2rcd h ALA 13 CO 0.09 0.59 -0.05 -0.44 0.00 0.00 0.00 179.25 179.44 2rcd h ASP 14 N 1.16 -0.13 -0.38 0.00 3.32 -1.42 -2.58 116.42 116.39 2rcd h ASP 14 Ca 0.30 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2rcd h ASP 14 Cb -0.05 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2rcd h ASP 14 CO -0.06 0.18 0.07 0.58 -1.72 0.00 0.00 179.24 178.28 2rcd h VAL 15 N -0.44 1.22 -0.14 -1.35 2.07 -1.37 -1.84 116.25 114.40 2rcd h VAL 15 Ca -0.02 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2rcd h VAL 15 Cb 0.36 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2rcd h VAL 15 CO 0.03 0.30 0.05 0.74 0.02 0.00 0.00 177.57 178.70 2rcd h THR 16 N 0.69 1.17 -0.89 2.57 2.02 -1.07 -0.52 112.91 116.89 2rcd h THR 16 Ca 0.15 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.85 2rcd h THR 16 Cb 0.33 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 2rcd h THR 16 CO 0.01 0.16 0.58 0.00 0.37 0.00 0.00 175.52 176.64 2rcd h ALA 17 N 0.86 1.51 -0.08 6.16 0.00 -1.15 -0.52 119.26 126.04 2rcd h ALA 17 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2rcd h ALA 17 Cb 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2rcd h ALA 17 CO -0.00 0.37 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 2rcd h ALA 18 N 1.51 0.12 -0.47 0.00 0.00 -1.10 -1.92 119.26 117.39 2rcd h ALA 18 Ca 0.37 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2rcd h ALA 18 Cb 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 2rcd h ALA 18 CO -0.13 -0.08 -0.10 0.35 0.00 0.00 0.00 179.25 179.28 2rcd h PHE 19 N -0.22 -0.22 0.00 0.00 3.57 -0.62 0.40 116.94 119.84 2rcd h PHE 19 Ca 0.01 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2rcd h PHE 19 Cb 0.56 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2rcd h PHE 19 CO 0.08 -0.19 -0.28 1.88 -2.23 0.00 0.00 178.31 177.57 2rcd h TYR 20 N 0.01 0.00 -0.26 0.41 0.05 -1.09 -0.88 116.97 115.21 2rcd h TYR 20 Ca 0.23 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.85 2rcd h TYR 20 Cb 0.35 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.09 2rcd h TYR 20 CO -0.39 0.28 -0.44 -0.09 -1.05 0.00 0.00 178.16 176.47 2rcd h ARG 21 N 0.00 0.77 -0.82 4.88 2.43 -0.49 -2.32 114.38 118.82 2rcd h ARG 21 Ca -0.00 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 2rcd h ARG 21 Cb 0.73 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 2rcd h ARG 21 CO 0.04 1.10 0.43 -0.92 -1.51 0.00 0.00 179.97 179.11 2rcd h TYR 22 N 0.51 1.14 -0.74 2.20 3.20 -0.60 -1.81 116.97 120.88 2rcd h TYR 22 Ca 0.02 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2rcd h TYR 22 Cb 1.05 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2rcd h TYR 22 CO 0.08 0.80 0.24 1.49 -1.64 0.00 0.00 178.16 179.14 2rcd h GLU 23 N 1.16 1.14 -0.17 1.82 4.57 -1.00 -0.32 114.58 121.78 2rcd h GLU 23 Ca 0.29 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 58.12 2rcd h GLU 23 Cb 0.06 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 2rcd h GLU 23 CO -0.04 0.96 -0.41 -0.22 -1.18 0.00 0.00 179.01 178.11 2rcd h LYS 24 N 1.09 0.39 -0.18 1.92 3.64 -1.14 -2.39 116.57 119.91 2rcd h LYS 24 Ca 0.24 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2rcd h LYS 24 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2rcd h LYS 24 CO -0.01 0.74 -0.36 0.00 -2.27 0.00 0.00 179.45 177.55 2rcd h ALA 25 N 1.24 0.29 -0.43 5.00 0.00 -0.87 -2.41 119.26 122.08 2rcd h ALA 25 Ca 0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2rcd h ALA 25 Cb 0.