#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 -0.50 0.48 0.99 1.43 -1.26 -5.08 118.68 114.74 2rcd s LEU 2 Ca 0.00 0.32 0.19 0.00 -1.03 0.00 0.00 54.13 53.61 2rcd s LEU 2 Cb 0.00 2.48 1.21 0.00 0.03 0.00 0.00 46.19 49.91 2rcd s LEU 2 CO 0.00 -0.78 2.00 1.55 0.23 0.00 0.00 176.35 179.36 2rcd h PRO 3 N 2.55 0.19 0.00 1.29 0.13 -2.05 -2.04 132.00 132.07 2rcd h PRO 3 Ca -0.31 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2rcd h PRO 3 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2rcd h PRO 3 CO 0.39 0.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 2rcd n ASP 4 N -4.44 0.00 -0.86 1.44 9.92 -1.26 -3.20 116.55 118.15 2rcd n ASP 4 Ca 0.09 0.11 0.12 0.00 -0.53 0.00 0.00 54.79 54.57 2rcd n ASP 4 Cb 0.44 -0.34 0.23 0.00 -0.64 0.00 0.00 41.12 40.81 2rcd n ASP 4 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2rcd n ASP 5 N -1.34 2.66 -4.72 -2.24 8.00 -0.77 -4.83 116.55 113.31 2rcd n ASP 5 Ca 0.09 -1.87 -0.38 0.00 0.71 0.00 0.00 54.79 53.34 2rcd n ASP 5 Cb 0.20 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.90 5.17 -1.13 2.53 1.01 -1.19 -0.72 120.40 124.16 2rcd s VAL 6 Ca 0.32 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 2rcd s VAL 6 Cb 0.21 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2rcd s VAL 6 CO 0.31 0.32 0.93 0.59 0.00 0.00 0.00 175.10 177.25 2rcd n ASN 7 N 3.67 -4.31 -4.71 3.32 3.02 -0.45 -4.95 115.26 110.85 2rcd n ASN 7 Ca -0.06 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 2rcd n ASN 7 Cb 0.52 -5.00 -0.03 0.00 -0.61 0.00 0.00 39.78 34.65 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 -4.98 4.33 0.12 3.52 -0.21 -1.26 -4.90 119.66 116.27 2rcd s GLN 8 Ca 0.24 2.02 -0.26 0.00 0.02 0.00 0.00 55.36 57.38 2rcd s GLN 8 Cb -0.04 -3.32 -0.07 0.00 1.00 0.00 0.00 33.01 30.58 2rcd s GLN 8 CO 0.75 -0.44 1.44 0.00 -2.12 0.00 0.00 175.29 174.92 2rcd h ALA 9 N 7.01 -0.57 -0.91 6.09 0.00 -1.98 -1.38 119.26 127.52 2rcd h ALA 9 Ca -0.41 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2rcd h ALA 9 Cb 1.20 1.18 -0.05 0.00 0.00 0.00 0.00 17.79 20.13 2rcd h ALA 9 CO 0.86 -0.85 0.60 -0.44 0.00 0.00 0.00 179.25 179.42 2rcd h ASP 10 N -0.16 1.01 -0.46 0.00 5.19 -2.00 -0.71 116.42 119.29 2rcd h ASP 10 Ca 0.10 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 2rcd h ASP 10 Cb 0.41 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2rcd h ASP 10 CO -0.63 0.71 0.04 0.58 -3.12 0.00 0.00 179.24 176.82 2rcd h VAL 11 N 1.18 1.25 -0.52 -1.35 2.07 -1.81 -2.69 116.25 114.38 2rcd h VAL 11 Ca 0.35 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2rcd h VAL 11 Cb -0.05 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2rcd h VAL 11 CO -0.09 0.34 0.08 0.25 0.02 0.00 0.00 177.57 178.17 2rcd h LEU 12 N 0.64 0.78 -0.64 2.57 5.85 -0.54 -2.23 115.31 121.73 2rcd h LEU 12 Ca 0.14 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2rcd h LEU 12 Cb 0.44 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2rcd h LEU 12 CO 0.02 0.79 0.15 0.00 -0.34 0.00 0.00 178.44 179.06 2rcd h ALA 13 N 1.30 0.85 -0.32 1.25 0.00 -1.01 -1.74 119.26 119.59 2rcd h ALA 13 Ca 0.16 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2rcd h ALA 13 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2rcd h ALA 13 CO 0.01 0.57 -0.19 -0.44 0.00 0.00 0.00 179.25 179.19 2rcd h ASP 14 N 0.95 0.72 0.00 0.00 3.32 -1.23 -2.67 116.42 117.52 2rcd h ASP 14 Ca 0.20 -0.43 -0.15 0.00 0.02 0.00 0.00 57.03 56.68 2rcd h ASP 14 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2rcd h ASP 14 CO 0.00 0.99 -0.49 0.58 -1.72 0.00 0.00 179.24 178.60 2rcd h VAL 15 N 0.46 1.31 -0.39 -1.35 2.07 -1.39 -2.12 116.25 114.83 2rcd h VAL 15 Ca 0.07 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 2rcd h VAL 15 Cb 0.74 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2rcd h VAL 15 CO 0.05 0.53 0.17 0.74 0.02 0.00 0.00 177.57 179.09 2rcd h THR 16 N 0.44 1.18 -0.69 2.57 2.02 -1.29 -0.03 112.91 117.11 2rcd h THR 16 Ca 0.02 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 66.71 2rcd h THR 16 Cb 1.01 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 2rcd h THR 16 CO 0.09 0.20 0.40 