#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0r n GLY 2 N 0.00 2.64 3.73 7.41 0.00 -0.58 -4.67 105.19 113.72 1n0r n GLY 2 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1n0r n GLY 2 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n0r s ARG 3 N -2.00 4.28 0.37 1.61 3.52 -1.26 -4.15 118.95 121.32 1n0r s ARG 3 Ca 0.00 2.22 0.08 0.00 -0.13 0.00 0.00 55.73 57.90 1n0r s ARG 3 Cb 0.00 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1n0r s ARG 3 CO 0.00 -0.46 0.22 0.95 -0.81 0.00 0.00 175.30 175.20 1n0r s THR 4 N 0.70 2.92 0.49 4.11 -4.23 -1.26 -5.00 115.64 113.37 1n0r s THR 4 Ca 0.64 -1.56 0.21 0.00 -1.18 0.00 0.00 61.69 59.79 1n0r s THR 4 Cb -0.40 -3.02 0.37 0.00 1.34 0.00 0.00 72.50 70.79 1n0r s THR 4 CO 0.35 -0.11 1.97 -0.65 -0.54 0.00 0.00 174.62 175.64 1n0r h PRO 5 N 1.36 0.17 -0.16 3.99 0.11 -2.00 -1.17 132.00 134.31 1n0r h PRO 5 Ca -0.43 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 1n0r h PRO 5 Cb 1.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1n0r h PRO 5 CO 0.62 0.12 -0.37 1.25 -0.21 0.00 0.00 178.00 179.40 1n0r h LEU 6 N 0.18 0.35 -0.57 2.35 5.85 -1.95 -0.91 115.31 120.61 1n0r h LEU 6 Ca 0.29 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1n0r h LEU 6 Cb 0.89 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1n0r h LEU 6 CO -0.05 0.70 0.29 0.45 -0.34 0.00 0.00 178.44 179.49 1n0r h HIS 7 N 0.29 0.81 -0.17 1.25 3.86 -1.60 -0.80 115.15 118.78 1n0r h HIS 7 Ca 0.03 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1n0r h HIS 7 Cb 0.79 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1n0r h HIS 7 CO 0.02 0.61 0.03 1.25 0.86 0.00 0.00 177.93 180.71 1n0r h LEU 8 N 0.77 0.26 -1.00 2.43 5.85 -1.23 0.17 115.31 122.56 1n0r h LEU 8 Ca 0.20 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1n0r h LEU 8 Cb 0.10 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1n0r h LEU 8 CO -0.03 0.44 0.51 0.00 -0.34 0.00 0.00 178.44 179.02 1n0r h ALA 9 N 0.83 1.25 -0.42 1.25 0.00 -1.12 -1.75 119.26 119.30 1n0r h ALA 9 Ca 0.05 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1n0r h ALA 9 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n0r h ALA 9 CO 0.00 0.63 -0.31 0.00 0.00 0.00 0.00 179.25 179.58 1n0r h ALA 10 N 1.34 0.61 -0.41 0.00 0.00 -0.94 -0.38 119.26 119.48 1n0r h ALA 10 Ca 0.31 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1n0r h ALA 10 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1n0r h ALA 10 CO -0.06 0.66 0.04 -0.09 0.00 0.00 0.00 179.25 179.81 1n0r h ARG 11 N 0.79 0.64 -0.01 0.00 1.12 -0.58 -2.73 114.38 113.61 1n0r h ARG 11 Ca 0.08 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1n0r h ARG 11 Cb 0.90 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.76 1n0r h ARG 11 CO 0.08 0.63 -0.20 0.09 -3.11 0.00 0.00 179.97 177.46 1n0r n ASN 12 N -4.28 1.55 -0.88 -3.80 5.03 -0.69 -4.85 115.26 107.35 1n0r n ASN 12 Ca 0.02 -1.29 -0.08 0.00 0.87 0.00 0.00 54.58 54.11 1n0r n ASN 12 Cb 0.24 0.15 -0.00 0.00 -1.02 0.00 0.00 39.78 39.14 1n0r n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n0r n GLY 13 N 1.31 0.06 3.51 7.41 0.00 -0.67 -4.91 105.19 111.90 1n0r n GLY 13 Ca 0.14 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1n0r n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n0r s HIS 14 N -2.38 3.15 0.23 1.61 3.76 -0.24 -4.86 115.29 116.56 1n0r s HIS 14 Ca 0.00 -1.78 -0.07 0.00 -0.15 0.00 0.00 55.06 53.06 1n0r s HIS 14 Cb 0.00 -4.49 0.40 0.00 1.11 0.00 0.00 32.58 29.61 1n0r s HIS 14 CO 0.00 -1.59 1.70 1.25 -0.85 0.00 0.00 174.74 175.25 1n0r h LEU 15 N 10.97 0.05 -0.70 0.89 5.85 -1.91 -0.81 115.31 129.66 1n0r h LEU 15 Ca 0.33 0.13 -0.13 0.00 0.84 0.00 0.00 57.88 59.05 1n0r h LEU 15 Cb 0.90 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1n0r h LEU 15 CO 1.31 0.00 -0.40 -0.33 -0.34 0.00 0.00 178.44 178.69 1n0r h GLU 16 N 0.29 0.54 -0.31 1.25 4.39 -1.98 -1.03 114.58 117.74 1n0r h GLU 16 Ca 0.38 -0.27 -0.17 0.00 0.34 0.00 0.00 59.36 59.64 1n0r h GLU 16 Cb 0.