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2rcd h ALA 25 CO 0.07 0.36 0.18 1.25 0.00 0.00 0.00 179.25 181.11 2rcd h LEU 26 N 0.23 0.58 -0.28 0.00 5.85 -1.03 0.37 115.31 121.02 2rcd h LEU 26 Ca 0.01 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 2rcd h LEU 26 Cb 0.96 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2rcd h LEU 26 CO 0.08 0.57 -0.53 0.71 -0.34 0.00 0.00 178.44 178.93 2rcd h THR 27 N 0.54 0.99 -0.55 1.05 1.35 -1.49 -2.89 112.91 111.90 2rcd h THR 27 Ca 0.14 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 2rcd h THR 27 Cb 0.16 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2rcd h THR 27 CO -0.01 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2rcd n GLY 28 N 0.95 1.75 4.03 5.82 0.00 -0.91 -4.18 105.19 112.65 2rcd n GLY 28 Ca 0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2rcd n GLY 28 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rcd n ASN 29 N 1.26 -0.93 -4.44 1.61 5.15 0.37 -4.90 115.26 113.38 2rcd n ASN 29 Ca 0.20 -1.11 -0.44 0.00 -0.60 0.00 0.00 54.58 52.62 2rcd n ASN 29 Cb 0.52 -2.55 -0.01 0.00 -0.53 0.00 0.00 39.78 37.21 2rcd n ASN 29 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2rcd s ASP 30 N -4.19 6.98 0.54 1.20 -1.08 0.10 -4.87 116.67 115.36 2rcd s ASP 30 Ca 0.11 -2.83 0.21 0.00 -0.52 0.00 0.00 52.55 49.52 2rcd s ASP 30 Cb -0.05 -2.37 1.43 0.00 -1.46 0.00 0.00 42.92 40.47 2rcd s ASP 30 CO 0.92 -0.76 2.14 0.58 0.52 0.00 0.00 175.17 178.57 2rcd h VAL 31 N 4.83 0.82 0.38 1.11 2.07 -1.90 -1.23 116.25 122.32 2rcd h VAL 31 Ca 0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 2rcd h VAL 31 Cb 0.92 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2rcd h VAL 31 CO 1.17 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 178.57 2rcd h ALA 32 N 1.93 -0.51 -0.60 1.67 0.00 -1.98 -1.49 119.26 118.28 2rcd h ALA 32 Ca 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2rcd h ALA 32 Cb 0.23 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2rcd h ALA 32 CO -0.00 -0.71 0.08 0.28 0.00 0.00 0.00 179.25 178.90 2rcd h VAL 33 N -0.65 1.25 -0.50 0.00 2.07 -1.83 -0.73 116.25 115.85 2rcd h VAL 33 Ca -0.05 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.52 2rcd h VAL 33 Cb 0.47 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2rcd h VAL 33 CO 0.09 0.37 0.33 -0.07 0.02 0.00 0.00 177.57 178.31 2rcd h LEU 34 N 0.92 0.41 0.05 2.57 3.38 -1.15 0.12 115.31 121.60 2rcd h LEU 34 Ca 0.18 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2rcd h LEU 34 Cb 0.43 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.10 2rcd h LEU 34 CO 0.01 0.27 -0.65 -0.78 0.09 0.00 0.00 178.44 177.38 2rcd h ASP 35 N 0.47 0.50 -0.24 -0.43 3.58 -0.83 -2.97 116.42 116.50 2rcd h ASP 35 Ca 0.21 -0.83 0.06 0.00 0.42 0.00 0.00 57.03 56.90 2rcd h ASP 35 Cb 0.25 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.09 2rcd h ASP 35 CO -0.06 1.27 -0.16 -0.08 -2.88 0.00 0.00 179.24 177.33 2rcd h GLU 36 N -0.21 -0.14 0.00 0.28 4.81 -0.57 -2.80 114.58 115.94 2rcd h GLU 36 Ca -0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2rcd h GLU 36 Cb 1.41 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.82 2rcd h GLU 36 CO 0.13 -0.09 0.00 -0.07 -0.73 0.00 0.00 179.01 178.24 2rcd h LEU 37 N -0.15 0.00 -9.99 1.64 3.38 -1.07 -3.43 115.31 105.69 2rcd h LEU 37 Ca 0.13 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.58 2rcd h LEU 37 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2rcd h LEU 37 CO -0.33 0.00 -0.05 -0.36 0.09 0.00 0.00 178.44 177.79 2rcd s PHE 38 N -3.59 3.41 -0.19 1.13 0.40 -1.06 -0.65 117.98 117.43 2rcd s PHE 38 Ca 0.01 0.97 -0.29 0.00 -0.60 0.00 0.00 56.93 57.03 2rcd s PHE 38 Cb 0.09 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 41.25 2rcd s PHE 38 CO 0.47 0.22 1.70 -0.46 0.70 0.00 0.00 175.22 177.85 2rcd s TRP 39 N -1.86 1.95 -1.20 0.36 -0.00 -0.19 -4.79 118.94 113.22 2rcd s TRP 39 Ca 0.49 0.45 -0.21 0.00 -0.00 0.00 0.00 56.10 56.83 2rcd s TRP 39 Cb -0.11 -4.00 -0.02 0.00 -0.00 0.00 0.00 33.47 29.34 2rcd s TRP 39 CO 0.20 -3.28 1.83 -1.58 -0.00 0.00 0.00 176.95 174.12 2rcd s HIS 40 N 5.38 2.28 0.07 5.86 5.65 -1.26 -4.66 115.29 128.61 2rcd s HIS 40 Ca 0.75 -0.37 -0.23 0.00 0.25 0.00 0.00 55.06 55.47 2rcd