0.00 0.37 0.00 0.00 175.52 176.58 2rcd h ALA 17 N 1.02 0.92 -0.65 6.16 0.00 -1.38 -1.61 119.26 123.71 2rcd h ALA 17 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2rcd h ALA 17 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2rcd h ALA 17 CO -0.01 0.11 0.28 0.00 0.00 0.00 0.00 179.25 179.63 2rcd h ALA 18 N 1.34 0.85 -0.44 0.00 0.00 -0.99 -1.38 119.26 118.64 2rcd h ALA 18 Ca 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2rcd h ALA 18 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2rcd h ALA 18 CO -0.16 0.44 0.26 0.35 0.00 0.00 0.00 179.25 180.14 2rcd h PHE 19 N 0.91 0.58 -0.04 0.00 3.57 -0.39 -0.55 116.94 121.03 2rcd h PHE 19 Ca 0.22 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.58 2rcd h PHE 19 Cb 0.17 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2rcd h PHE 19 CO 0.01 0.42 -0.59 1.88 -2.23 0.00 0.00 178.31 177.80 2rcd h TYR 20 N 0.58 0.18 -0.65 0.41 0.05 -1.20 -1.27 116.97 115.07 2rcd h TYR 20 Ca 0.16 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 2rcd h TYR 20 Cb 0.01 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 2rcd h TYR 20 CO -0.03 0.70 0.17 -0.09 -1.05 0.00 0.00 178.16 177.85 2rcd h ARG 21 N 0.11 1.03 -0.74 4.88 2.43 -0.97 -1.69 114.38 119.43 2rcd h ARG 21 Ca -0.01 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 2rcd h ARG 21 Cb 1.07 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 2rcd h ARG 21 CO 0.09 0.92 0.36 -0.92 -1.51 0.00 0.00 179.97 178.91 2rcd h TYR 22 N 0.95 1.06 -0.61 2.20 3.20 -0.78 -2.09 116.97 120.91 2rcd h TYR 22 Ca 0.20 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.06 2rcd h TYR 22 Cb 0.35 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2rcd h TYR 22 CO 0.03 0.78 0.40 1.49 -1.64 0.00 0.00 178.16 179.21 2rcd h GLU 23 N 1.04 0.67 0.06 1.82 4.57 -0.75 0.71 114.58 122.70 2rcd h GLU 23 Ca 0.26 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2rcd h GLU 23 Cb 0.11 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2rcd h GLU 23 CO -0.03 0.44 -0.03 -0.22 -1.18 0.00 0.00 179.01 177.99 2rcd h LYS 24 N 0.69 -0.08 -0.98 1.92 3.64 -0.95 -2.52 116.57 118.29 2rcd h LYS 24 Ca 0.25 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 2rcd h LYS 24 Cb 0.13 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2rcd h LYS 24 CO -0.07 0.30 0.64 0.00 -2.27 0.00 0.00 179.45 178.05 2rcd h ALA 25 N 0.43 1.29 -0.02 5.00 0.00 -0.87 -1.78 119.26 123.30 2rcd h ALA 25 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2rcd h ALA 25 Cb 0.42 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2rcd h ALA 25 CO 0.01 0.54 0.00 1.25 0.00 0.00 0.00 179.25 181.06 2rcd h LEU 26 N 1.25 0.04 -0.80 0.00 5.85 -0.85 0.12 115.31 120.91 2rcd h LEU 26 Ca 0.39 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2rcd h LEU 26 Cb -0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2rcd h LEU 26 CO -0.12 0.27 -0.30 0.71 -0.34 0.00 0.00 178.44 178.66 2rcd h THR 27 N -0.20 0.66 -0.27 1.05 1.35 -1.28 -2.79 112.91 111.43 2rcd h THR 27 Ca 0.01 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 2rcd h THR 27 Cb 0.25 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2rcd h THR 27 CO 0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2rcd n GLY 28 N 0.43 1.38 3.74 5.82 0.00 -0.69 -4.28 105.19 111.60 2rcd n GLY 28 Ca 0.01 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 1.33 -1.80 -4.47 1.61 5.15 0.04 -4.90 115.26 112.22 2rcd n ASN 29 Ca 0.18 -0.82 -0.44 0.00 -0.60 0.00 0.00 54.58 52.91 2rcd n ASN 29 Cb 0.58 -4.00 0.00 0.00 -0.53 0.00 0.00 39.78 35.83 2rcd n ASN 29 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2rcd n ASP 30 N -3.02 5.11 -0.32 1.20 -0.08 0.20 -4.85 116.55 114.81 2rcd n ASP 30 Ca -0.24 -2.96 0.15 0.00 -1.51 0.00 0.00 54.79 50.23 2rcd n ASP 30 Cb 0.65 -1.62 0.39 0.00 2.34 0.00 0.00 41.12 42.88 2rcd n ASP 30 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2rcd h VAL 31 N 4.89 0.69 0.09 5.18 2.07 -1.91 -0.86 116.25 126.40 2rcd h VAL 31 Ca 0.37 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2rcd h VAL 31 Cb 0.86 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2rcd h VAL 31 CO 1.33 0.12 -0.06 0.00 0.02 0.00 0.00 177.57 178.98 2rcd h ALA 32 N 1.63 -0.14 -0.36 1.67 0.00 -1.98 0.53 119.26 120.60 2rcd h ALA 32 Ca 0.55 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.28 2rcd h ALA 32 Cb 1.