#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 -0.43 0.52 0.99 1.43 -1.26 -5.05 118.68 114.88 2rcd s LEU 2 Ca 0.00 -0.04 0.26 0.00 -1.03 0.00 0.00 54.13 53.33 2rcd s LEU 2 Cb 0.00 2.26 1.39 0.00 0.03 0.00 0.00 46.19 49.86 2rcd s LEU 2 CO 0.00 -0.78 1.95 1.55 0.23 0.00 0.00 176.35 179.30 2rcd h PRO 3 N 2.00 0.05 0.00 1.29 0.13 -2.05 0.08 132.00 133.50 2rcd h PRO 3 Ca -0.26 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2rcd h PRO 3 Cb 1.27 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2rcd h PRO 3 CO 0.33 0.03 0.00 -0.44 -0.23 0.00 0.00 178.00 177.69 2rcd h ASP 4 N 0.05 0.00 0.50 1.44 3.32 -2.03 -3.06 116.42 116.64 2rcd h ASP 4 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2rcd h ASP 4 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2rcd h ASP 4 CO -0.02 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.97 2rcd n ASP 5 N -2.90 0.00 -4.73 6.45 8.00 0.02 -4.71 116.55 118.67 2rcd n ASP 5 Ca 0.02 -0.23 -0.38 0.00 0.71 0.00 0.00 54.79 54.91 2rcd n ASP 5 Cb 0.36 -0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.51 5.13 -1.18 2.53 1.01 -1.16 -0.17 120.40 124.04 2rcd s VAL 6 Ca 0.30 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 63.25 2rcd s VAL 6 Cb 0.20 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2rcd s VAL 6 CO 0.44 0.35 0.80 0.59 0.00 0.00 0.00 175.10 177.28 2rcd n ASN 7 N 3.44 -3.87 -4.73 3.32 3.02 -0.47 -4.95 115.26 111.02 2rcd n ASN 7 Ca -0.07 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.23 2rcd n ASN 7 Cb 0.52 -4.21 -0.03 0.00 -0.61 0.00 0.00 39.78 35.45 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 -5.54 4.39 0.20 3.52 1.11 -1.26 -4.92 119.66 117.17 2rcd s GLN 8 Ca 0.26 1.99 -0.18 0.00 0.01 0.00 0.00 55.36 57.44 2rcd s GLN 8 Cb -0.07 -3.24 0.18 0.00 -1.01 0.00 0.00 33.01 28.88 2rcd s GLN 8 CO 0.80 -0.27 1.60 0.00 0.01 0.00 0.00 175.29 177.42 2rcd h ALA 9 N 5.94 0.14 -0.46 6.09 0.00 -1.98 -2.06 119.26 126.94 2rcd h ALA 9 Ca -0.44 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2rcd h ALA 9 Cb 1.21 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 2rcd h ALA 9 CO 0.80 -0.58 0.27 -0.44 0.00 0.00 0.00 179.25 179.30 2rcd h ASP 10 N -0.10 0.55 -0.39 0.00 5.19 -2.00 -1.28 116.42 118.40 2rcd h ASP 10 Ca 0.27 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 2rcd h ASP 10 Cb 0.54 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 2rcd h ASP 10 CO -0.70 0.45 0.12 0.58 -3.12 0.00 0.00 179.24 176.57 2rcd h VAL 11 N 0.61 1.22 -0.31 -1.35 2.07 -1.82 -2.66 116.25 114.00 2rcd h VAL 11 Ca 0.16 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 2rcd h VAL 11 Cb 0.01 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2rcd h VAL 11 CO -0.03 0.25 -0.23 0.25 0.02 0.00 0.00 177.57 177.83 2rcd h LEU 12 N 0.48 0.60 -0.79 2.57 5.85 -1.31 -1.93 115.31 120.78 2rcd h LEU 12 Ca 0.12 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 2rcd h LEU 12 Cb 0.26 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2rcd h LEU 12 CO -0.00 0.82 0.30 0.00 -0.34 0.00 0.00 178.44 179.22 2rcd h ALA 13 N 1.23 1.03 0.21 1.25 0.00 -1.07 -0.93 119.26 120.97 2rcd h ALA 13 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2rcd h ALA 13 Cb 0.68 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2rcd h ALA 13 CO 0.05 0.67 -0.10 -0.44 0.00 0.00 0.00 179.25 179.43 2rcd h ASP 14 N 1.15 -0.24 -0.98 0.00 3.32 -1.25 -2.52 116.42 115.90 2rcd h ASP 14 Ca 0.26 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2rcd h ASP 14 Cb 0.23 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 2rcd h ASP 14 CO -0.02 0.16 0.62 0.58 -1.72 0.00 0.00 179.24 178.86 2rcd h VAL 15 N -0.68 1.26 -0.50 -1.35 2.07 -1.36 -1.38 116.25 114.32 2rcd h VAL 15 Ca -0.03 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2rcd h VAL 15 Cb 0.48 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2rcd h VAL 15 CO 0.05 0.26 0.28 0.74 0.02 0.00 0.00 177.57 178.92 2rcd h THR 16 N 1.33 1.17 -0.72 2.57 2.02 -1.20 0.24 112.91 118.32 2rcd h THR 16 Ca 0.35 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 2rcd h THR 16 Cb -0.11 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 2rcd