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1n0r h GLU 16 CO -0.46 0.85 -0.47 0.28 -1.16 0.00 0.00 179.01 178.05 1n0r h VAL 17 N 0.45 1.28 -0.41 3.13 2.07 -1.80 -1.01 116.25 119.96 1n0r h VAL 17 Ca 0.04 -1.65 0.06 0.00 0.82 0.00 0.00 66.70 65.97 1n0r h VAL 17 Cb 0.89 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1n0r h VAL 17 CO 0.08 0.54 0.09 0.58 0.02 0.00 0.00 177.57 178.88 1n0r h VAL 18 N 0.65 0.79 -0.38 2.57 2.07 -1.01 0.40 116.25 121.35 1n0r h VAL 18 Ca 0.03 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1n0r h VAL 18 Cb 1.07 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1n0r h VAL 18 CO 0.11 0.04 0.23 0.50 0.02 0.00 0.00 177.57 178.47 1n0r h LYS 19 N 0.22 0.52 -0.53 1.57 3.64 -1.02 -0.73 116.57 120.24 1n0r h LYS 19 Ca 0.20 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1n0r h LYS 19 Cb 0.24 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1n0r h LYS 19 CO -0.25 0.39 0.01 -0.07 -2.27 0.00 0.00 179.45 177.25 1n0r h LEU 20 N 0.50 0.91 -0.79 5.20 3.38 -0.86 -0.70 115.31 122.96 1n0r h LEU 20 Ca 0.14 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1n0r h LEU 20 Cb 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1n0r h LEU 20 CO -0.03 0.99 0.32 -0.07 0.09 0.00 0.00 178.44 179.75 1n0r h LEU 21 N 0.81 1.09 -0.26 1.67 3.38 -0.68 -0.53 115.31 120.78 1n0r h LEU 21 Ca 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1n0r h LEU 21 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1n0r h LEU 21 CO 0.03 0.96 0.02 -0.07 0.09 0.00 0.00 178.44 179.46 1n0r h LEU 22 N 1.15 0.44 -0.87 1.67 3.38 -0.75 -1.12 115.31 119.21 1n0r h LEU 22 Ca 0.26 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1n0r h LEU 22 Cb 0.21 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1n0r h LEU 22 CO -0.02 0.62 0.54 -0.33 0.09 0.00 0.00 178.44 179.33 1n0r h GLU 23 N 0.24 0.93 0.00 1.13 5.08 -0.95 -1.05 114.58 119.96 1n0r h GLU 23 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1n0r h GLU 23 Cb 0.38 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1n0r h GLU 23 CO 0.01 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 1n0r h ALA 24 N 1.43 1.00 0.00 3.43 0.00 -0.79 -3.46 119.26 120.87 1n0r h ALA 24 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1n0r h ALA 24 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n0r h ALA 24 CO -0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1n0r n GLY 25 N -0.45 1.23 3.67 0.00 0.00 -0.40 -5.08 105.19 104.16 1n0r n GLY 25 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1n0r n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0r n ALA 26 N -1.46 0.84 -2.21 4.61 0.00 -0.46 -4.89 120.51 116.94 1n0r n ALA 26 Ca 0.00 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 1n0r n ALA 26 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 1n0r n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n0r s ASP 27 N -0.87 6.19 0.55 0.00 -1.08 -1.26 -4.81 116.67 115.39 1n0r s ASP 27 Ca 0.68 1.06 0.32 0.00 -0.52 0.00 0.00 52.55 54.10 1n0r s ASP 27 Cb -0.47 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.02 1n0r s ASP 27 CO 0.52 -1.51 2.08 1.62 0.52 0.00 0.00 175.17 178.40 1n0r h VAL 28 N 6.56 0.30 -0.34 1.11 3.04 -1.90 -2.58 116.25 122.44 1n0r h VAL 28 Ca -0.30 -0.49 -0.02 0.00 -1.01 0.00 0.00 66.70 64.88 1n0r h VAL 28 Cb 1.13 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 1n0r h VAL 28 CO 1.06 0.07 0.01 0.59 -1.01 0.00 0.00 177.57 178.29 1n0r n ASN 29 N -3.35 4.12 -4.74 3.17 3.02 -1.26 -4.27 115.26 111.95 1n0r n ASN 29 Ca -0.01 -3.07 -0.41 0.00 -0.03 0.00 0.00 54.58 51.06 1n0r n ASN 29 Cb 0.24 -0.58 0.01 0.00 -0.61 0.00 0.00 39.78 38.84 1n0r n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0r n ALA 30 N -0.37 1.79 -2.75 5.41 0.00 -0.98 -4.86 120.51 118.75 1n0r n ALA 30 Ca 0.24 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.63 1n0r n ALA 30 Cb 0.98 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.99 1n0r n ALA 30 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n0r s LYS 31 N -2.19 3.23 0.51 0.00 1.02 -1.26 -4.05 119.74 117.01 1n0r s LYS 31 Ca 0.58 -0.40 -0.06 0.00 0.02 0.00 0.00 55.97 56.12 1n0r s LYS 31 Cb -0.49 -2.89 0.11 0.00 -0.52 0.00 0.00 37.83 34.04 1n0r s LYS 31 CO 0.60 0.59 0.70 -0.40 -0.92 0.00 0.00 175.35 175.92 1n0r n ASP 32 N 2.50 0.36 0.12 2.83 5.68 -0.06 -1.52 116.55 126.46 1n0r n ASP 32 Ca -0.18 -1.44 0.10 0.00 -0.50 0.00 0.00 54.79 52.77 1n0r n ASP 32 Cb 0.53 -0.50 0.46 0.00 -1.14 0.00 0.00 41.12 40.47 1n0r n ASP 32 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1n0r n LYS 33 N -2.41 0.14 -0.22 0.11 2.85 -1.26 -1.21 118.16 116.15 1n0r n LYS 33 Ca 0.10 0.49 0.12 0.00 -1.05 0.00 0.00 58.31 57.97 1n0r n LYS 33 Cb 0.34 -1.83 0.24 0.00 -0.65 0.00 0.00 35.03 33.13 1n0r n LYS 33 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1n0r n ASN 34 N -2.10 3.51 0.00 -5.58 3.02 -1.26 -4.95 115.26 107.90 1n0r n ASN 34 Ca 0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1n0r n ASN 34 Cb 0.13 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1n0r n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0r n GLY 35 N 1.53 0.55 3.79 7.41 0.00 -0.35 -1.43 105.19 116.69 1n0r n GLY 35 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1n0r n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0r s ARG 36 N -0.02 4.30 0.55 1.61 3.00 -1.26 -3.98 118.95 123.15 1n0r s ARG 36 Ca 0.00 0.80 -0.02 0.00 0.00 0.00 0.00 55.73 56.51 1n0r s ARG 36 Cb 0.00 -3.29 0.02 0.00 0.00 0.00 0.00 34.95 31.68 1n0r s ARG 36 CO 0.00 0.51 0.81 0.95 0.00 0.00 0.00 175.30 177.57 1n0r s THR 37 N -0.71 3.22 0.38 0.02 -4.23 -1.26 -0.88 115.64 112.20 1n0r s THR 37 Ca 0.31 -0.40 0.13 0.00 -1.18 0.00 0.00 61.69 60.54 1n0r s THR 37 Cb -0.19 -3.24 0.35 0.00 1.34 0.00 0.00 72.50 70.75 1n0r s THR 37 CO 0.19 -0.20 1.86 -0.65 -0.54 0.00 0.00 174.62 175.28 1n0r h PRO 38 N 0.01 0.54 -0.80 3.99 0.11 -1.74 -1.30 132.00 132.80 1n0r h PRO 38 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1n0r h PRO 38 Cb 1.28 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1n0r h PRO 38 CO 0.57 0.36 0.38 1.25 -0.21 0.00 0.00 178.00 180.34 1n0r h LEU 39 N 0.56 1.05 -0.65 2.35 5.85 -1.94 -0.69 115.31 121.83 1n0r h LEU 39 Ca 0.45 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 59.10 1n0r h LEU 39 Cb 0.91 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1n0r h LEU 39 CO -0.20 0.89 0.36 0.45 -0.34 0.00 0.00 178.44 179.61 1n0r h HIS 40 N 1.15 0.66 -0.37 1.25 3.86 -1.61 -0.54 115.15 119.55 1n0r h HIS 40 Ca 0.28 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.37 1n0r h HIS 40 Cb 0.13 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1n0r h HIS 40 CO 0.01 0.31 -0.31 -0.07 0.86 0.00 0.00 177.93 178.73 1n0r h LEU 41 N 0.66 0.91 -0.58 2.43 3.38 -1.15 -0.33 115.31 120.63 1n0r h LEU 41 Ca 0.29 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1n0r h LEU 41 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1n0r h LEU 41 CO -0.18 1.17 0.09 0.00 0.09 0.00 0.00 178.44 179.61 1n0r h ALA 42 N 0.76 0.77 -0.51 1.53 0.00 -1.01 -2.21 119.26 118.59 1n0r h ALA 42 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1n0r h ALA 42 Cb 0.90 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1n0r h ALA 42 CO 0.08 0.52 0.11 0.00 0.00 0.00 0.00 179.25 179.97 1n0r h ALA 43 N 1.01 0.67 -0.89 0.00 0.00 -1.01 -0.95 119.26 118.09 1n0r h ALA 43 Ca 0.18 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1n0r h ALA 43 Cb 0.42 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1n0r h ALA 43 CO 0.01 0.38 0.58 -0.09 0.00 0.00 0.00 179.25 180.14 1n0r h ARG 44 N 0.71 1.14 -0.06 0.00 2.43 -0.93 -2.74 114.38 114.93 1n0r h ARG 44 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1n0r h ARG 44 Cb 0.35 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1n0r h ARG 44 CO 0.00 0.76 0.00 0.09 -1.51 0.00 0.00 179.97 179.31 1n0r n ASN 45 N -4.49 1.80 -0.97 -3.80 4.13 -0.84 -4.81 115.26 106.28 1n0r n ASN 45 Ca 0.10 -1.62 -0.06 0.00 1.68 0.00 0.00 54.58 54.68 1n0r n ASN 45 Cb 0.04 -0.03 0.01 0.00 -1.54 0.00 0.00 39.78 38.26 1n0r n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n0r n GLY 46 N 1.20 0.40 3.38 7.41 0.00 -0.62 -4.98 105.19 111.98 1n0r n GLY 46 Ca 0.18 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 1n0r n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n0r s HIS 47 N -2.72 3.75 0.16 1.61 3.76 -0.46 -4.89 115.29 116.50 1n0r s HIS 47 Ca 0.08 -2.10 -0.16 0.00 -0.15 0.00 0.00 55.06 52.73 1n0r s HIS 47 Cb -0.04 -3.99 0.09 0.00 1.11 0.00 0.00 32.58 29.75 1n0r s HIS 47 CO 0.10 -1.14 1.74 1.25 -0.85 0.00 0.00 174.74 175.84 1n0r h LEU 48 N 8.27 0.07 -0.49 0.89 5.85 -1.94 0.26 115.31 128.22 1n0r h LEU 48 Ca 0.17 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.84 1n0r h LEU 48 Cb 0.96 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1n0r h LEU 48 CO 0.97 0.07 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.94 1n0r h GLU 49 N 0.24 0.96 -0.67 1.25 4.57 -1.99 -1.14 114.58 117.80 1n0r h GLU 49 Ca 0.18 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 57.94 1n0r h GLU 49 Cb 0.19 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 1n0r h GLU 49 CO -0.21 1.04 0.21 0.28 -1.18 0.00 0.00 179.01 179.14 1n0r h VAL 50 N 0.81 1.25 -0.46 0.32 2.07 -1.85 -0.88 116.25 117.51 1n0r h VAL 50 Ca 0.12 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1n0r h VAL 50 Cb 0.69 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1n0r h VAL 50 CO 0.05 0.33 0.18 0.58 0.02 0.00 0.00 177.57 178.73 1n0r h VAL 51 N 0.97 0.88 -0.68 2.57 2.07 -0.54 0.26 116.25 121.78 1n0r h VAL 51 Ca 0.22 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1n0r h VAL 51 Cb 0.29 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1n0r h VAL 51 CO -0.01 0.07 0.37 0.07 0.02 0.00 0.00 177.57 178.09 1n0r h LYS 52 N 0.36 0.95 -0.43 1.57 2.10 -0.79 -1.03 116.57 119.30 1n0r h LYS 52 Ca 0.21 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 1n0r h LYS 52 Cb 0.19 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 1n0r h LYS 52 CO -0.20 0.71 0.19 -0.07 -2.00 0.00 0.00 179.45 178.08 1n0r h LEU 53 N 0.93 0.57 -0.67 7.07 3.38 -0.64 -0.29 115.31 125.66 1n0r h LEU 53 Ca 0.24 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1n0r h LEU 53 Cb 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1n0r h LEU 53 CO -0.04 0.56 0.18 -0.07 0.09 0.00 0.00 178.44 179.16 1n0r h LEU 54 N 0.55 1.01 -0.62 1.67 3.38 -0.79 -1.17 115.31 119.33 1n0r h LEU 54 Ca 0.14 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1n0r h LEU 54 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1n0r h LEU 54 CO -0.02 0.97 0.25 -0.07 0.09 0.00 0.00 178.44 179.66 1n0r h LEU 55 N 0.99 0.86 -1.21 1.67 3.38 -0.96 -0.70 115.31 119.34 1n0r h LEU 55 Ca 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n0r h LEU 55 Cb 0.35 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1n0r h LEU 55 CO -0.00 0.80 0.43 -0.08 0.09 0.00 0.00 178.44 179.68 1n0r h GLU 56 N 0.87 0.97 -0.11 1.13 4.57 -0.79 -1.95 114.58 119.27 1n0r h GLU 56 Ca 0.21 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1n0r h GLU 56 Cb 0.21 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1n0r h GLU 56 CO -0.02 0.68 0.00 0.00 -1.18 0.00 0.00 179.01 178.49 1n0r n ALA 57 N -2.43 2.53 0.00 2.92 0.00 -0.47 -4.89 120.51 118.17 1n0r n ALA 57 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1n0r n ALA 57 Cb 0.07 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1n0r n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0r n GLY 58 N 0.85 1.10 3.77 0.00 0.00 -0.73 -4.90 105.19 105.28 1n0r n GLY 58 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1n0r n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0r n ALA 59 N -1.62 2.21 -2.52 4.61 0.00 -0.32 -4.90 120.51 117.97 1n0r n ALA 59 Ca 0.00 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1n0r n ALA 59 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 1n0r n ALA 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n0r s ASP 60 N -0.23 6.43 0.60 0.00 2.15 -1.26 -4.79 116.67 119.57 1n0r s ASP 60 Ca 0.55 0.35 0.36 0.00 0.43 0.00 0.00 52.55 54.24 1n0r s ASP 60 Cb -0.48 -2.55 1.92 0.00 -0.30 0.00 0.00 42.92 41.51 1n0r s ASP 60 CO 0.62 -1.44 2.22 1.62 -0.17 0.00 0.00 175.17 178.02 1n0r h VAL 61 N 6.27 0.26 -0.26 1.11 3.04 -1.91 -2.65 116.25 122.11 1n0r h VAL 61 Ca -0.25 -0.20 -0.05 0.00 -1.01 0.00 0.00 66.70 65.19 1n0r h VAL 61 Cb 1.07 1.16 -0.03 0.00 -2.01 0.00 0.00 31.29 31.48 1n0r h VAL 61 CO 1.15 0.03 -0.02 0.59 -1.01 0.00 0.00 177.57 178.32 1n0r n ASN 62 N -3.39 3.35 -4.70 3.17 3.02 -1.26 -4.32 115.26 111.13 1n0r n ASN 62 Ca -0.02 -3.22 -0.42 0.00 -0.03 