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2rcd h ALA 32 CO -0.31 -0.59 -0.38 0.28 0.00 0.00 0.00 179.25 178.26 2rcd h VAL 33 N -0.15 1.28 -0.91 0.00 2.07 -1.84 -0.93 116.25 115.76 2rcd h VAL 33 Ca -0.00 -1.55 0.08 0.00 0.82 0.00 0.00 66.70 66.05 2rcd h VAL 33 Cb 0.14 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2rcd h VAL 33 CO 0.00 0.51 0.59 -0.07 0.02 0.00 0.00 177.57 178.63 2rcd h LEU 34 N 0.71 0.88 -0.23 2.57 3.38 -1.03 -0.56 115.31 121.02 2rcd h LEU 34 Ca 0.06 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2rcd h LEU 34 Cb 0.95 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2rcd h LEU 34 CO 0.09 0.54 -0.27 -0.78 0.09 0.00 0.00 178.44 178.11 2rcd h ASP 35 N 0.98 0.64 -0.25 -0.43 3.58 -0.68 -3.10 116.42 117.17 2rcd h ASP 35 Ca 0.41 -0.49 0.05 0.00 0.42 0.00 0.00 57.03 57.42 2rcd h ASP 35 Cb 0.29 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 2rcd h ASP 35 CO -0.17 1.00 -0.08 -0.08 -2.88 0.00 0.00 179.24 177.04 2rcd h GLU 36 N 0.30 -0.03 0.00 0.28 4.81 -0.51 -2.92 114.58 116.51 2rcd h GLU 36 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2rcd h GLU 36 Cb 0.83 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2rcd h GLU 36 CO 0.06 -0.02 0.00 1.28 -0.73 0.00 0.00 179.01 179.61 2rcd n LEU 37 N -5.24 0.37 -4.87 1.64 4.77 -0.28 -4.67 117.00 108.72 2rcd n LEU 37 Ca -0.01 0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 56.20 2rcd n LEU 37 Cb 0.16 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2rcd n LEU 37 CO 0.21 -0.40 0.01 -0.36 -1.33 0.00 0.00 177.39 175.53 2rcd s PHE 38 N -3.17 3.61 0.22 -1.77 0.40 -1.10 -0.56 117.98 115.62 2rcd s PHE 38 Ca 0.06 0.73 -0.31 0.00 -0.60 0.00 0.00 56.93 56.81 2rcd s PHE 38 Cb 0.10 -2.10 -0.11 0.00 0.51 0.00 0.00 43.02 41.42 2rcd s PHE 38 CO 0.35 0.59 1.56 -0.46 0.70 0.00 0.00 175.22 177.96 2rcd s TRP 39 N -1.27 2.96 -1.13 0.36 -0.00 -0.16 -4.80 118.94 114.90 2rcd s TRP 39 Ca 0.28 0.74 -0.14 0.00 -0.00 0.00 0.00 56.10 56.98 2rcd s TRP 39 Cb -0.14 -3.96 0.18 0.00 -0.00 0.00 0.00 33.47 29.55 2rcd s TRP 39 CO 0.15 -3.36 1.32 -1.58 -0.00 0.00 0.00 176.95 173.49 2rcd s HIS 40 N 0.55 3.52 0.04 5.86 5.65 -1.26 -4.69 115.29 124.96 2rcd s HIS 40 Ca 0.66 -2.05 -0.22 0.00 0.25 0.00 0.00 55.06 53.70 2rcd s HIS 40 Cb -0.45 -4.24 0.05 0.00 -1.18 0.00 0.00 32.58 26.76 2rcd s HIS 40 CO 0.39 -1.35 0.50 0.34 -0.65 0.00 0.00 174.74 173.96 2rcd s ASP 41 N 2.80 -0.41 0.57 9.88 -1.08 -1.26 -5.02 116.67 122.15 2rcd s ASP 41 Ca 0.39 0.17 0.26 0.00 -0.52 0.00 0.00 52.55 52.84 2rcd s ASP 41 Cb -0.04 0.47 1.62 0.00 -1.46 0.00 0.00 42.92 43.51 2rcd s ASP 41 CO -0.03 -0.69 2.16 1.05 0.52 0.00 0.00 175.17 178.19 2rcd h GLU 42 N 2.90 0.00 -0.00 4.34 9.09 -1.94 -2.16 114.58 126.81 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 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 2rcd h GLU 42 CO 0.41 0.00 -0.26 1.63 0.05 0.00 0.00 179.01 180.84 2rcd n LYS 43 N -4.03 0.24 -1.90 1.06 5.02 -1.26 -2.77 118.16 114.53 2rcd n LYS 43 Ca -0.01 -0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.77 2rcd n LYS 43 Cb 0.20 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.83 2.29 -0.06 -0.18 2.01 -1.10 -4.75 115.64 111.01 2rcd s THR 44 Ca 0.17 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.47 2rcd s THR 44 Cb 0.19 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.53 2rcd s THR 44 CO 0.59 0.06 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.73 2rcd s VAL 45 N -0.72 1.38 -0.20 3.82 1.01 -1.13 -0.00 120.40 124.56 2rcd s VAL 45 Ca 0.55 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2rcd s VAL 45 Cb -0.45 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 34.77 2rcd s VAL 45 CO 0.55 0.41 -0.03 -0.60 0.00 0.00 0.00 175.10 175.43 2rcd s ARG 46 N 0.41 1.25 -0.36 2.72 3.52 -0.48 -1.07 118.95 124.94 2rcd s ARG 46 Ca -0.12 -0.65 -0.16 0.00 -0.13 0.00 0.00 55.73 54.66 2rcd s ARG 46 Cb -0.15 -2.24 -0.00 0.00 -1.56 0.00 0.00 34.95 31.00 2rcd s ARG 46 CO 0.04 -0.56 0.42 0.71 -0.81 0.00 0.00 175.30 175.11 2rcd s TYR 47 N 1.62 3.19 0.30 5.12 2.02 -0.32 -0.68 117.35 128.60 2rcd s TYR 47 Ca -0.02 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.70 2rcd s TYR 47 Cb -0.17 -2.79 0.04 0.00 -0.40 0.00 0.00 41.96 38.64 2rcd s TYR 47 CO -0.07 -0.51 0.37 0.41 -1.57 0.00 0.00 175.55 174.18 2rcd n GLY 48 N 4.94 2.17 0.31 0.71 0.00 0.69 0.38 105.19 114.39 2rcd n GLY 48 Ca -0.07 -2.19 -0.03 0.00 0.00 0.00 0.00 46.02 43.72 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 0.40 1.04 0.00 4.61 0.00 -1.88 -3.28 119.26 120.15 2rcd h ALA 49 Ca -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2rcd h ALA 49 Cb 0.66 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2rcd h ALA 49 CO 0.22 0.41 -0.49 0.41 0.00 0.00 0.00 179.25 179.80 2rcd n GLY 50 N -1.32 3.05 3.53 0.00 0.00 -1.26 -4.84 105.19 104.34 2rcd n GLY 50 Ca 0.09 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.65 0.97 -0.22 1.61 1.03 -1.24 -5.14 118.70 114.07 2rcd s GLU 51 Ca 0.27 0.26 -0.02 0.00 0.03 0.00 0.00 54.97 55.50 2rcd s GLU 51 Cb 0.27 0.46 0.01 0.00 -0.80 0.00 0.00 34.13 34.06 2rcd s GLU 51 CO -0.05 -0.30 -0.08 -0.80 -1.33 0.00 0.00 175.26 172.70 2rcd s ASN 52 N -1.13 4.08 -0.08 0.83 0.02 -1.26 -0.22 114.94 117.17 2rcd s ASN 52 Ca -0.09 -0.60 0.05 0.00 -1.02 0.00 0.00 52.86 51.20 2rcd s ASN 52 Cb -0.00 -1.67 -0.00 0.00 0.02 0.00 0.00 41.25 39.60 2rcd s ASN 52 CO 0.08 -0.05 -0.24 -0.76 0.02 0.00 0.00 177.10 176.15 2rcd s LEU 53 N 1.39 2.09 -0.13 0.60 1.43 0.15 -5.01 118.68 119.20 2rcd s LEU 53 Ca 0.04 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2rcd s LEU 53 Cb -0.15 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.69 2rcd s LEU 53 CO -0.06 0.20 -0.21 -0.31 0.23 0.00 0.00 176.35 176.20 2rcd s TYR 54 N 0.11 2.57 0.00 0.29 1.51 -1.26 -1.39 117.35 119.18 2rcd s TYR 54 Ca -0.12 -1.26 0.00 0.00 -1.01 0.00 0.00 57.07 54.68 2rcd s TYR 54 Cb -0.16 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 2rcd s TYR 54 CO 0.07 -0.57 0.00 0.41 -1.11 0.00 0.00 175.55 174.34 2rcd n GLY 55 N 4.01 -0.63 0.19 0.71 0.00 1.00 -4.30 105.19 106.16 2rcd n GLY 55 Ca -0.20 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 1.26 -0.05 -0.61 6.09 -1.63 -2.72 117.51 119.86 2rcd h ILE 56 Ca 0.00 -1.25 -0.01 0.00 -1.37 0.00 0.00 64.86 62.23 2rcd h ILE 56 Cb 0.00 1.67 -0.00 0.00 0.47 0.00 0.00 36.82 38.96 2rcd h ILE 56 CO 0.00 0.36 0.01 -0.08 -3.07 0.00 0.00 178.15 175.37 2rcd h GLU 57 N 0.01 0.08 -0.65 2.19 4.81 -1.87 0.14 114.58 119.29 2rcd h GLU 57 Ca -0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2rcd h GLU 57 Cb 0.65 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2rcd h GLU 57 CO 0.05 0.29 0.27 0.93 -0.73 0.00 0.00 179.01 179.82 2rcd h GLU 58 N -0.14 0.96 -0.73 1.92 5.08 -1.74 -1.95 114.58 118.00 2rcd h GLU 58 Ca 0.02 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2rcd h GLU 58 Cb 0.24 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2rcd h GLU 58 CO 0.00 0.80 0.48 0.82 -1.00 0.00 0.00 179.01 180.11 2rcd h ILE 59 N 0.91 1.15 -0.25 3.13 2.04 -1.26 -1.16 117.51 122.08 2rcd h ILE 59 Ca 0.22 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 2rcd h ILE 59 Cb 0.18 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2rcd h ILE 59 CO -0.02 0.17 -0.09 0.03 0.00 0.00 0.00 178.15 178.24 2rcd h ARG 60 N 0.93 0.50 -0.41 2.37 3.08 -0.55 -2.41 114.38 117.90 2rcd h ARG 60 Ca 0.28 -0.20 0.08 0.00 0.07 0.00 0.00 59.98 60.21 2rcd h ARG 60 Cb -0.03 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 29.92 2rcd h ARG 60 CO -0.07 0.74 -0.16 0.00 -1.07 0.00 0.00 179.97 179.41 2rcd h ALA 61 N 0.74 0.17 -0.47 0.04 0.00 -0.91 -2.34 119.26 116.48 2rcd h ALA 61 Ca 0.06 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2rcd h ALA 61 Cb 0.57 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2rcd h ALA 61 CO 0.03 -0.52 0.03 0.35 0.00 0.00 0.00 179.25 179.15 2rcd h PHE 62 N -0.08 0.03 -0.59 0.00 3.57 -1.05 -0.12 116.94 118.71 2rcd h PHE 62 Ca 0.20 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.78 2rcd h PHE 62 