s HIS 40 Cb -0.27 -4.32 0.06 0.00 -1.18 0.00 0.00 32.58 26.86 2rcd s HIS 40 CO 0.31 -1.51 0.54 0.34 -0.65 0.00 0.00 174.74 173.77 2rcd s ASP 41 N 5.68 -0.47 0.56 9.88 2.15 -1.26 -5.03 116.67 128.18 2rcd s ASP 41 Ca 0.62 0.14 0.29 0.00 0.43 0.00 0.00 52.55 54.03 2rcd s ASP 41 Cb 0.01 0.52 1.66 0.00 -0.30 0.00 0.00 42.92 44.80 2rcd s ASP 41 CO 0.09 -0.78 2.17 1.05 -0.17 0.00 0.00 175.17 177.53 2rcd h GLU 42 N 2.59 0.00 -0.00 4.34 9.09 -1.94 -2.37 114.58 126.29 2rcd h GLU 42 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 2rcd h GLU 42 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2rcd h GLU 42 CO 0.41 0.06 -0.33 1.63 0.05 0.00 0.00 179.01 180.83 2rcd n LYS 43 N -3.72 0.16 -1.91 1.06 5.02 -1.26 -3.20 118.16 114.30 2rcd n LYS 43 Ca -0.02 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 2rcd n LYS 43 Cb 0.16 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2rcd n LYS 43 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2rcd s THR 44 N -2.89 2.29 -0.08 -0.18 2.01 -1.15 -4.76 115.64 110.88 2rcd s THR 44 Ca 0.15 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.45 2rcd s THR 44 Cb 0.18 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 69.53 2rcd s THR 44 CO 0.62 0.06 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.80 2rcd s VAL 45 N -1.15 1.17 -0.26 3.82 1.01 -1.14 -0.08 120.40 123.77 2rcd s VAL 45 Ca 0.53 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2rcd s VAL 45 Cb -0.43 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 34.92 2rcd s VAL 45 CO 0.58 0.37 -0.09 -0.60 0.00 0.00 0.00 175.10 175.36 2rcd s ARG 46 N 0.86 2.07 -0.36 2.72 3.52 -0.40 -1.40 118.95 125.96 2rcd s ARG 46 Ca -0.11 -1.29 -0.19 0.00 -0.13 0.00 0.00 55.73 54.02 2rcd s ARG 46 Cb -0.15 -2.83 -0.00 0.00 -1.56 0.00 0.00 34.95 30.41 2rcd s ARG 46 CO 0.01 -0.59 0.54 0.71 -0.81 0.00 0.00 175.30 175.16 2rcd s TYR 47 N 1.16 3.17 0.58 5.12 2.02 -0.08 -0.13 117.35 129.20 2rcd s TYR 47 Ca -0.08 0.19 0.07 0.00 -0.37 0.00 0.00 57.07 56.89 2rcd s TYR 47 Cb -0.20 -2.98 0.07 0.00 -0.40 0.00 0.00 41.96 38.45 2rcd s TYR 47 CO -0.05 -0.57 0.61 0.41 -1.57 0.00 0.00 175.55 174.37 2rcd n GLY 48 N 4.79 2.37 0.21 0.71 0.00 0.72 0.14 105.19 114.12 2rcd n GLY 48 Ca -0.04 -2.27 -0.02 0.00 0.00 0.00 0.00 46.02 43.69 2rcd n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rcd h ALA 49 N 0.41 0.60 0.00 4.61 0.00 -1.84 -3.25 119.26 119.79 2rcd h ALA 49 Ca -0.32 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2rcd h ALA 49 Cb 1.30 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2rcd h ALA 49 CO 0.48 -0.28 -0.34 0.41 0.00 0.00 0.00 179.25 179.52 2rcd n GLY 50 N -1.28 3.70 3.39 0.00 0.00 -1.26 -4.86 105.19 104.88 2rcd n GLY 50 Ca 0.06 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 2rcd n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2rcd s GLU 51 N -2.11 1.01 -0.24 1.61 1.03 -1.23 -5.14 118.70 113.63 2rcd s GLU 51 Ca 0.28 -0.18 0.02 0.00 0.03 0.00 0.00 54.97 55.12 2rcd s GLU 51 Cb 0.26 0.46 0.05 0.00 -0.80 0.00 0.00 34.13 34.11 2rcd s GLU 51 CO -0.02 -0.35 -0.13 -0.80 -1.33 0.00 0.00 175.26 172.63 2rcd s ASN 52 N -1.85 4.18 -0.12 0.83 0.01 -1.26 -0.20 114.94 116.53 2rcd s ASN 52 Ca -0.06 -1.23 -0.01 0.00 -0.71 0.00 0.00 52.86 50.84 2rcd s ASN 52 Cb -0.01 -1.54 -0.02 0.00 0.41 0.00 0.00 41.25 40.09 2rcd s ASN 52 CO -0.00 -0.15 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.60 2rcd s LEU 53 N 1.15 3.06 -0.20 0.60 1.43 0.82 -5.01 118.68 120.53 2rcd s LEU 53 Ca -0.06 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2rcd s LEU 53 Cb -0.18 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2rcd s LEU 53 CO -0.07 0.22 -0.11 -0.31 0.23 0.00 0.00 176.35 176.32 2rcd s TYR 54 N 0.04 2.44 0.00 0.29 1.51 -1.26 -1.27 117.35 119.11 2rcd s TYR 54 Ca -0.02 -1.61 0.00 0.00 -1.01 0.00 0.00 57.07 54.43 2rcd