0.00 0.00 54.58 50.88 1n0r n ASN 62 Cb 0.15 -0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1n0r n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0r n ALA 63 N -0.78 1.25 -2.77 5.41 0.00 -1.00 -4.86 120.51 117.76 1n0r n ALA 63 Ca 0.24 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.69 1n0r n ALA 63 Cb 0.91 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 1n0r n ALA 63 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n0r s LYS 64 N -1.92 3.07 0.00 0.00 1.02 -1.26 -4.00 119.74 116.65 1n0r s LYS 64 Ca 0.56 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.95 1n0r s LYS 64 Cb -0.56 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1n0r s LYS 64 CO 0.62 0.45 0.00 -0.40 -0.92 0.00 0.00 175.35 175.10 1n0r n ASP 65 N 2.85 0.00 0.02 2.83 5.68 -0.28 -4.86 116.55 122.79 1n0r n ASP 65 Ca -0.18 -0.99 0.09 0.00 -0.50 0.00 0.00 54.79 53.21 1n0r n ASP 65 Cb 0.53 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.88 1n0r n ASP 65 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1n0r n LYS 66 N -0.99 0.03 -0.25 0.11 5.02 -0.52 -0.57 118.16 121.00 1n0r n LYS 66 Ca 0.00 0.24 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 1n0r n LYS 66 Cb 0.00 -1.56 0.27 0.00 -0.02 0.00 0.00 35.03 33.72 1n0r n LYS 66 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n0r n ASN 67 N -1.63 3.22 -0.57 4.39 3.02 -1.26 -4.93 115.26 117.50 1n0r n ASN 67 Ca 0.04 -1.97 -0.07 0.00 -0.03 0.00 0.00 54.58 52.55 1n0r n ASN 67 Cb 0.20 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1n0r n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0r n GLY 68 N 1.47 0.93 3.83 7.41 0.00 0.27 -1.12 105.19 117.97 1n0r n GLY 68 Ca 0.20 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1n0r n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0r s ARG 69 N -2.37 3.90 0.52 1.61 0.52 -1.26 -4.02 118.95 117.85 1n0r s ARG 69 Ca 0.00 0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.59 1n0r s ARG 69 Cb 0.00 -3.23 0.03 0.00 0.52 0.00 0.00 34.95 32.27 1n0r s ARG 69 CO 0.00 0.67 0.73 0.95 0.02 0.00 0.00 175.30 177.67 1n0r s THR 70 N -0.97 2.82 0.32 0.02 -4.23 -1.26 -1.13 115.64 111.22 1n0r s THR 70 Ca 0.23 -0.72 0.05 0.00 -1.18 0.00 0.00 61.69 60.07 1n0r s THR 70 Cb -0.16 -3.03 0.30 0.00 1.34 0.00 0.00 72.50 70.95 1n0r s THR 70 CO 0.12 -0.02 1.87 -0.65 -0.54 0.00 0.00 174.62 175.40 1n0r h PRO 71 N 0.20 0.82 -0.80 3.99 0.11 -1.75 -1.31 132.00 133.26 1n0r h PRO 71 Ca -0.42 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1n0r h PRO 71 Cb 1.29 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1n0r h PRO 71 CO 0.51 0.54 0.52 1.25 -0.21 0.00 0.00 178.00 180.61 1n0r h LEU 72 N 0.85 0.93 -0.57 2.35 5.85 -1.94 -0.56 115.31 122.20 1n0r h LEU 72 Ca 0.45 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.23 1n0r h LEU 72 Cb 0.54 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1n0r h LEU 72 CO -0.21 0.68 0.18 0.45 -0.34 0.00 0.00 178.44 179.20 1n0r h HIS 73 N 1.08 0.31 -0.08 1.25 3.86 -1.62 0.00 115.15 119.96 1n0r h HIS 73 Ca 0.29 0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.33 1n0r h HIS 73 Cb -0.11 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1n0r h HIS 73 CO -0.01 0.06 -0.78 -0.07 0.86 0.00 0.00 177.93 177.98 1n0r h LEU 74 N 0.34 0.59 -0.76 2.43 3.38 -0.95 0.51 115.31 120.87 1n0r h LEU 74 Ca 0.29 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1n0r h LEU 74 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1n0r h LEU 74 CO -0.32 1.17 0.05 0.00 0.09 0.00 0.00 178.44 179.43 1n0r h ALA 75 N 0.82 0.96 -0.25 1.53 0.00 -0.94 -2.14 119.26 119.23 1n0r h ALA 75 Ca -0.05 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1n0r h ALA 75 Cb 1.