Cb 0.38 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 2rcd h PHE 62 CO -0.41 -0.07 0.33 0.00 -2.23 0.00 0.00 178.31 175.93 2rcd h ARG 63 N 0.15 0.61 0.00 1.11 2.47 -0.92 0.69 114.38 118.49 2rcd h ARG 63 Ca 0.24 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.81 2rcd h ARG 63 Cb 0.34 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2rcd h ARG 63 CO -0.37 0.40 -0.55 -0.07 0.56 0.00 0.00 179.97 179.94 2rcd h LEU 64 N 0.63 0.00 0.00 3.04 3.38 -1.12 -3.12 115.31 118.13 2rcd h LEU 64 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2rcd h LEU 64 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2rcd h LEU 64 CO -0.15 0.55 -0.16 0.00 0.09 0.00 0.00 178.44 178.77 2rcd h ALA 65 N 1.45 0.92 -2.75 1.53 0.00 -0.36 -3.46 119.26 116.58 2rcd h ALA 65 Ca -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2rcd h ALA 65 Cb 1.22 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.03 2rcd h ALA 65 CO 0.07 0.00 0.55 0.50 0.00 0.00 0.00 179.25 180.37 2rcd s ARG 66 N -3.23 4.52 0.39 0.00 3.52 0.18 -5.00 118.95 119.32 2rcd s ARG 66 Ca 0.06 1.92 -0.26 0.00 -0.13 0.00 0.00 55.73 57.32 2rcd s ARG 66 Cb 0.06 -3.19 -0.09 0.00 -1.56 0.00 0.00 34.95 30.17 2rcd s ARG 66 CO 0.69 -0.01 1.24 -2.14 -0.81 0.00 0.00 175.30 174.26 2rcd s PRO 67 N -0.89 4.05 0.06 5.12 0.02 -1.26 -4.97 135.00 137.14 2rcd s PRO 67 Ca 0.50 2.01 0.24 0.00 0.02 0.00 0.00 61.00 63.76 2rcd s PRO 67 Cb -0.34 -2.76 0.37 0.00 0.02 0.00 0.00 34.50 31.80 2rcd s PRO 67 CO 0.41 -0.37 1.32 -1.13 -0.33 0.00 0.00 177.00 176.89 2rcd n SER 68 N 0.18 0.60 -4.76 2.53 3.41 -1.26 -4.86 113.62 109.46 2rcd n SER 68 Ca 0.04 -0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 2rcd n SER 68 Cb 0.45 0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 2rcd n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rcd s ALA 69 N -3.11 3.52 -2.13 7.33 0.00 -1.26 -3.58 121.76 122.53 2rcd s ALA 69 Ca 0.08 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2rcd s ALA 69 Cb 0.15 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2rcd s ALA 69 CO 0.72 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2rcd n GLY 70 N 1.14 1.48 0.30 0.00 0.00 -1.26 -4.87 105.19 101.97 2rcd n GLY 70 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00-10.07 0.99 3.38 -1.85 -3.45 115.31 104.31 2rcd h LEU 71 Ca -0.44 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.01 2rcd h LEU 71 Cb 1.36 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.21 2rcd h LEU 71 CO 0.62 0.00 0.47 -0.62 0.09 0.00 0.00 178.44 179.00 2rcd s ASP 72 N -5.32 5.52 0.22 -0.43 2.15 -1.26 -4.62 116.67 112.93 2rcd s ASP 72 Ca -0.02 2.34 -0.19 0.00 0.43 0.00 0.00 52.55 55.11 2rcd s ASP 72 Cb 0.11 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2rcd s ASP 72 CO 0.46 -1.36 0.60 0.00 -0.17 0.00 0.00 175.17 174.69 2rcd s ARG 73 N -3.18 1.52 -0.14 4.34 1.70 -1.26 -4.85 118.95 117.08 2rcd s ARG 73 Ca 0.73 -0.89 -0.02 0.00 -0.47 0.00 0.00 55.73 55.08 2rcd s ARG 73 Cb -0.29 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.62 2rcd s ARG 73 CO 0.32 -0.67 -0.08 0.00 -1.08 0.00 0.00 175.30 173.80 2rcd s ALA 74 N -3.89 2.86 0.37 7.88 0.00 -0.89 -4.98 121.76 123.11 2rcd s ALA 74 Ca 0.10 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2rcd s ALA 74 Cb -0.03 -1.39 -0.06 0.00 0.00 0.00 0.00 23.12 21.64 2rcd s ALA 74 CO 0.00 0.27 0.70 -0.51 0.00 0.00 0.00 175.76 176.22 2rcd s LEU 75 N 0.23 3.90 -0.20 0.00 1.43 -1.26 -1.80 118.68 120.98 2rcd s LEU 75 Ca -0.05 0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 53.85 2rcd s LEU 75 Cb -0.14 -3.85 0.05 0.00 0.03 0.00 0.00 46.19 42.28 2rcd s LEU 75 CO 0.04 -0.34 0.53 -0.60 0.23 0.00 0.00 176.35 176.21 2rcd s ARG 76 N -3.78 0.62 -1.33 1.70 3.52 0.72 -4.94 118.95 115.45 2rcd s ARG 76 Ca 0.49 0.75 -0.04 0.00 -0.13 0.00 0.00 55.73 56.79 2rcd s ARG 76 Cb -0.10 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.59 2rcd s ARG 76 CO 0.31 -0.08 0.90 0.09 -0.81 0.00 0.00 175.30 175.72 2rcd n ASN 77 N 2.85 -2.82 -4.69 -2.12 3.02 -1.26 0.21 115.26 110.44 2rcd n ASN 77 Ca -0.14 -0.72 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 2rcd