s TYR 54 Cb -0.14 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 2rcd s TYR 54 CO 0.03 -0.75 0.00 0.41 -1.11 0.00 0.00 175.55 174.14 2rcd n GLY 55 N 4.68 1.20 0.21 0.71 0.00 0.89 -4.36 105.19 108.52 2rcd n GLY 55 Ca -0.15 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.24 2rcd n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2rcd h ILE 56 N 0.00 1.21 0.07 -0.61 6.09 -1.66 -2.04 117.51 120.58 2rcd h ILE 56 Ca 0.00 -1.00 -0.00 0.00 -1.37 0.00 0.00 64.86 62.48 2rcd h ILE 56 Cb 0.00 1.47 0.00 0.00 0.47 0.00 0.00 36.82 38.76 2rcd h ILE 56 CO 0.00 0.29 -0.03 -0.33 -3.07 0.00 0.00 178.15 175.01 2rcd h GLU 57 N 0.08 -0.09 -0.75 2.19 3.07 -1.86 0.34 114.58 117.56 2rcd h GLU 57 Ca 0.01 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2rcd h GLU 57 Cb 0.51 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 2rcd h GLU 57 CO 0.04 0.08 0.46 0.93 -1.40 0.00 0.00 179.01 179.12 2rcd h GLU 58 N -0.25 1.01 -0.65 2.33 5.08 -1.71 -2.04 114.58 118.36 2rcd h GLU 58 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2rcd h GLU 58 Cb 0.21 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2rcd h GLU 58 CO 0.02 0.71 0.42 0.82 -1.00 0.00 0.00 179.01 179.97 2rcd h ILE 59 N 1.02 1.18 -0.50 3.13 2.04 -1.17 -2.01 117.51 121.20 2rcd h ILE 59 Ca 0.27 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2rcd h ILE 59 Cb -0.05 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2rcd h ILE 59 CO -0.05 0.17 0.31 0.03 0.00 0.00 0.00 178.15 178.62 2rcd h ARG 60 N 0.88 0.67 0.02 2.37 3.08 -0.51 -1.96 114.38 118.94 2rcd h ARG 60 Ca 0.24 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2rcd h ARG 60 Cb -0.07 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.79 2rcd h ARG 60 CO -0.05 0.47 -0.24 0.00 -1.07 0.00 0.00 179.97 179.08 2rcd h ALA 61 N 1.16 -0.33 -0.82 0.04 0.00 -1.08 -2.26 119.26 115.96 2rcd h ALA 61 Ca 0.18 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.28 2rcd h ALA 61 Cb -0.04 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.05 2rcd h ALA 61 CO -0.04 -0.75 0.26 0.35 0.00 0.00 0.00 179.25 179.08 2rcd h PHE 62 N -0.39 0.42 -0.71 0.00 3.57 -1.07 -0.80 116.94 117.96 2rcd h PHE 62 Ca 0.06 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2rcd h PHE 62 Cb 0.46 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2rcd h PHE 62 CO -0.27 -0.09 0.44 0.00 -2.23 0.00 0.00 178.31 176.16 2rcd h ARG 63 N 0.31 0.96 0.01 1.11 2.47 -0.78 -0.80 114.38 117.64 2rcd h ARG 63 Ca 0.49 -0.08 -0.19 0.00 -1.26 0.00 0.00 59.98 58.95 2rcd h ARG 63 Cb 0.90 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 2rcd h ARG 63 CO -0.55 0.67 -0.87 -0.07 0.56 0.00 0.00 179.97 179.71 2rcd h LEU 64 N 0.97 0.13 -0.45 3.04 3.38 -0.89 -3.22 115.31 118.26 2rcd h LEU 64 Ca 0.26 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2rcd h LEU 64 Cb -0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2rcd h LEU 64 CO -0.05 0.93 -0.36 0.00 0.09 0.00 0.00 178.44 179.05 2rcd h ALA 65 N 1.06 0.84 -2.89 1.53 0.00 -0.87 -3.46 119.26 115.46 2rcd h ALA 65 Ca -0.03 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 2rcd h ALA 65 Cb 1.50 -0.06 0.09 0.00 0.00 0.00 0.00 17.79 19.33 2rcd h ALA 65 CO 0.12 0.45 0.61 0.50 0.00 0.00 0.00 179.25 180.93 2rcd s ARG 66 N -3.27 3.77 0.28 0.00 3.52 -0.34 -4.99 118.95 117.93 2rcd s ARG 66 Ca 0.03 2.17 -0.29 0.00 -0.13 0.00 0.00 55.73 57.50 2rcd s ARG 66 Cb 0.09 -2.62 -0.10 0.00 -1.56 0.00 0.00 34.95 30.75 2rcd s ARG 66 CO 0.70 -0.66 1.15 -2.14 -0.81 0.00 0.00 175.30 173.54 2rcd s PRO 67 N -2.43 4.57 0.15 5.12 0.02 -1.26 -4.99 135.00 136.18 2rcd s PRO 67 Ca 0.61 1.90 -0.09 0.00 0.02 0.00 0.00 61.00 63.44 2rcd s PRO 67 Cb -0.38 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 30.94 2rcd s PRO 67 CO 0.48 0.11 1.43 0.66 -0.33 0.00 0.00 177.00 179.35 2rcd h SER 68 N 3.81 0.86 -3.97 2.53 4.64 -1.98 -3.46 113.55 115.99 2rcd h SER 68 Ca -0.47 -0.47 -0.54 0.00 -0.47 0.00 0.00 61.79 59.84 2rcd h SER 68 Cb 1.21 -0.25 0.11 0.00 -0.31 0.00 0.00 62.40 63.17 2rcd h SER 68 CO 0.67 1.25 0.72 0.00 -0.87 0.00 0.00 176.83 178.60 2rcd s ALA 69 N -4.04 3.36 -1.54 5.18 0.00 -1.26 -3.46 121.76 119.99 2rcd s ALA 69 Ca -0.10 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2rcd s ALA 69 Cb 0.10 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2rcd s ALA 69 CO 0.88 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2rcd n GLY 70 N 0.55 0.82 0.17 0.00 0.00 -1.26 -4.91 105.19 100.56 2rcd n GLY 70 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 2rcd n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rcd h LEU 71 N 0.00 0.26-10.07 0.99 3.38 -1.85 -3.45 115.31 104.56 2rcd h LEU 71 Ca -0.34 -0.14 -0.55 0.00 0.09 0.00 0.00 57.88 56.93 2rcd h LEU 71 Cb 1.13 -0.07 0.14 0.00 0.09 0.00 0.00 40.66 41.95 2rcd h LEU 71 CO 0.46 0.79 0.57 -0.62 0.09 0.00 0.00 178.44 179.73 2rcd s ASP 72 N -6.89 5.08 0.16 -0.43 2.15 -1.26 -4.66 116.67 110.81 2rcd s ASP 72 Ca -0.04 2.69 -0.19 0.00 0.43 0.00 0.00 52.55 55.43 2rcd s ASP 72 Cb 0.12 -2.63 0.05 0.00 -0.30 0.00 0.00 42.92 40.16 2rcd s ASP 72 CO 0.79 -1.69 0.52 0.00 -0.17 0.00 0.00 175.17 174.62 2rcd s ARG 73 N -3.08 1.24 -0.18 4.34 1.70 -1.26 -4.85 118.95 116.86 2rcd s ARG 73 Ca 0.75 -0.65 -0.06 0.00 -0.47 0.00 0.00 55.73 55.30 2rcd s ARG 73 Cb -0.39 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 2rcd s ARG 73 CO 0.44 -0.52 0.03 0.00 -1.08 0.00 0.00 175.30 174.17 2rcd s ALA 74 N -3.80 3.25 0.53 7.88 0.00 -0.05 -4.96 121.76 124.61 2rcd s ALA 74 Ca 0.04 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 2rcd s ALA 74 Cb -0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2rcd s ALA 74 CO -0.10 0.10 0.88 -0.51 0.00 0.00 0.00 175.76 176.14 2rcd s LEU 75 N 0.52 3.50 -0.20 0.00 1.43 -1.26 -1.54 118.68 121.13 2rcd s LEU 75 Ca 0.01 1.16 -0.27 0.00 -1.03 0.00 0.00 54.13 54.00 2rcd s LEU 75 Cb -0.13 -4.14 0.08 0.00 0.03 0.00 0.00 46.19 42.02 2rcd s LEU 75 CO 0.02 -0.67 0.75 -0.60 0.23 0.00 0.00 176.35 176.07 2rcd s ARG 76 N -4.79 0.86 -1.51 1.70 3.52 -0.13 -4.93 118.95 113.68 2rcd s ARG 76 Ca 0.51 0.72 -0.09 0.00 -0.13 0.00 0.00 55.73 56.74 2rcd s ARG 76 Cb -0.11 0.42 0.07 0.00 -1.56 0.00 0.00 34.95 33.77 2rcd s ARG 76 CO 0.46 -0.17 0.72 0.09 -0.81 0.00 0.00 175.30 175.60 2rcd n ASN 77 N 2.06 -2.51 -4.73 -2.12 3.02 -1.26 -0.77 115.26 108.94 2rcd n ASN 77 Ca -0.15 -0.92 -0.41 0.00 -0.03 0.00 0.00 54.58 53.07 2rcd n ASN 77 Cb 0.56 -3.36 -0.04 0.00 -0.61 0.00 0.00 39.78 36.33 2rcd n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rcd s THR 78 N -3.55 3.74 -0.13 3.41 2.01 -1.26 -4.27 115.64 115.59 2rcd s THR 78 Ca 0.39 1.45 -0.04 0.00 0.31 0.00 0.00 61.69 63.80 2rcd s THR 78 Cb -0.20 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.44 2rcd s THR 78 CO 0.87 0.22 0.11 -0.69 -0.69 0.00 0.00 174.62 174.44 2rcd s VAL 79 N 0.03 -0.14 -0.19 3.82 1.01 0.59 -5.00 120.40 120.52 2rcd s VAL 79 Ca 0.52 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 2rcd s VAL 79 Cb -0.31 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 2rcd s VAL 79 CO 0.35 -0.10 -0.10 -0.63 0.00 0.00 0.00 175.10 174.62 2rcd s ILE 80 N 2.19 2.96 -0.10 2.22 1.01 -1.26 -0.29 121.20 127.93 2rcd s ILE 80 Ca 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2rcd s ILE 80 Cb -0.14 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.04 2rcd s ILE 80 CO -0.07 0.47 -0.13 -0.89 0.00 0.00 0.00 174.94 174.32 2rcd s THR 81 N 1.20 1.33 0.04 2.92 2.01 -0.36 -5.00 115.64 117.77 2rcd s THR 81 Ca 0.02 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 2rcd s THR 81 Cb -0.14 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2rcd s THR 81 CO -0.04 0.41 0.19 0.42 -0.69 0.00 0.00 174.62 174.91 2rcd s