h THR 16 CO -0.07 0.17 0.21 0.00 0.37 0.00 0.00 175.52 176.21 2rcd h ALA 17 N 1.12 1.01 -0.50 6.16 0.00 -1.11 -2.04 119.26 123.90 2rcd h ALA 17 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2rcd h ALA 17 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2rcd h ALA 17 CO -0.03 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.06 2rcd h ALA 18 N 1.15 0.65 -0.37 0.00 0.00 -0.76 -1.71 119.26 118.22 2rcd h ALA 18 Ca 0.23 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2rcd h ALA 18 Cb 0.32 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2rcd h ALA 18 CO -0.01 0.28 0.06 0.35 0.00 0.00 0.00 179.25 179.93 2rcd h PHE 19 N 0.67 0.10 0.00 0.00 3.57 -0.21 -1.66 116.94 119.41 2rcd h PHE 19 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2rcd h PHE 19 Cb 0.22 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2rcd h PHE 19 CO 0.01 -0.00 0.00 1.88 -2.23 0.00 0.00 178.31 177.97 2rcd h TYR 20 N 0.18 0.00 -0.17 0.41 0.05 -1.19 -1.51 116.97 114.73 2rcd h TYR 20 Ca 0.18 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.86 2rcd h TYR 20 Cb 0.22 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 2rcd h TYR 20 CO -0.20 0.00 -0.28 -0.09 -1.05 0.00 0.00 178.16 176.53 2rcd h ARG 21 N 0.00 0.50 -0.37 4.88 2.43 -0.80 -1.82 114.38 119.20 2rcd h ARG 21 Ca 0.00 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 58.88 2rcd h ARG 21 Cb 0.70 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2rcd h ARG 21 CO 0.00 0.90 0.22 -0.92 -1.51 0.00 0.00 179.97 178.66 2rcd h TYR 22 N 0.14 0.41 -0.71 2.20 3.20 -1.08 -0.76 116.97 120.38 2rcd h TYR 22 Ca 0.01 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.02 2rcd h TYR 22 Cb 0.86 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.92 2rcd h TYR 22 CO 0.09 0.24 0.29 1.49 -1.64 0.00 0.00 178.16 178.63 2rcd h GLU 23 N 0.45 0.45 -0.30 1.82 4.57 -1.24 0.48 114.58 120.80 2rcd h GLU 23 Ca 0.15 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2rcd h GLU 23 Cb 0.00 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2rcd h GLU 23 CO -0.07 0.29 0.15 -0.22 -1.18 0.00 0.00 179.01 177.98 2rcd h LYS 24 N 0.46 0.44 -0.58 1.92 3.64 -0.86 -2.26 116.57 119.33 2rcd h LYS 24 Ca 0.37 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 2rcd h LYS 24 Cb 0.51 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2rcd h LYS 24 CO -0.36 0.41 0.13 0.00 -2.27 0.00 0.00 179.45 177.36 2rcd h ALA 25 N 1.00 1.14 -0.47 5.00 0.00 0.35 -1.83 119.26 124.46 2rcd h ALA 25 Ca 0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2rcd h ALA 25 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2rcd h ALA 25 CO -0.01 0.58 -0.19 1.25 0.00 0.00 0.00 179.25 180.88 2rcd h LEU 26 N 0.86 0.97 0.00 0.00 5.85 0.00 0.21 115.31 123.20 2rcd h LEU 26 Ca 0.18 -0.39 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 2rcd h LEU 26 Cb 0.33 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2rcd h LEU 26 CO 0.00 1.14 -0.53 0.71 -0.34 0.00 0.00 178.44 179.43 2rcd h THR 27 N 0.80 0.85 -0.02 1.05 1.35 -1.26 -3.11 112.91 112.55 2rcd h THR 27 Ca 0.11 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 2rcd h THR 27 Cb 0.76 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 2rcd h THR 27 CO 0.06 0.48 -0.11 0.61 -0.25 0.00 0.00 175.52 176.31 2rcd n GLY 28 N 1.23 0.56 3.53 5.82 0.00 -0.70 -4.32 105.19 111.31 2rcd n GLY 28 Ca 0.02 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 0.78 -2.59 -4.45 1.61 5.15 0.31 -4.89 115.26 111.18 2rcd n ASN 29 Ca 0.14 -0.74 -0.44 0.00 -0.60 0.00 0.00 54.58 52.93 2rcd n ASN 29 Cb 0.52 -4.58 -0.00 0.00 -0.53 0.00 0.00 39.78 35.19 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 -4.16 7.06 0.37 1.20 -1.08 0.46 -4.84 116.67 115.70 2rcd s ASP 30 Ca 0.10 -2.98 0.08 0.00 -0.52 0.00 0.00 52.55 49.23 2rcd s ASP 30 Cb -0.02 -2.38 0.81 0.00 -1.46 0.00 0.00 42.92 39.88 2rcd s ASP 30 CO 0.77 -0.72 1.94 0.58 0.52 0.00 0.00 175.17 178.27 2rcd h VAL 31 N 4.64 0.96 -0.57 1.11 2.07 -1.90 0.91 116.25 123.47 2rcd h VAL 31 Ca 0.28 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2rcd h VAL 31 Cb 0.89 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2rcd h VAL 