n ASN 77 Cb 0.56 -4.46 -0.03 0.00 -0.61 0.00 0.00 39.78 35.24 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 -3.47 4.86 -0.13 3.41 2.01 -1.26 -4.20 115.64 116.86 2rcd s THR 78 Ca 0.21 1.89 0.01 0.00 0.31 0.00 0.00 61.69 64.11 2rcd s THR 78 Cb -0.10 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.18 2rcd s THR 78 CO 0.78 0.09 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.97 2rcd s VAL 79 N 1.58 1.54 -0.15 3.82 1.01 -0.32 -5.01 120.40 122.87 2rcd s VAL 79 Ca 0.46 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2rcd s VAL 79 Cb -0.19 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2rcd s VAL 79 CO 0.20 0.45 -0.19 -0.63 0.00 0.00 0.00 175.10 174.93 2rcd s ILE 80 N 1.32 1.92 -0.05 2.22 1.01 -1.26 -1.04 121.20 125.31 2rcd s ILE 80 Ca 0.01 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2rcd s ILE 80 Cb -0.14 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.61 2rcd s ILE 80 CO -0.07 0.52 -0.11 -0.89 0.00 0.00 0.00 174.94 174.39 2rcd s THR 81 N 1.09 0.98 0.04 2.92 2.01 -0.47 -5.02 115.64 117.19 2rcd s THR 81 Ca -0.01 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2rcd s THR 81 Cb -0.14 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2rcd s THR 81 CO -0.07 0.31 0.04 0.42 -0.69 0.00 0.00 174.62 174.64 2rcd s THR 82 N 0.53 4.37 -0.20 -0.82 -4.23 -1.26 -1.01 115.64 113.02 2rcd s THR 82 Ca -0.10 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 2rcd s THR 82 Cb -0.13 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.70 2rcd s THR 82 CO 0.02 0.23 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.88 2rcd s TYR 83 N -1.26 2.71 0.00 3.99 2.02 -1.26 -1.34 117.35 122.22 2rcd s TYR 83 Ca 0.25 -1.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.22 2rcd s TYR 83 Cb -0.12 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 2rcd s TYR 83 CO 0.17 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 173.77 2rcd n GLY 84 N 4.61 1.72 0.84 0.71 0.00 0.10 -3.69 105.19 109.48 2rcd n GLY 84 Ca -0.17 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 5.40 0.03 -2.99 1.61 1.44 -1.26 -4.68 115.22 114.75 2rcd n HIS 85 Ca 0.00 -0.01 -0.14 0.00 -2.01 0.00 0.00 57.72 55.55 2rcd n HIS 85 Cb 0.00 -0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.13 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 1.17 -0.57 0.00 4.39 5.68 -1.24 -4.89 116.55 121.09 2rcd n ASP 86 Ca 0.12 -3.28 0.00 0.00 -0.50 0.00 0.00 54.79 51.13 2rcd n ASP 86 Cb 0.52 0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 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 0.41 0.00 -3.58 2.12 0.00 0.54 -1.39 120.51 118.61 2rcd n ALA 88 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 2rcd n ALA 88 Cb 0.67 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.00 1.54 -0.18 0.00 1.01 -0.18 -0.45 120.40 120.14 2rcd s VAL 89 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2rcd s VAL 89 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 2rcd s VAL 89 CO 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.45 2rcd s ALA 90 N 0.86 2.69 0.06 5.51 0.00 0.17 -1.37 121.76 129.67 2rcd s ALA 90 Ca -0.09 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.89 2rcd s ALA 90 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2rcd s ALA 90 CO 0.00 -0.14 -0.23 -1.12 0.00 0.00 0.00 175.76 174.27 2rcd s SER 91 N 0.99 2.78 -0.07 0.00 0.01 -0.21 0.04 113.70 117.25 2rcd s SER 91 Ca -0.01 -0.58 -0.31 0.00 1.31 0.00 0.00 55.95 56.37 2rcd s SER 91 Cb -0.15 -0.23 0.08 0.00 0.21 0.00 0.00 66.02 65.94 2rcd s SER 91 CO -0.01 0.19 0.75 0.28 0.41 0.00 0.00 173.24 174.86 2rcd s THR 92 N -0.85 0.00 0.28 1.44 -1.32 -0.10 -1.18 115.64 113.91 2rcd s THR 92 Ca 0.09 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.56 2rcd s THR 92 Cb -0.09 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 2rcd s THR 92 CO 0.02 0.00 0.49 -1.61 -2.21 0.00 0.00 174.62 171.31 2rcd s GLU 93 N -1.25 3.53 0.18 7.08 2.02 0.13 -0.71 118.70 129.68 2rcd s GLU 93 Ca -0.09 -0.29 -0.07 0.00 0.02 0.00 0.00 54.97 54.54 2rcd s GLU 93 Cb -0.00 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 2rcd s GLU 93 CO 