THR 82 N 0.99 5.32 -0.31 -0.82 -4.23 -1.26 -1.29 115.64 114.05 2rcd s THR 82 Ca -0.07 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 2rcd s THR 82 Cb -0.15 -3.56 0.09 0.00 1.34 0.00 0.00 72.50 70.23 2rcd s THR 82 CO -0.01 0.20 0.03 -0.31 -0.54 0.00 0.00 174.62 173.99 2rcd s TYR 83 N -1.44 2.94 0.00 3.99 2.02 -1.26 -1.33 117.35 122.27 2rcd s TYR 83 Ca 0.32 -2.39 0.00 0.00 -0.37 0.00 0.00 57.07 54.63 2rcd s TYR 83 Cb -0.13 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.15 2rcd s TYR 83 CO 0.24 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.74 2rcd n GLY 84 N 4.50 0.55 0.98 0.71 0.00 -0.49 -3.92 105.19 107.52 2rcd n GLY 84 Ca -0.02 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.24 2rcd n GLY 84 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2rcd n HIS 85 N 6.32 0.26 -2.86 1.61 1.44 -1.26 -4.73 115.22 116.00 2rcd n HIS 85 Ca 0.00 -0.14 -0.11 0.00 -2.01 0.00 0.00 57.72 55.45 2rcd n HIS 85 Cb 0.00 -0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 2rcd n HIS 85 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2rcd n ASP 86 N 1.30 -0.64 0.00 4.39 5.68 -1.25 -4.88 116.55 121.16 2rcd n ASP 86 Ca 0.16 -3.09 0.00 0.00 -0.50 0.00 0.00 54.79 51.35 2rcd n ASP 86 Cb 0.56 0.56 0.00 0.00 -1.14 0.00 0.00 41.12 41.09 2rcd n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rcd n ALA 88 N 0.09 0.00 -3.42 2.12 0.00 -0.66 -1.25 120.51 117.38 2rcd n ALA 88 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 2rcd n ALA 88 Cb 0.74 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.02 2rcd n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rcd s VAL 89 N -1.96 1.99 -0.20 0.00 1.01 -0.41 -0.65 120.40 120.18 2rcd s VAL 89 Ca 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2rcd s VAL 89 Cb 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.65 2rcd s VAL 89 CO 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.52 2rcd s ALA 90 N 0.56 2.58 0.00 5.51 0.00 0.26 -1.22 121.76 129.46 2rcd s ALA 90 Ca -0.14 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 50.71 2rcd s ALA 90 Cb -0.17 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2rcd s ALA 90 CO 0.04 -0.39 -0.26 -1.12 0.00 0.00 0.00 175.76 174.03 2rcd s SER 91 N 1.39 3.07 -0.02 0.00 0.01 0.60 -1.19 113.70 117.55 2rcd s SER 91 Ca 0.05 -0.51 -0.26 0.00 1.31 0.00 0.00 55.95 56.55 2rcd s SER 91 Cb -0.14 -0.32 0.06 0.00 0.21 0.00 0.00 66.02 65.83 2rcd s SER 91 CO -0.08 0.30 0.57 0.28 0.41 0.00 0.00 173.24 174.72 2rcd s THR 92 N -0.67 0.02 0.27 1.44 -1.32 0.17 -0.30 115.64 115.24 2rcd s THR 92 Ca 0.10 -0.15 0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2rcd s THR 92 Cb -0.10 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 2rcd s THR 92 CO -0.00 -0.08 0.43 -1.61 -2.21 0.00 0.00 174.62 171.15 2rcd s GLU 93 N -1.55 3.47 0.07 7.08 2.02 0.05 -0.54 118.70 129.30 2rcd s GLU 93 Ca -0.10 -0.51 -0.16 0.00 0.02 0.00 0.00 54.97 54.23 2rcd s GLU 93 Cb -0.01 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.45 2rcd s GLU 93 CO 0.06 0.33 0.36 -0.59 0.02 0.00 0.00 175.26 175.44 2rcd s PHE 94 N -2.06 -0.17 0.09 1.61 -0.12 0.55 -0.95 117.98 116.92 2rcd s PHE 94 Ca 0.37 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 57.25 2rcd s PHE 94 Cb -0.10 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 2rcd s PHE 94 CO 0.31 -0.58 0.01 0.95 -0.05 0.00 0.00 175.22 175.87 2rcd s THR 95 N -2.91 0.18 0.14 -4.49 -4.23 -0.59 -0.44 115.64 103.29 2rcd s THR 95 Ca -0.02 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 2rcd s THR 95 Cb 0.00 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 2rcd s THR 95 CO -0.06 -0.72 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.13 2rcd s ARG 96 N -3.98 1.00 0.20 3.99 0.52 -1.26 -0.87 118.95 118.55 2rcd s ARG 96 Ca 0.16 -1.44 -0.07 0.00 -0.52 0.00 0.00 55.73 53.86 2rcd s ARG 96 