31 CO 1.20 0.12 0.32 0.00 0.02 0.00 0.00 177.57 179.23 2rcd h ALA 32 N 1.62 0.73 -0.08 1.67 0.00 -1.98 -0.47 119.26 120.75 2rcd h ALA 32 Ca 0.33 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 2rcd h ALA 32 Cb 0.41 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rcd h ALA 32 CO -0.12 0.24 -0.53 0.28 0.00 0.00 0.00 179.25 179.12 2rcd h VAL 33 N 0.77 1.38 -0.82 0.00 2.07 -1.72 -1.72 116.25 116.21 2rcd h VAL 33 Ca 0.20 -1.89 0.17 0.00 0.82 0.00 0.00 66.70 66.01 2rcd h VAL 33 Cb 0.04 2.28 -0.11 0.00 -1.52 0.00 0.00 31.29 31.98 2rcd h VAL 33 CO -0.03 0.56 0.33 -0.07 0.02 0.00 0.00 177.57 178.38 2rcd h LEU 34 N 0.08 0.29 -0.23 2.57 3.38 -0.69 0.18 115.31 120.89 2rcd h LEU 34 Ca -0.04 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2rcd h LEU 34 Cb 1.19 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2rcd h LEU 34 CO 0.11 0.06 -0.23 -0.78 0.09 0.00 0.00 178.44 177.69 2rcd h ASP 35 N 0.43 0.61 -0.57 -0.43 3.58 -1.05 -2.96 116.42 116.02 2rcd h ASP 35 Ca 0.48 -0.48 0.10 0.00 0.42 0.00 0.00 57.03 57.54 2rcd h ASP 35 Cb 0.80 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.61 2rcd h ASP 35 CO -0.46 0.96 0.16 -0.08 -2.88 0.00 0.00 179.24 176.94 2rcd h GLU 36 N 0.26 0.31 0.00 0.28 4.81 -0.34 -2.82 114.58 117.08 2rcd h GLU 36 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2rcd h GLU 36 Cb 0.79 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2rcd h GLU 36 CO 0.06 0.20 0.00 -0.07 -0.73 0.00 0.00 179.01 178.47 2rcd h LEU 37 N 0.32 0.00 -9.97 1.64 3.38 -0.99 -3.44 115.31 106.25 2rcd h LEU 37 Ca 0.29 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.76 2rcd h LEU 37 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2rcd h LEU 37 CO -0.34 0.00 0.09 -0.36 0.09 0.00 0.00 178.44 177.93 2rcd s PHE 38 N -3.43 3.45 0.11 1.13 0.40 -1.06 -0.92 117.98 117.66 2rcd s PHE 38 Ca 0.04 1.25 -0.31 0.00 -0.60 0.00 0.00 56.93 57.32 2rcd s PHE 38 Cb 0.08 -2.55 -0.08 0.00 0.51 0.00 0.00 43.02 40.98 2rcd s PHE 38 CO 0.58 0.17 1.38 -0.46 0.70 0.00 0.00 175.22 177.59 2rcd s TRP 39 N -1.85 3.24 -1.01 0.36 -0.00 -0.26 -4.81 118.94 114.61 2rcd s TRP 39 Ca 0.51 0.96 -0.19 0.00 -0.00 0.00 0.00 56.10 57.37 2rcd s TRP 39 Cb -0.12 -3.67 0.11 0.00 -0.00 0.00 0.00 33.47 29.78 2rcd s TRP 39 CO 0.18 -2.35 1.30 -1.58 -0.00 0.00 0.00 176.95 174.51 2rcd s HIS 40 N 1.14 2.95 0.12 5.86 5.65 -1.26 -4.68 115.29 125.07 2rcd s HIS 40 Ca 0.64 -1.31 -0.25 0.00 0.25 0.00 0.00 55.06 54.39 2rcd s HIS 40 Cb -0.36 -4.45 0.07 0.00 -1.18 0.00 0.00 32.58 26.66 2rcd s HIS 40 CO 0.30 -1.64 0.64 0.34 -0.65 0.00 0.00 174.74 173.73 2rcd s ASP 41 N 4.01 -0.56 0.36 9.88 -1.08 -1.26 -5.02 116.67 123.00 2rcd s ASP 41 Ca 0.39 0.08 0.11 0.00 -0.52 0.00 0.00 52.55 52.62 2rcd s ASP 41 Cb -0.02 0.57 0.67 0.00 -1.46 0.00 0.00 42.92 42.68 2rcd s ASP 41 CO -0.07 -0.89 1.81 1.05 0.52 0.00 0.00 175.17 177.58 2rcd h GLU 42 N 2.11 0.06 0.00 4.34 9.09 -1.94 -2.17 114.58 126.08 2rcd h GLU 42 Ca -0.32 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.07 2rcd h GLU 42 Cb 1.28 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2rcd h GLU 42 CO 0.37 0.42 0.00 1.63 0.05 0.00 0.00 179.01 181.48 2rcd n LYS 43 N -4.09 0.18 -1.83 1.06 5.02 -1.26 -2.81 118.16 114.43 2rcd n LYS 43 Ca -0.02 0.32 -0.40 0.00 -2.02 0.00 0.00 58.31 56.18 2rcd n LYS 43 Cb 0.41 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -3.20 2.13 -0.06 -0.18 2.01 -1.15 -4.73 115.64 110.46 2rcd s THR 44 Ca 0.07 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2rcd s THR 44 Cb 0.11 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.56 2rcd s THR 44 CO 0.45 0.02 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.64 2rcd s VAL 45 N -1.16 0.77 -0.16 3.82 1.01 -1.20 0.63 120.40 124.12 2rcd s VAL 45 Ca 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2rcd s VAL 45 Cb -0.45 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.20 2rcd s VAL 45 CO 0.59 0.28 -0.10 -0.60 0.00 0.00 0.00 175.10 175.28 2rcd s ARG 46 N 0.96 1.87 -0.33 2.72 3.52 -0.19 -1.13 118.95 126.37 2rcd s ARG 46 Ca -0.10 -0.55 -0.11 0.00 -0.13 0.00 0.00 55.73 54.84 2rcd s ARG 46 Cb -0.15 -2.05 -0.01 0.00 -1.56 