0.07 0.26 0.27 -0.59 0.02 0.00 0.00 175.26 175.30 2rcd s PHE 94 N -2.10 0.58 0.14 1.61 -0.12 0.25 -0.20 117.98 118.15 2rcd s PHE 94 Ca 0.40 -0.92 -0.06 0.00 -0.05 0.00 0.00 56.93 56.30 2rcd s PHE 94 Cb -0.10 -0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 2rcd s PHE 94 CO 0.32 -0.74 0.19 0.95 -0.05 0.00 0.00 175.22 175.90 2rcd s THR 95 N -4.02 0.09 0.03 -4.49 -4.23 -0.74 -0.63 115.64 101.64 2rcd s THR 95 Ca 0.23 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2rcd s THR 95 Cb 0.04 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 2rcd s THR 95 CO 0.04 -0.40 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.48 2rcd s ARG 96 N -3.98 0.76 0.48 3.99 0.52 -1.26 -2.10 118.95 117.36 2rcd s ARG 96 Ca 0.18 -0.62 0.22 0.00 -0.52 0.00 0.00 55.73 54.99 2rcd s ARG 96 Cb 0.05 -0.71 1.26 0.00 0.52 0.00 0.00 34.95 36.06 2rcd s ARG 96 CO -0.01 0.18 1.93 1.79 0.02 0.00 0.00 175.30 179.21 2rcd h THR 97 N 4.63 0.71 0.62 0.02 1.35 -1.98 -2.92 112.91 115.33 2rcd h THR 97 Ca -0.35 -0.07 -0.03 0.00 -0.55 0.00 0.00 66.41 65.41 2rcd h THR 97 Cb 1.19 0.49 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2rcd h THR 97 CO 0.45 0.04 -0.30 1.23 -0.25 0.00 0.00 175.52 176.69 2rcd h GLY 98 N 0.19 -0.86 -1.15 5.82 0.00 -1.97 -3.47 103.07 101.63 2rcd h GLY 98 Ca 0.36 0.32 -0.49 0.00 0.00 0.00 0.00 47.33 47.52 2rcd h GLY 98 CO -0.07 -0.31 0.33 -0.56 0.00 0.00 0.00 176.54 175.93 2rcd s SER 99 N -4.60 4.53 -0.06 0.19 0.01 -1.11 -5.01 113.70 107.65 2rcd s SER 99 Ca -0.12 1.45 0.16 0.00 1.31 0.00 0.00 55.95 58.75 2rcd s SER 99 Cb 0.01 -2.21 -0.24 0.00 0.21 0.00 0.00 66.02 63.79 2rcd s SER 99 CO 0.36 -1.97 0.27 0.35 0.41 0.00 0.00 173.24 172.67 2rcd n THR 100 N -3.45 0.33 -2.07 1.44 -2.24 -1.26 -4.67 114.28 102.36 2rcd n THR 100 Ca 0.07 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 2rcd n THR 100 Cb 0.55 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 2rcd n THR 100 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2rcd s LYS 101 N -2.92 3.98 -0.18 -0.78 0.00 -1.26 -5.02 119.74 113.56 2rcd s LYS 101 Ca -0.07 2.14 -0.16 0.00 0.00 0.00 0.00 55.97 57.88 2rcd s LYS 101 Cb 0.09 -2.76 -0.04 0.00 0.00 0.00 0.00 37.83 35.12 2rcd s LYS 101 CO 0.68 -0.47 0.40 0.42 0.00 0.00 0.00 175.35 176.38 2rcd s ILE 102 N -1.27 5.21 0.03 3.79 -1.09 -1.26 -4.68 121.20 121.93 2rcd s ILE 102 Ca 0.57 0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 59.66 2rcd s ILE 102 Cb -0.38 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 2rcd s ILE 102 CO 0.48 0.28 0.27 -0.83 -1.23 0.00 0.00 174.94 173.92 2rcd s GLY 103 N 0.90 2.24 -0.01 6.18 0.00 0.19 -4.54 107.32 112.28 2rcd s GLY 103 Ca 0.20 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.35 2rcd s GLY 103 CO 0.08 -0.46 -0.13 0.50 0.00 0.00 0.00 173.10 173.08 2rcd s ARG 104 N -1.98 1.09 0.35 2.90 3.00 0.06 0.87 118.95 125.25 2rcd s ARG 104 Ca 0.30 -0.48 0.04 0.00 0.00 0.00 0.00 55.73 55.59 2rcd s ARG 104 Cb -0.13 -1.06 -0.03 0.00 0.00 0.00 0.00 34.95 33.73 2rcd s ARG 104 CO 0.19 0.29 0.17 -1.14 0.00 0.00 0.00 175.30 174.81 2rcd s GLN 105 N -0.32 1.76 0.00 3.54 0.74 0.11 -1.29 119.66 124.20 2rcd s GLN 105 Ca 0.05 -2.03 0.00 0.00 0.05 0.00 0.00 55.36 53.43 2rcd s GLN 105 Cb -0.05 -0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.84 2rcd s GLN 105 CO -0.01 -0.50 0.00 1.04 -0.55 0.00 0.00 175.29 175.28 2rcd n GLN 107 N -0.72 0.00 -3.90 1.67 6.02 0.11 -0.93 117.38 119.63 2rcd n GLN 107 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2rcd n GLN 107 Cb 0.64 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.76 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 -1.08 3.27 -0.10 5.09 2.01 -0.44 -0.66 115.64 123.73 2rcd s THR 108 Ca 0.00 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 2rcd s THR 108 Cb 0.00 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2rcd s THR 108 CO 0.00 0.28 0.06 0.26 -0.69 0.00 0.00 174.62 174.52 2rcd s TRP 109 N 1.42 3.33 -0.03 4.92 0.52 0.40 -0.98 118.94 128.53 2rcd s TRP 109 Ca 0.03 0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.50 2rcd s TRP 109 Cb -0.16 -1.86 -0.00 0.00 -1.15 0.00 0.00 33.47 