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1n0r h ALA 75 CO 0.14 0.64 -0.15 0.00 0.00 0.00 0.00 179.25 179.88 1n0r h ALA 76 N 1.12 0.36 -0.53 0.00 0.00 -0.82 -0.99 119.26 118.40 1n0r h ALA 76 Ca 0.18 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1n0r h ALA 76 Cb 0.47 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1n0r h ALA 76 CO 0.02 0.25 0.36 -0.09 0.00 0.00 0.00 179.25 179.78 1n0r h ARG 77 N 0.26 0.45 -0.15 0.00 2.43 -0.74 -1.94 114.38 114.70 1n0r h ARG 77 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1n0r h ARG 77 Cb 0.67 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1n0r h ARG 77 CO 0.04 0.30 0.00 0.09 -1.51 0.00 0.00 179.97 178.89 1n0r n ASN 78 N -4.47 2.77 -0.64 -3.80 3.02 -0.82 -4.78 115.26 106.54 1n0r n ASN 78 Ca 0.07 -1.89 -0.06 0.00 -0.03 0.00 0.00 54.58 52.67 1n0r n ASN 78 Cb 0.26 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 1n0r n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0r n GLY 79 N 1.35 0.35 3.47 7.41 0.00 -0.66 -4.96 105.19 112.14 1n0r n GLY 79 Ca 0.17 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1n0r n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n0r s HIS 80 N -2.29 3.15 0.16 1.61 3.76 -0.47 -4.89 115.29 116.33 1n0r s HIS 80 Ca 0.00 -1.55 -0.17 0.00 -0.15 0.00 0.00 55.06 53.19 1n0r s HIS 80 Cb 0.00 -4.35 0.08 0.00 1.11 0.00 0.00 32.58 29.42 1n0r s HIS 80 CO 0.00 -1.52 1.68 1.25 -0.85 0.00 0.00 174.74 175.30 1n0r h LEU 81 N 10.52 -0.32 -0.55 0.89 5.85 -1.93 0.21 115.31 129.98 1n0r h LEU 81 Ca 0.21 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1n0r h LEU 81 Cb 0.98 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1n0r h LEU 81 CO 1.18 -0.11 0.35 -0.33 -0.34 0.00 0.00 178.44 179.19 1n0r h GLU 82 N 0.01 0.73 -0.54 1.25 4.39 -1.99 0.01 114.58 118.44 1n0r h GLU 82 Ca 0.18 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1n0r h GLU 82 Cb 0.27 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1n0r h GLU 82 CO -0.37 0.51 -0.07 0.28 -1.16 0.00 0.00 179.01 178.20 1n0r h VAL 83 N 0.74 1.27 -0.60 3.13 2.07 -1.83 -1.34 116.25 119.68 1n0r h VAL 83 Ca 0.20 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.54 1n0r h VAL 83 Cb -0.05 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1n0r h VAL 83 CO -0.04 0.43 0.37 0.58 0.02 0.00 0.00 177.57 178.92 1n0r h VAL 84 N 0.87 1.07 -0.25 2.57 2.07 -0.53 -0.08 116.25 121.96 1n0r h VAL 84 Ca 0.14 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1n0r h VAL 84 Cb 0.62 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1n0r h VAL 84 CO 0.04 0.13 0.16 0.11 0.02 0.00 0.00 177.57 178.03 1n0r h LYS 85 N 0.72 0.34 -0.50 1.57 1.57 -0.65 -1.78 116.57 117.85 1n0r h LYS 85 Ca 0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1n0r h LYS 85 Cb 0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1n0r h LYS 85 CO -0.10 0.25 0.29 1.25 -0.57 0.00 0.00 179.45 180.56 1n0r h LEU 86 N 0.33 0.61 -0.80 2.94 6.46 -0.92 -1.90 115.31 122.03 1n0r h LEU 86 Ca 0.09 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1n0r h LEU 86 Cb -0.01 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 1n0r h LEU 86 CO -0.02 0.50 0.52 -0.07 -0.62 0.00 0.00 178.44 178.75 1n0r h LEU 87 N 0.66 0.94 -0.65 2.25 3.38 -0.79 -0.06 115.31 121.04 1n0r h LEU 87 Ca 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1n0r h LEU 87 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1n0r h LEU 87 CO -0.03 0.70 0.27 -0.07 0.09 0.00 0.00 178.44 179.40 1n0r h LEU 88 N 1.09 0.89 -1.32 1.67 3.38 -1.09 0.05 115.31 119.99 1n0r h LEU 88 Ca 0.29 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1n0r h LEU 88 Cb -0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1n0r h LEU 88 CO -0.06 0.81 -0.33 -0.33 0.09 0.00 0.00 178.44 178.63 1n0r h GLU 89 N 0.92 0.00 -0.16 1.13 4.39 -0.88 -1.47 114.58 118.50 1n0r h GLU 89 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1n0r h GLU 89 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1n0r h GLU 89 CO -0.02 0.33 0.00 0.00 -1.16 0.00 0.00 179.01 178.16 1n0r n ALA 90 N -2.41 2.51 -0.25 3.43 0.00 -0.08 -4.89 120.51 118.82 1n0r n ALA 90 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1n0r n ALA 90 Cb 0.39 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1n0r n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0r n GLY 91 N 0.94 0.85 3.77 0.00 0.00 -0.55 -4.92 105.19 105.27 1n0r n GLY 91 Ca 0.12 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1n0r n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0r s ALA 92 N -2.00 3.32 -0.56 4.61 0.00 -0.05 -4.91 121.76 122.18 1n0r s ALA 92 Ca 0.00 1.50 -0.28 0.00 