0.00 0.00 34.95 31.19 2rcd s ARG 46 CO 0.00 -0.33 0.19 0.71 -0.81 0.00 0.00 175.30 175.05 2rcd s TYR 47 N 1.55 3.20 0.50 5.12 2.02 -0.08 -0.04 117.35 129.62 2rcd s TYR 47 Ca 0.03 -0.49 0.07 0.00 -0.37 0.00 0.00 57.07 56.31 2rcd s TYR 47 Cb -0.14 -2.40 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 2rcd s TYR 47 CO -0.09 -0.44 0.43 0.20 -1.57 0.00 0.00 175.55 174.08 2rcd s GLY 48 N 1.64 2.22 0.30 0.71 0.00 0.14 0.90 107.32 113.23 2rcd s GLY 48 Ca 0.05 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.20 2rcd s GLY 48 CO 0.08 -1.84 1.65 0.00 0.00 0.00 0.00 173.10 172.99 2rcd h ALA 49 N 0.80 1.35 0.00 3.20 0.00 -1.86 -3.08 119.26 119.68 2rcd h ALA 49 Ca -0.38 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2rcd h ALA 49 Cb 1.29 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 2rcd h ALA 49 CO 0.56 -0.49 -0.40 0.41 0.00 0.00 0.00 179.25 179.33 2rcd n GLY 50 N -1.37 2.63 3.41 0.00 0.00 -1.26 -4.85 105.19 103.75 2rcd n GLY 50 Ca 0.23 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.38 1.03 -0.33 1.61 1.03 -1.17 -5.13 118.70 114.38 2rcd s GLU 51 Ca 0.20 -0.16 0.02 0.00 0.03 0.00 0.00 54.97 55.06 2rcd s GLU 51 Cb 0.19 0.47 0.08 0.00 -0.80 0.00 0.00 34.13 34.08 2rcd s GLU 51 CO -0.02 -0.36 0.03 -0.80 -1.33 0.00 0.00 175.26 172.78 2rcd s ASN 52 N -1.84 4.80 -0.21 0.83 0.01 -1.26 -0.68 114.94 116.59 2rcd s ASN 52 Ca -0.06 -1.80 -0.07 0.00 -0.71 0.00 0.00 52.86 50.22 2rcd s ASN 52 Cb -0.01 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 39.96 2rcd s ASN 52 CO 0.00 -0.34 0.05 -0.76 -1.51 0.00 0.00 177.10 174.54 2rcd s LEU 53 N 1.05 3.55 -0.33 0.60 1.43 0.94 -5.01 118.68 120.91 2rcd s LEU 53 Ca 0.03 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2rcd s LEU 53 Cb -0.20 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 44.18 2rcd s LEU 53 CO -0.05 0.07 0.05 -0.31 0.23 0.00 0.00 176.35 176.34 2rcd s TYR 54 N 0.97 3.44 0.00 0.29 2.02 -1.26 -1.03 117.35 121.79 2rcd s TYR 54 Ca 0.03 -2.28 0.00 0.00 -0.37 0.00 0.00 57.07 54.46 2rcd s TYR 54 Cb -0.14 -2.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.88 2rcd s TYR 54 CO 0.03 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.53 2rcd n GLY 55 N 4.53 2.50 0.23 0.71 0.00 0.20 -4.55 105.19 108.81 2rcd n GLY 55 Ca -0.07 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.23 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 0.91 -0.07 -0.61 6.09 -1.63 -2.12 117.51 120.09 2rcd h ILE 56 Ca 0.00 -0.73 -0.02 0.00 -1.37 0.00 0.00 64.86 62.74 2rcd h ILE 56 Cb 0.00 1.42 -0.00 0.00 0.47 0.00 0.00 36.82 38.71 2rcd h ILE 56 CO 0.00 0.19 -0.04 -0.08 -3.07 0.00 0.00 178.15 175.15 2rcd h GLU 57 N 0.00 0.14 -0.94 2.19 4.81 -1.87 -0.38 114.58 118.53 2rcd h GLU 57 Ca -0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2rcd h GLU 57 Cb 0.41 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 2rcd h GLU 57 CO 0.03 0.54 0.62 0.93 -0.73 0.00 0.00 179.01 180.40 2rcd h GLU 58 N -0.26 1.24 -0.67 1.92 5.08 -1.77 -2.17 114.58 117.95 2rcd h GLU 58 Ca 0.01 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2rcd h GLU 58 Cb 0.50 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2rcd h GLU 58 CO 0.01 0.82 0.17 0.82 -1.00 0.00 0.00 179.01 179.83 2rcd h ILE 59 N 1.28 1.25 -0.54 3.13 2.04 -1.19 -2.51 117.51 120.98 2rcd h ILE 59 Ca 0.34 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 2rcd h ILE 59 Cb -0.15 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 2rcd h ILE 59 CO -0.07 0.36 0.06 0.03 0.00 0.00 0.00 178.15 178.52 2rcd h ARG 60 N 1.01 0.91 -0.66 2.37 3.08 -0.68 -2.21 114.38 118.19 2rcd h ARG 60 Ca 0.21 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 60.06 2rcd h ARG 60 Cb 0.34 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 2rcd h ARG 60 CO -0.00 0.90 0.37 0.00 -1.07 0.00 0.00 179.97 180.17 2rcd h ALA 61 N 0.98 0.88 -0.84 0.04 0.00 -1.26 -2.24 119.26 116.82 2rcd h ALA 61 Ca 0.16 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2rcd h ALA 61 Cb 0.45 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2rcd h ALA 61 CO 0.02 0.06 0.55 0.35 0.00 0.00 0.00 179.25 180.23 2rcd h PHE 62 N 0.69 1.04 -0.72 0.00 3.57 -1.10 -1.34 116.94 119.08 2rcd h PHE 62 Ca 0.29 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 2rcd h PHE 62 Cb 0.16 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 2rcd h PHE 62 CO -0.08 0.63 0.35 0.00 -2.23 0.00 0.00 178.31 176.99 2rcd h ARG 63 N 1.11 1.02 0.00 1.11 2.47 -0.82 -1.18 114.38 118.09 2rcd h ARG 63 Ca 0.32 -0.14 -0.15 0.00 -1.26 0.00 0.00 59.98 58.76 2rcd h ARG 63 Cb -0.08 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.03 2rcd h ARG 63 CO -0.09 0.78 -0.77 -0.07 0.56 0.00 0.00 179.97 180.38 2rcd h LEU 64 N 1.02 0.00 0.00 3.04 3.38 -1.08 -3.21 115.31 118.45 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 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2rcd h LEU 64 CO -0.03 0.66 -0.22 0.00 0.09 0.00 0.00 178.44 178.94 2rcd h ALA 65 N 1.34 0.87 -2.78 1.53 0.00 -0.94 -3.47 119.26 115.81 2rcd h ALA 65 Ca -0.03 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.36 2rcd h ALA 65 Cb 1.53 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.36 2rcd h ALA 65 CO 0.08 0.00 0.59 0.50 0.00 0.00 0.00 179.25 180.42 2rcd s ARG 66 N -3.16 4.46 0.24 0.00 3.52 -0.47 -4.98 118.95 118.55 2rcd s ARG 66 Ca 0.08 2.02 -0.31 0.00 -0.13 0.00 0.00 55.73 57.39 2rcd s ARG 66 Cb 0.10 -3.16 -0.11 0.00 -1.56 0.00 0.00 34.95 30.22 2rcd s ARG 66 CO 0.66 -0.08 1.62 -2.14 -0.81 0.00 0.00 175.30 174.54 2rcd s PRO 67 N -1.04 4.15 0.04 5.12 0.02 -1.26 -4.93 135.00 137.10 2rcd s PRO 67 Ca 0.50 2.53 0.26 0.00 0.02 0.00 0.00 61.00 64.31 2rcd s PRO 67 Cb -0.36 -3.07 0.64 0.00 0.02 0.00 0.00 34.50 31.74 2rcd s PRO 67 CO 0.44 -0.65 1.52 -1.13 -0.33 0.00 0.00 177.00 176.85 2rcd n SER 68 N 3.06 0.46 -4.76 2.53 3.41 -1.26 -4.81 113.62 112.25 2rcd n SER 68 Ca 0.11 0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.38 2rcd n SER 68 Cb 0.37 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 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 -3.05 3.40 -0.19 7.33 0.00 -1.26 -3.97 121.76 124.03 2rcd s ALA 69 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2rcd s ALA 69 Cb 0.16 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2rcd s ALA 69 CO 0.66 0.19 0.00 0.41 0.00 0.00 0.00 175.76 177.03 2rcd n GLY 70 N 1.88 0.52 0.30 0.00 0.00 -1.26 -4.92 105.19 101.71 2rcd n GLY 70 Ca -0.04 -0.34 0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -9.99 0.99 3.38 -1.86 -3.45 115.31 104.39 2rcd h LEU 71 Ca -0.04 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 2rcd h LEU 71 Cb 0.24 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.08 2rcd h LEU 71 CO 0.05 0.01 0.58 -0.62 0.09 0.00 0.00 178.44 178.55 2rcd s ASP 72 N -5.56 6.03 0.24 -0.43 2.15 -1.26 -4.63 116.67 113.21 2rcd s ASP 72 Ca -0.01 2.59 -0.15 0.00 0.43 0.00 0.00 52.55 55.40 2rcd s ASP 72 Cb 0.11 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2rcd s ASP 72 CO 0.51 -1.04 0.53 0.00 -0.17 0.00 0.00 175.17 175.00 2rcd s ARG 73 N -2.52 1.55 -0.11 4.34 1.70 -1.26 -4.77 118.95 117.89 2rcd s ARG 73 Ca 0.62 -1.12 0.01 0.00 -0.47 0.00 0.00 55.73 54.77 2rcd s ARG 73 Cb -0.36 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.51 2rcd s ARG 73 CO 0.45 -0.66 -0.12 0.00 -1.08 0.00 0.00 175.30 173.89 2rcd s ALA 74 N -3.97 2.71 0.32 7.88 0.00 -0.73 -4.99 121.76 122.97 2rcd s ALA 74 Ca 0.17 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 2rcd s ALA 74 Cb -0.02 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2rcd s ALA 74 CO 0.06 0.36 0.55 -0.51 0.00 0.00 0.00 175.76 176.22 2rcd s LEU 75 N -0.04 4.03 -0.20 0.00 1.43 -1.26 -2.09 118.68 120.55 2rcd s LEU 75 Ca -0.02 0.57 -0.21 0.00 -1.03 0.00 0.00 54.13 53.44 2rcd s LEU 75 Cb -0.14 -3.42 0.06 0.00 0.03 0.00 0.00 46.19 42.72 2rcd s LEU 75 CO 0.04 -0.25 0.58 -0.60 0.23 0.00 0.00 176.35 176.34 2rcd s ARG 76 N -3.96 0.71 -1.45 1.70 3.52 -0.41 -4.94 118.95 114.11 2rcd s ARG 76 Ca 0.42 0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 56.69 2rcd s ARG 76 Cb -0.10 0.34 0.04 0.00 -1.56 0.00 0.00 34.95 33.67 2rcd s ARG 76 CO 0.34 -0.10 0.64 0.09 -0.81 0.00 0.00 175.30 175.45 2rcd n ASN 77 N 2.56 -1.72 -4.70 -2.12 3.02 -1.26 -0.45 115.26 110.59 2rcd n ASN 77 Ca -0.14 -0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 53.06 2rcd n ASN 77 Cb 0.56 -3.39 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 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 -3.68 4.66 -0.11 3.41 2.01 -1.26 -4.28 115.64 116.39 2rcd s THR 78 Ca 0.23 1.91 0.01 0.00 0.31 0.00 0.00 61.69 64.16 2rcd s THR 78 Cb -0.12 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.18 2rcd s THR 78 CO 0.87 0.10 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.06 2rcd s VAL 79 N 1.37 1.48 -0.18 3.82 1.01 0.57 -4.99 120.40 123.46 2rcd s VAL 79 Ca 0.53 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2rcd s VAL 79 Cb -0.22 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.83 2rcd s VAL 79 CO 0.25 0.44 -0.16 -0.63 0.00 0.00 0.00 175.10 175.00 2rcd s ILE 80 N 1.09 1.85 -0.07 2.22 1.01 -1.26 -0.34 121.20 125.70 2rcd s ILE 80 Ca -0.04 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2rcd s ILE 80 Cb -0.14 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.58 2rcd s ILE 80 CO -0.03 0.40 -0.14 -0.89 0.00 0.00 0.00 174.94 174.27 2rcd s THR 81 N 1.35 1.32 0.07 2.92 2.01 -0.55 -4.99 115.64 117.77 2rcd s THR 81 Ca 0.03 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.47 2rcd s THR 81 Cb -0.14 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2rcd s THR 81 CO -0.11 0.40 0.07 0.42 -0.69 0.00 0.00 174.62 174.70 2rcd s THR 82 N 0.62 4.48 -0.22 -0.82 -4.23 -1.26 -0.64 115.64 113.57 2rcd s THR 82 Ca -0.15 -0.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 2rcd s THR 82 Cb -0.16 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.60 2rcd s THR 82 CO 0.04 0.16 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.90 2rcd s TYR 83 N -1.34 2.44 0.00 3.99 2.02 -1.26 -1.36 117.35 121.84 2rcd s TYR 83 Ca 0.28 -1.70 0.00 0.00 -0.37 0.00 0.00 57.07 55.28 2rcd s TYR 83 Cb -0.12 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2rcd s TYR 83 CO 0.20 -0.76 0.00 0.41 -1.57 0.00 0.00 175.55 173.83 2rcd n GLY 84 N 4.67 1.16 0.86 0.71 0.00 0.76 -3.62 105.19 109.72 2rcd n GLY 84 Ca -0.13 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 2.99 0.00 -3.05 1.61 1.44 -1.26 -4.70 115.22 112.25 2rcd n HIS 85 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 2rcd n HIS 85 Cb 0.00 -0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.11 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 1.06 -0.06 0.00 4.39 5.68 -1.24 -4.89 116.55 121.49 2rcd n ASP 86 Ca 0.14 -3.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.23 2rcd n ASP 86 Cb 0.56 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 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 0.29 0.00 -3.68 2.12 0.00 0.61 -1.69 120.51 118.16 2rcd n ALA 88 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 2rcd n ALA 88 Cb 0.67 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.96 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 0.96 -0.17 0.00 1.01 0.19 -0.68 120.40 119.71 2rcd s VAL 89 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2rcd s VAL 89 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2rcd s VAL 89 CO 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 175.10 175.35 2rcd s ALA 90 N 1.20 2.74 0.01 5.51 0.00 0.05 -1.48 121.76 129.79 2rcd s ALA 90 Ca -0.05 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2rcd s ALA 90 Cb -0.14 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2rcd s ALA 90 CO -0.02 -0.01 -0.12 -1.12 0.00 0.00 0.00 175.76 174.49 2rcd s SER 91 N 0.77 1.39 0.09 0.00 0.01 0.54 -0.39 113.70 116.11 2rcd s SER 91 Ca -0.03 -0.31 -0.22 0.00 1.31 0.00 0.00 55.95 56.69 2rcd s SER 91 Cb -0.15 -0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.02 2rcd s SER 91 CO 0.01 0.08 0.54 0.28 0.41 0.00 0.00 173.24 174.56 2rcd s THR 92 N -0.54 0.02 0.34 1.44 -1.32 -0.12 -0.32 115.64 115.14 2rcd s THR 92 Ca 0.02 -0.20 0.07 0.00 -1.21 0.00 0.00 61.69 60.38 2rcd s THR 92 Cb -0.06 -1.02 -0.02 0.00 -1.51 0.00 0.00 72.50 69.89 2rcd s THR 92 CO 0.00 -0.11 0.38 -1.61 -2.21 0.00 0.00 174.62 171.07 2rcd s GLU 93 N -3.06 2.92 0.14 7.08 2.02 0.41 -0.78 118.70 127.43 2rcd s GLU 93 Ca -0.02 -1.16 -0.20 0.00 0.02 0.00 0.00 54.97 53.62 