30.30 2rcd s TRP 109 CO -0.03 0.56 -0.14 0.08 0.02 0.00 0.00 176.95 177.44 2rcd s VAL 110 N -0.87 1.15 0.51 4.03 1.01 -0.29 -0.34 120.40 125.59 2rcd s VAL 110 Ca 0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 2rcd s VAL 110 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2rcd s VAL 110 CO 0.03 0.34 0.86 -0.75 0.00 0.00 0.00 175.10 175.57 2rcd s LYS 111 N 0.00 3.62 0.19 2.72 2.20 -0.49 -1.34 119.74 126.65 2rcd s LYS 111 Ca -0.01 0.44 0.20 0.00 -0.36 0.00 0.00 55.97 56.23 2rcd s LYS 111 Cb -0.09 -2.29 -0.00 0.00 -1.51 0.00 0.00 37.83 33.94 2rcd s LYS 111 CO 0.01 -0.27 1.07 -1.35 -0.36 0.00 0.00 175.35 174.45 2rcd h PRO 113 N 0.31 0.00 0.00 4.03 0.11 -2.04 -3.48 132.00 130.93 2rcd h PRO 113 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2rcd h PRO 113 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2rcd h PRO 113 CO 0.62 0.15 -0.45 -0.85 -0.21 0.00 0.00 178.00 177.26 2rcd n GLU 114 N -2.85 0.11 0.00 1.05 0.00 -1.26 -5.04 120.64 112.65 2rcd n GLU 114 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.17 2rcd n GLU 114 Cb 0.66 -1.58 0.00 0.00 0.00 0.00 0.00 31.44 30.53 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 1.44 1.49 3.74 -1.84 0.00 -1.26 -5.07 105.19 103.68 2rcd n GLY 115 Ca 0.05 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.23 2.84 -0.00 1.61 0.52 -1.26 -4.63 118.94 116.79 2rcd s TRP 116 Ca 0.00 0.61 0.01 0.00 0.02 0.00 0.00 56.10 56.75 2rcd s TRP 116 Cb 0.00 -4.08 -0.00 0.00 -1.15 0.00 0.00 33.47 28.24 2rcd s TRP 116 CO 0.00 -3.83 -0.04 1.03 0.02 0.00 0.00 176.95 174.13 2rcd s ARG 117 N 0.25 0.35 -0.21 4.98 1.81 -0.45 -4.83 118.95 120.86 2rcd s ARG 117 Ca 0.68 -0.19 -0.27 0.00 -1.72 0.00 0.00 55.73 54.23 2rcd s ARG 117 Cb -0.48 -0.33 -0.00 0.00 -0.45 0.00 0.00 34.95 33.69 2rcd s ARG 117 CO 0.41 0.09 0.94 0.42 -0.68 0.00 0.00 175.30 176.48 2rcd s ILE 118 N -0.18 4.77 -0.11 1.52 1.01 0.28 -1.14 121.20 127.35 2rcd s ILE 118 Ca 0.01 1.84 0.22 0.00 0.00 0.00 0.00 60.65 62.72 2rcd s ILE 118 Cb -0.02 -4.23 -0.21 0.00 0.01 0.00 0.00 42.46 38.01 2rcd s ILE 118 CO -0.00 -0.10 0.69 1.33 0.00 0.00 0.00 174.94 176.86 2rcd n VAL 119 N 5.14 0.29 -3.65 2.92 0.24 -0.15 -0.99 118.33 122.13 2rcd n VAL 119 Ca 0.09 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 2rcd n VAL 119 Cb 0.47 -0.16 -0.08 0.00 -1.47 0.00 0.00 33.84 32.61 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 -3.42 -1.63 -0.01 2.33 0.00 -1.23 -2.83 121.76 114.97 2rcd s ALA 120 Ca -0.05 1.96 -0.04 0.00 0.00 0.00 0.00 51.96 53.84 2rcd s ALA 120 Cb 0.12 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 2rcd s ALA 120 CO 0.86 -0.32 0.08 0.00 0.00 0.00 0.00 175.76 176.38 2rcd s ALA 121 N 0.80 -0.18 -0.14 0.00 0.00 -0.23 -1.33 121.76 120.68 2rcd s ALA 121 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 2rcd s ALA 121 Cb -0.05 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2rcd s ALA 121 CO -0.06 -0.12 0.01 -1.58 0.00 0.00 0.00 175.76 174.01 2rcd s HIS 122 N -0.74 0.94 -0.07 0.00 5.65 -1.26 -1.17 115.29 118.65 2rcd s HIS 122 Ca -0.08 -0.58 0.03 0.00 0.25 0.00 0.00 55.06 54.68 2rcd s HIS 122 Cb -0.05 -0.96 -0.02 0.00 -1.18 0.00 0.00 32.58 30.37 2rcd s HIS 122 CO 0.00 -0.49 -0.15 0.08 -0.65 0.00 0.00 174.74 173.53 2rcd s VAL 123 N 1.88 2.96 0.21 0.89 1.01 0.16 -4.26 120.40 123.25 2rcd s VAL 123 Ca 0.02 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 2rcd s VAL 123 Cb -0.15 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.10 2rcd s VAL 123 CO -0.07 0.57 0.59 -0.94 0.00 0.00 0.00 175.10 175.25 2rcd s SER 124 N -0.41 -0.33 0.00 3.32 1.04 -0.41 -2.54 113.70 114.37 2rcd s SER 124 Ca 0.04 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2rcd s SER 124 Cb -0.12 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2rcd s SER 124 CO 0.02 -1.11 0.00 0.18 0.98 0.00 0.00 173.24 173.31 2rcd n LEU 125 N -0.38 0.00 0.00 2.42 4.77 -1.26 -0.76 117.00 121.79 2rcd n LEU 125 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2rcd n LEU 125 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2rcd n LEU 125 CO 0.16 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.02