0.00 0.00 0.00 51.96 53.18 1n0r s ALA 92 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1n0r s ALA 92 CO 0.00 -1.17 1.45 0.34 0.00 0.00 0.00 175.76 176.38 1n0r s ASP 93 N -0.41 6.08 0.58 0.00 2.15 -1.26 -4.78 116.67 119.02 1n0r s ASP 93 Ca 0.59 0.32 0.27 0.00 0.43 0.00 0.00 52.55 54.17 1n0r s ASP 93 Cb -0.45 -2.54 1.72 0.00 -0.30 0.00 0.00 42.92 41.35 1n0r s ASP 93 CO 0.58 -1.74 2.23 1.62 -0.17 0.00 0.00 175.17 177.70 1n0r h VAL 94 N 6.41 0.61 -0.35 1.11 3.04 -1.95 -2.59 116.25 122.54 1n0r h VAL 94 Ca -0.27 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1n0r h VAL 94 Cb 1.10 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1n0r h VAL 94 CO 1.17 0.01 0.00 0.59 -1.01 0.00 0.00 177.57 178.33 1n0r n ASN 95 N -3.95 4.09 -4.74 3.17 5.03 -1.26 -4.34 115.26 113.26 1n0r n ASN 95 Ca -0.03 -2.82 -0.42 0.00 0.87 0.00 0.00 54.58 52.18 1n0r n ASN 95 Cb 0.09 -0.52 -0.02 0.00 -1.02 0.00 0.00 39.78 38.31 1n0r n ASN 95 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n0r s ALA 96 N -2.49 3.83 -0.16 5.41 0.00 -0.98 -4.90 121.76 122.48 1n0r s ALA 96 Ca 0.42 1.59 -0.05 0.00 0.00 0.00 0.00 51.96 53.92 1n0r s ALA 96 Cb 0.32 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1n0r s ALA 96 CO 0.12 -0.97 0.00 0.15 0.00 0.00 0.00 175.76 175.07 1n0r s LYS 97 N 0.19 3.70 0.00 0.00 1.02 -1.26 -3.92 119.74 119.46 1n0r s LYS 97 Ca 0.68 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1n0r s LYS 97 Cb -0.49 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1n0r s LYS 97 CO 0.41 0.32 0.00 -0.40 -0.92 0.00 0.00 175.35 174.76 1n0r n ASP 98 N 3.34 0.00 0.31 2.83 5.68 -0.24 -4.82 116.55 123.64 1n0r n ASP 98 Ca -0.17 -0.64 0.17 0.00 -0.50 0.00 0.00 54.79 53.65 1n0r n ASP 98 Cb 0.53 0.00 0.99 0.00 -1.14 0.00 0.00 41.12 41.49 1n0r n ASP 98 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1n0r h LYS 99 N 0.00 0.00 -0.66 0.11 2.10 -1.35 0.16 116.57 116.93 1n0r h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1n0r h LYS 99 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1n0r h LYS 99 CO 0.00 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 1n0r n ASN 100 N -3.59 3.79 -0.31 7.07 3.02 -1.26 -4.94 115.26 119.05 1n0r n ASN 100 Ca -0.03 -2.01 -0.04 0.00 -0.03 0.00 0.00 54.58 52.47 1n0r n ASN 100 Cb 0.10 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 1n0r n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0r n GLY 101 N 1.42 0.69 3.82 7.41 0.00 0.05 -5.02 105.19 113.55 1n0r n GLY 101 Ca 0.22 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1n0r n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0r s ARG 102 N -2.18 3.93 0.52 1.61 0.52 -1.26 -4.68 118.95 117.41 1n0r s ARG 102 Ca 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.51 1n0r s ARG 102 Cb 0.00 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 32.23 1n0r s ARG 102 CO 0.00 0.60 0.75 0.95 0.02 0.00 0.00 175.30 177.62 1n0r s THR 103 N -0.72 3.12 0.37 0.02 -4.23 -1.25 -1.08 115.64 111.87 1n0r s THR 103 Ca 0.22 -0.57 0.11 0.00 -1.18 0.00 0.00 61.69 60.26 1n0r s THR 103 Cb -0.15 -3.17 0.33 0.00 1.34 0.00 0.00 72.50 70.85 1n0r s THR 103 CO 0.10 -0.12 1.89 -0.65 -0.54 0.00 0.00 174.62 175.30 1n0r h PRO 104 N 0.15 0.60 -0.63 3.99 0.11 -1.76 -1.13 132.00 133.33 1n0r h PRO 104 Ca -0.44 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1n0r h PRO 104 Cb 1.28 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1n0r h PRO 104 CO 0.54 0.40 0.30 1.25 -0.21 0.00 0.00 178.00 180.28 1n0r h LEU 105 N 0.62 0.40 -0.84 2.35 5.85 -1.94 -1.42 115.31 120.33 1n0r h LEU 105 Ca 0.42 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 1n0r h LEU 105 Cb 0.73 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1n0r h LEU 105 CO -0.18 0.25 0.46 0.45 -0.34 0.00 0.00 178.44 179.08 1n0r h HIS 106 N 0.55 1.16 -0.12 1.25 3.86 -1.58 -0.98 115.15 119.28 1n0r h HIS 106 Ca 0.30 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.29 1n0r h HIS 106 Cb 0.28 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 1n0r h HIS 106 CO -0.12 0.81 -0.70 -0.07 0.86 0.00 0.00 177.93 178.71 1n0r h LEU 107 N 1.17 0.63 -0.53 2.43 3.38 -1.23 -1.37 115.31 119.79 1n0r h LEU 107 Ca 0.30 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1n0r h LEU 107 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1n0r h LEU 107 CO -0.05 1.15 0.21 0.00 0.09 0.00 0.00 178.44 179.85 1n0r h ALA 108 N 0.85 0.69 -0.40 1.53 0.00 -0.99 -2.66 119.26 118.27 1n0r h ALA 108 Ca -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1n0r h ALA 108 Cb 1.