2rcd s GLU 93 Cb -0.00 -2.65 0.05 0.00 0.10 0.00 0.00 34.13 31.63 2rcd s GLU 93 CO -0.07 0.08 0.51 -0.59 0.02 0.00 0.00 175.26 175.21 2rcd s PHE 94 N -2.24 -0.38 0.05 1.61 -0.12 -0.09 -1.29 117.98 115.53 2rcd s PHE 94 Ca 0.43 0.11 -0.00 0.00 -0.05 0.00 0.00 56.93 57.42 2rcd s PHE 94 Cb -0.08 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 2rcd s PHE 94 CO 0.29 -0.78 -0.04 0.95 -0.05 0.00 0.00 175.22 175.59 2rcd s THR 95 N -3.78 0.30 0.12 -4.49 -4.23 -0.89 -0.16 115.64 102.51 2rcd s THR 95 Ca 0.02 -1.67 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2rcd s THR 95 Cb 0.00 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2rcd s THR 95 CO -0.12 -0.88 -0.18 -0.13 -0.54 0.00 0.00 174.62 172.77 2rcd s ARG 96 N -3.45 1.10 0.24 3.99 0.52 -1.26 -1.78 118.95 118.32 2rcd s ARG 96 Ca 0.04 -1.21 -0.08 0.00 -0.52 0.00 0.00 55.73 53.96 2rcd s ARG 96 Cb 0.04 -1.21 0.42 0.00 0.52 0.00 0.00 34.95 34.72 2rcd s ARG 96 CO -0.07 0.26 1.63 1.15 0.02 0.00 0.00 175.30 178.29 2rcd h THR 97 N 3.80 0.31 0.01 0.02 2.02 -1.97 -3.06 112.91 114.04 2rcd h THR 97 Ca -0.43 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 2rcd h THR 97 Cb 1.19 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2rcd h THR 97 CO 0.44 0.01 -0.21 1.23 0.37 0.00 0.00 175.52 177.36 2rcd h GLY 98 N 0.07 0.13 -1.30 2.16 0.00 -1.98 -3.47 103.07 98.69 2rcd h GLY 98 Ca 0.41 -0.26 -0.51 0.00 0.00 0.00 0.00 47.33 46.96 2rcd h GLY 98 CO -0.70 0.23 0.34 -0.45 0.00 0.00 0.00 176.54 175.96 2rcd s SER 99 N -6.31 4.90 -0.04 0.19 0.15 -1.16 -5.00 113.70 106.43 2rcd s SER 99 Ca -0.17 1.68 0.15 0.00 0.70 0.00 0.00 55.95 58.31 2rcd s SER 99 Cb -0.00 -2.46 -0.23 0.00 -1.71 0.00 0.00 66.02 61.61 2rcd s SER 99 CO 0.73 -1.76 0.29 0.41 1.20 0.00 0.00 173.24 174.11 2rcd n THR 100 N -3.34 0.17 -2.38 6.45 -1.04 -1.26 -4.64 114.28 108.24 2rcd n THR 100 Ca 0.08 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.05 61.36 2rcd n THR 100 Cb 0.54 0.01 -0.02 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 -2.95 3.72 -0.24 -2.82 3.01 -1.26 -5.05 119.74 114.15 2rcd s LYS 101 Ca -0.06 1.20 -0.10 0.00 -1.01 0.00 0.00 55.97 56.00 2rcd s LYS 101 Cb 0.09 -2.09 -0.05 0.00 -1.01 0.00 0.00 37.83 34.77 2rcd s LYS 101 CO 0.64 -0.48 0.15 0.42 0.51 0.00 0.00 175.35 176.58 2rcd s ILE 102 N -2.30 5.23 0.26 2.17 -1.09 -1.26 -4.70 121.20 119.52 2rcd s ILE 102 Ca 0.64 0.14 -0.06 0.00 -2.23 0.00 0.00 60.65 59.14 2rcd s ILE 102 Cb -0.14 -3.44 -0.06 0.00 -1.58 0.00 0.00 42.46 37.25 2rcd s ILE 102 CO 0.27 0.35 0.53 -0.83 -1.23 0.00 0.00 174.94 174.03 2rcd s GLY 103 N 1.04 1.97 -0.02 6.18 0.00 0.77 -4.45 107.32 112.83 2rcd s GLY 103 Ca 0.07 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.29 2rcd s GLY 103 CO 0.04 -0.41 -0.07 0.50 0.00 0.00 0.00 173.10 173.17 2rcd s ARG 104 N -3.31 0.68 0.43 2.90 3.00 0.09 -0.91 118.95 121.83 2rcd s ARG 104 Ca 0.44 -0.23 0.04 0.00 0.00 0.00 0.00 55.73 55.98 2rcd s ARG 104 Cb -0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 34.95 34.16 2rcd s ARG 104 CO 0.28 0.10 0.13 -1.14 0.00 0.00 0.00 175.30 174.67 2rcd s GLN 105 N 0.10 1.99 0.00 3.54 0.74 0.04 -1.54 119.66 124.54 2rcd s GLN 105 Ca -0.01 -2.23 0.00 0.00 0.05 0.00 0.00 55.36 53.17 2rcd s GLN 105 Cb -0.06 -0.65 0.00 0.00 1.10 0.00 0.00 33.01 33.40 2rcd s GLN 105 CO -0.00 -0.51 0.00 1.04 -0.55 0.00 0.00 175.29 175.27 2rcd n GLN 107 N -0.97 0.00 -3.77 1.67 6.02 0.48 -0.95 117.38 119.86 2rcd n GLN 107 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.55 2rcd n GLN 107 Cb 0.65 0.00 -0.13 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 -0.73 4.03 -0.13 5.09 2.01 -0.40 -0.77 115.64 124.74 2rcd s THR 108 Ca 0.00 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 2rcd s THR 108 Cb 0.00 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2rcd s THR 108 CO 0.00 0.22 0.03 0.26 -0.69 0.00 0.00 174.62 174.44 2rcd s TRP 109 N 1.54 3.21 -0.05 4.92 0.52 0.14 -1.18 118.94 128.04 2rcd s TRP 109 Ca 0.04 0.10 0.05 0.00 0.02 0.00 0.00 56.10 56.32 2rcd s TRP 109 Cb -0.16 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.23 2rcd s TRP 109 CO 0.02 0.30 -0.21 0.08 0.02 0.00 0.00 176.95 