Cb 0.08 -0.37 0.13 0.00 0.52 0.00 0.00 34.95 35.31 2rcd s ARG 96 CO -0.04 -0.03 1.65 1.15 0.02 0.00 0.00 175.30 178.06 2rcd h THR 97 N 2.81 1.26 -0.52 0.02 2.02 -1.98 -3.22 112.91 113.31 2rcd h THR 97 Ca -0.36 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 2rcd h THR 97 Cb 1.19 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2rcd h THR 97 CO 0.64 0.42 0.24 1.23 0.37 0.00 0.00 175.52 178.42 2rcd h GLY 98 N 0.97 0.81 -2.81 2.16 0.00 -1.97 -3.46 103.07 98.76 2rcd h GLY 98 Ca 0.15 -0.41 -0.50 0.00 0.00 0.00 0.00 47.33 46.57 2rcd h GLY 98 CO 0.04 0.39 -0.12 -0.45 0.00 0.00 0.00 176.54 176.40 2rcd s SER 99 N -5.93 6.36 -0.04 0.19 0.15 -1.22 -5.02 113.70 108.20 2rcd s SER 99 Ca -0.13 0.65 0.20 0.00 0.70 0.00 0.00 55.95 57.37 2rcd s SER 99 Cb 0.12 -2.12 -0.30 0.00 -1.71 0.00 0.00 66.02 62.00 2rcd s SER 99 CO 0.77 -0.29 0.41 0.41 1.20 0.00 0.00 173.24 175.74 2rcd n THR 100 N -1.46 0.08 -2.51 6.45 -1.04 -1.26 -4.66 114.28 109.88 2rcd n THR 100 Ca -0.02 -0.48 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 2rcd n THR 100 Cb 0.55 0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 69.04 2rcd n THR 100 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2rcd s LYS 101 N -3.33 3.83 -0.21 -2.82 3.01 -1.26 -5.04 119.74 113.92 2rcd s LYS 101 Ca -0.07 1.43 -0.13 0.00 -1.01 0.00 0.00 55.97 56.19 2rcd s LYS 101 Cb 0.12 -2.19 -0.05 0.00 -1.01 0.00 0.00 37.83 34.71 2rcd s LYS 101 CO 0.82 -0.42 0.27 0.42 0.51 0.00 0.00 175.35 176.96 2rcd s ILE 102 N -1.88 5.29 0.24 2.17 -1.09 -1.26 -4.75 121.20 119.92 2rcd s ILE 102 Ca 0.66 0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 59.47 2rcd s ILE 102 Cb -0.19 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2rcd s ILE 102 CO 0.23 0.32 0.50 -0.83 -1.23 0.00 0.00 174.94 173.92 2rcd s GLY 103 N 0.94 1.98 -0.00 6.18 0.00 0.42 -4.47 107.32 112.35 2rcd s GLY 103 Ca 0.13 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.32 2rcd s GLY 103 CO 0.05 -0.45 -0.07 0.50 0.00 0.00 0.00 173.10 173.13 2rcd s ARG 104 N -3.26 0.60 0.25 2.90 3.00 0.36 -0.33 118.95 122.46 2rcd s ARG 104 Ca 0.43 -0.28 0.01 0.00 0.00 0.00 0.00 55.73 55.89 2rcd s ARG 104 Cb -0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 34.95 34.22 2rcd s ARG 104 CO 0.28 0.16 0.14 -1.14 0.00 0.00 0.00 175.30 174.73 2rcd s GLN 105 N -0.22 1.40 0.00 3.54 0.74 0.30 -1.68 119.66 123.75 2rcd s GLN 105 Ca 0.02 -1.77 0.00 0.00 0.05 0.00 0.00 55.36 53.67 2rcd s GLN 105 Cb -0.03 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.09 2rcd s GLN 105 CO -0.00 -0.39 0.00 1.04 -0.55 0.00 0.00 175.29 175.39 2rcd n GLN 107 N -0.43 0.00 -3.86 1.67 6.02 -0.34 -0.66 117.38 119.78 2rcd n GLN 107 Ca 0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.65 2rcd n GLN 107 Cb 0.66 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.78 2rcd n GLN 107 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2rcd s THR 108 N -1.02 3.48 0.04 5.09 2.01 -0.58 -0.58 115.64 124.09 2rcd s THR 108 Ca 0.00 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 2rcd s THR 108 Cb 0.00 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 2rcd s THR 108 CO 0.00 0.24 0.17 0.26 -0.69 0.00 0.00 174.62 174.60 2rcd s TRP 109 N 1.45 3.46 -0.01 4.92 0.52 0.18 -0.89 118.94 128.58 2rcd s TRP 109 Ca 0.03 0.25 0.00 0.00 0.02 0.00 0.00 56.10 56.41 2rcd s TRP 109 Cb -0.16 -1.76 0.00 0.00 -1.15 0.00 0.00 33.47 30.41 2rcd s TRP 109 CO -0.01 0.59 -0.01 0.08 0.02 0.00 0.00 176.95 177.62 2rcd s VAL 110 N -1.42 0.13 0.54 4.03 1.01 -0.23 -1.65 120.40 122.82 2rcd s VAL 110 Ca 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 2rcd s VAL 110 Cb -0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 2rcd s VAL 110 CO 0.23 0.05 0.88 -0.75 0.00 0.00 0.00 175.10 175.51 2rcd s LYS 111 N 0.14 3.41 0.04 2.72 2.20 -0.38 -0.97 119.74 126.89 2rcd s LYS 111 Ca -0.01 0.30 -0.05 0.00 -0.36 0.00 0.00 55.97 55.84 2rcd s LYS 111 Cb -0.03 -2.27 -0.29 0.00 -1.51 0.00 0.00 37.83 33.73 2rcd s LYS 111 CO -0.00 -0.42 1.00 -1.35 -0.36 0.00 0.00 175.35 174.21 2rcd h PRO 113 N -0.01 0.30 0.00 4.03 0.11 -2.04 -3.48 132.00 130.90 2rcd h PRO 113 Ca -0.46 -0.51 0.00 0.00 0.11 0.00 0.00 66.00 65.14 2rcd h PRO 113 Cb 1.21 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2rcd h PRO 113 CO 0.62 1.21 0.00 -0.85 -0.21 0.00 0.00 178.00 178.77 2rcd n GLU 114 N -3.53 0.01 0.00 1.05 0.00 -1.26 -5.02 120.64 111.90 2rcd n GLU 114 Ca -0.13 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.13 2rcd n GLU 114 Cb 1.04 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.97 2rcd n GLU 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rcd n GLY 115 N 0.92 0.91 3.72 -1.84 0.00 -1.26 -5.06 105.19 102.58 2rcd n GLY 115 Ca 0.06 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2rcd n GLY 115 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rcd s TRP 116 N -0.99 3.00 -0.01 1.61 0.52 -1.26 -4.60 118.94 117.21 2rcd s TRP 116 Ca 0.00 0.58 0.01 0.00 0.02 0.00 0.00 56.10 56.71 2rcd s TRP 116 Cb 0.00 -3.99 -0.00 0.00 -1.15 0.00 0.00 33.47 28.33 2rcd s TRP 116 CO 0.00 -3.63 -0.04 1.03 0.02 0.00 0.00 176.95 174.33 2rcd s ARG 117 N 0.98 0.35 -0.30 4.98 1.81 -0.14 -4.84 118.95 121.80 2rcd s ARG 117 Ca 0.70 -0.14 -0.29 0.00 -1.72 0.00 0.00 55.73 54.29 2rcd s ARG 117 Cb -0.45 -0.35 0.01 0.00 -0.45 0.00 0.00 34.95 33.71 2rcd s ARG 117 CO 0.33 0.07 1.09 0.42 -0.68 0.00 0.00 175.30 176.53 2rcd s ILE 118 N -0.01 4.51 -0.12 1.52 1.01 0.17 -1.06 121.20 127.22 2rcd s ILE 118 Ca 0.01 1.76 0.20 0.00 0.00 0.00 0.00 60.65 62.62 2rcd s ILE 118 Cb -0.03 -4.36 -0.21 0.00 0.01 0.00 0.00 42.46 37.87 2rcd s ILE 118 CO -0.00 -0.41 0.60 1.33 0.00 0.00 0.00 174.94 176.46 2rcd n VAL 119 N 5.77 0.62 -3.71 2.92 0.24 -0.07 -1.02 118.33 123.08 2rcd n VAL 119 Ca 0.12 -0.61 -0.13 0.00 -2.04 0.00 0.00 64.34 61.68 2rcd n VAL 119 Cb 0.47 -0.31 -0.10 0.00 -1.47 0.00 0.00 33.84 32.43 2rcd n VAL 119 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rcd s ALA 120 N -3.19 -1.14 -0.02 2.33 0.00 -1.23 -2.87 121.76 115.64 2rcd s ALA 120 Ca -0.06 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 2rcd s ALA 120 Cb 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2rcd s ALA 120 CO 0.85 -0.23 0.08 0.00 0.00 0.00 0.00 175.76 176.46 2rcd s ALA 121 N 0.44 -0.19 -0.06 0.00 0.00 -0.50 -1.52 121.76 119.92 2rcd s ALA 121 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 2rcd s ALA 121 Cb -0.04 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2rcd s ALA 121 CO -0.02 -0.09 -0.03 -1.58 0.00 0.00 0.00 175.76 174.05 2rcd s HIS 122 N -0.43 0.76 -0.01 0.00 5.65 -1.26 -0.90 115.29 119.10 2rcd s HIS 122 Ca -0.05 -0.23 0.05 0.00 0.25 0.00 0.00 55.06 55.09 2rcd s HIS 122 Cb -0.03 -0.76 -0.01 0.00 -1.18 0.00 0.00 32.58 30.60 2rcd s HIS 122 CO 0.00 -0.27 -0.17 0.08 -0.65 0.00 0.00 174.74 173.73 2rcd s VAL 123 N 1.41 1.35 0.20 0.89 1.01 0.12 -4.21 120.40 121.18 2rcd s VAL 123 Ca -0.03 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 2rcd s VAL 123 Cb -0.13 -1.13 0.05 0.00 0.00 0.00 0.00 36.38 35.17 2rcd s VAL 123 CO -0.03 0.37 0.80 -0.94 0.00 0.00 0.00 175.10 175.30 2rcd s SER 124 N -0.44 -0.28 0.00 3.32 1.04 -0.67 -2.33 113.70 114.35 2rcd s SER 124 Ca 0.06 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2rcd s SER 124 Cb -0.07 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2rcd s SER 124 CO -0.01 -1.11 0.00 0.18 0.98 0.00 0.00 173.24 173.29 2rcd n LEU 125 N -0.44 0.00 0.00 2.42 4.77 -1.26 -0.49 117.00 122.00 2rcd n LEU 125 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2rcd n LEU 125 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2rcd n LEU 125 CO 0.14 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.96