177.16 2rcd s VAL 110 N -0.28 1.76 0.51 4.03 1.01 0.19 -0.29 120.40 127.34 2rcd s VAL 110 Ca 0.07 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2rcd s VAL 110 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2rcd s VAL 110 CO 0.02 0.50 0.85 -0.75 0.00 0.00 0.00 175.10 175.72 2rcd s LYS 111 N -0.12 3.61 -0.01 2.72 2.20 -0.68 -0.60 119.74 126.85 2rcd s LYS 111 Ca -0.02 0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 55.89 2rcd s LYS 111 Cb -0.12 -2.29 -0.32 0.00 -1.51 0.00 0.00 37.83 33.59 2rcd s LYS 111 CO 0.03 -0.28 0.82 -1.35 -0.36 0.00 0.00 175.35 174.21 2rcd h PRO 113 N 0.26 0.41 0.00 4.03 0.11 -2.04 -3.48 132.00 131.29 2rcd h PRO 113 Ca -0.46 -0.69 0.00 0.00 0.11 0.00 0.00 66.00 64.95 2rcd h PRO 113 Cb 1.20 0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.57 2rcd h PRO 113 CO 0.62 1.31 0.00 1.05 -0.21 0.00 0.00 178.00 180.77 2rcd h GLU 114 N 0.11 0.00 0.00 1.05 9.09 -2.03 -3.49 114.58 119.31 2rcd h GLU 114 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 2rcd h GLU 114 Cb 2.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.20 2rcd h GLU 114 CO 0.21 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.68 2rcd n GLY 115 N 0.40 1.01 3.71 1.06 0.00 -1.26 -5.07 105.19 105.04 2rcd n GLY 115 Ca 0.03 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 2rcd n GLY 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rcd n TRP 116 N -0.73 2.66 -3.83 1.61 7.02 -1.26 -4.56 117.44 118.35 2rcd n TRP 116 Ca 0.00 0.15 -0.13 0.00 -1.02 0.00 0.00 57.50 56.50 2rcd n TRP 116 Cb 0.00 -2.62 -0.15 0.00 -2.42 0.00 0.00 31.31 26.12 2rcd n TRP 116 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rcd s ARG 117 N 0.66 -0.01 -0.27 -0.99 1.81 0.23 -4.86 118.95 115.51 2rcd s ARG 117 Ca 0.73 0.08 -0.29 0.00 -1.72 0.00 0.00 55.73 54.53 2rcd s ARG 117 Cb -0.54 -0.09 -0.00 0.00 -0.45 0.00 0.00 34.95 33.86 2rcd s ARG 117 CO 0.38 -0.07 1.31 0.42 -0.68 0.00 0.00 175.30 176.66 2rcd s ILE 118 N 0.42 4.14 -0.17 1.52 1.01 -0.09 -0.64 121.20 127.39 2rcd s ILE 118 Ca -0.03 1.31 0.22 0.00 0.00 0.00 0.00 60.65 62.15 2rcd s ILE 118 Cb -0.05 -4.10 -0.13 0.00 0.01 0.00 0.00 42.46 38.19 2rcd s ILE 118 CO -0.01 -0.40 0.84 1.33 0.00 0.00 0.00 174.94 176.69 2rcd n VAL 119 N 6.06 0.38 -3.65 2.92 0.24 -0.33 -1.10 118.33 122.85 2rcd n VAL 119 Ca 0.15 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 2rcd n VAL 119 Cb 0.46 -0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.66 0.00 2.33 0.00 -1.23 -3.21 121.76 114.57 2rcd s ALA 120 Ca -0.03 2.06 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2rcd s ALA 120 Cb 0.11 -1.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.02 2rcd s ALA 120 CO 0.83 -0.33 -0.01 0.00 0.00 0.00 0.00 175.76 176.25 2rcd s ALA 121 N 1.03 0.06 -0.07 0.00 0.00 -0.28 -1.27 121.76 121.22 2rcd s ALA 121 Ca -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 2rcd s ALA 121 Cb -0.05 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.12 2rcd s ALA 121 CO -0.10 -0.03 -0.01 -1.58 0.00 0.00 0.00 175.76 174.05 2rcd s HIS 122 N -0.35 0.69 0.01 0.00 2.46 -1.25 -0.90 115.29 115.95 2rcd s HIS 122 Ca -0.04 -0.18 0.08 0.00 0.47 0.00 0.00 55.06 55.39 2rcd s HIS 122 Cb -0.02 -0.78 -0.02 0.00 -0.13 0.00 0.00 32.58 31.62 2rcd s HIS 122 CO -0.00 -0.31 -0.23 0.08 -2.47 0.00 0.00 174.74 171.81 2rcd s VAL 123 N 1.78 1.87 0.06 0.89 1.01 0.26 -4.28 120.40 121.98 2rcd s VAL 123 Ca 0.02 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 2rcd s VAL 123 Cb -0.13 -1.57 0.09 0.00 0.00 0.00 0.00 36.38 34.77 2rcd s VAL 123 CO -0.04 0.42 0.88 -0.94 0.00 0.00 0.00 175.10 175.42 2rcd s SER 124 N -0.83 -0.32 0.00 3.32 1.04 -0.59 -2.41 113.70 113.90 2rcd s SER 124 Ca 0.09 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2rcd s SER 124 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2rcd s SER 124 CO 0.00 -0.74 0.00 0.18 0.98 0.00 0.00 173.24 173.66 2rcd n LEU 125 N -0.33 0.00 0.00 2.42 4.77 -1.26 -0.73 117.00 121.87 2rcd n LEU 125 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 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 0.12 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.64