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1n0r h ALA 108 CO 0.13 0.30 0.11 0.00 0.00 0.00 0.00 179.25 179.79 1n0r h ALA 109 N 1.06 0.52 -0.47 0.00 0.00 -0.97 -0.64 119.26 118.76 1n0r h ALA 109 Ca 0.18 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1n0r h ALA 109 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1n0r h ALA 109 CO -0.01 0.19 0.32 -0.09 0.00 0.00 0.00 179.25 179.65 1n0r h ARG 110 N 0.50 0.34 -0.64 0.00 2.43 -1.19 -1.63 114.38 114.19 1n0r h ARG 110 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1n0r h ARG 110 Cb 0.29 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1n0r h ARG 110 CO -0.00 0.22 0.00 0.09 -1.51 0.00 0.00 179.97 178.77 1n0r n ASN 111 N -4.47 5.07 -0.02 -3.80 3.02 -0.92 -4.95 115.26 109.19 1n0r n ASN 111 Ca 0.07 -2.59 -0.00 0.00 -0.03 0.00 0.00 54.58 52.03 1n0r n ASN 111 Cb 0.29 -0.62 -0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1n0r n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n0r n GLY 112 N 1.00 0.41 3.24 7.41 0.00 -0.61 -4.96 105.19 111.68 1n0r n GLY 112 Ca 0.26 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 1n0r n GLY 112 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n0r n HIS 113 N -2.99 4.29 -0.27 1.61 8.25 -0.29 -4.83 115.22 120.99 1n0r n HIS 113 Ca -0.00 -3.37 -0.06 0.00 -0.26 0.00 0.00 57.72 54.03 1n0r n HIS 113 Cb 0.01 -1.75 0.06 0.00 1.12 0.00 0.00 29.99 29.42 1n0r n HIS 113 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1n0r h LEU 114 N 7.25 0.97 -0.74 2.41 5.85 -1.93 -1.31 115.31 127.81 1n0r h LEU 114 Ca 0.24 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1n0r h LEU 114 Cb 0.79 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1n0r h LEU 114 CO 1.21 0.83 -0.07 -0.33 -0.34 0.00 0.00 178.44 179.74 1n0r h GLU 115 N 1.05 0.90 -0.42 1.25 4.39 -1.98 0.37 114.58 120.12 1n0r h GLU 115 Ca 0.26 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 1n0r h GLU 115 Cb 0.11 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1n0r h GLU 115 CO -0.03 0.93 -0.16 0.28 -1.16 0.00 0.00 179.01 178.87 1n0r h VAL 116 N 0.81 1.26 -0.36 3.13 2.07 -1.85 -1.21 116.25 120.10 1n0r h VAL 116 Ca 0.14 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1n0r h VAL 116 Cb 0.58 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1n0r h VAL 116 CO 0.04 0.43 0.15 0.58 0.02 0.00 0.00 177.57 178.78 1n0r h VAL 117 N 0.71 1.19 -0.71 2.57 2.07 -0.72 0.10 116.25 121.46 1n0r h VAL 117 Ca 0.11 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1n0r h VAL 117 Cb 0.67 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1n0r h VAL 117 CO 0.05 0.20 0.35 0.11 0.02 0.00 0.00 177.57 178.31 1n0r h LYS 118 N 0.44 1.01 -0.46 1.57 1.57 -0.78 -0.89 116.57 119.02 1n0r h LYS 118 Ca 0.12 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1n0r h LYS 118 Cb 0.18 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1n0r h LYS 118 CO -0.01 0.78 0.10 1.25 -0.57 0.00 0.00 179.45 181.00 1n0r h LEU 119 N 0.98 0.72 -0.92 2.94 5.85 -0.83 -1.87 115.31 122.17 1n0r h LEU 119 Ca 0.24 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1n0r h LEU 119 Cb 0.09 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1n0r h LEU 119 CO -0.03 0.77 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.62 1n0r h LEU 120 N 0.63 0.62 -0.65 2.25 3.38 -0.78 0.76 115.31 121.52 1n0r h LEU 120 Ca 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1n0r h LEU 120 Cb 0.35 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1n0r h LEU 120 CO 0.00 0.78 0.24 -0.07 0.09 0.00 0.00 178.44 179.49 1n0r h LEU 121 N 0.57 0.91 -0.30 1.67 3.38 -1.04 -2.12 115.31 118.38 1n0r h LEU 121 Ca 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1n0r h LEU 121 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1n0r h LEU 121 CO 0.04 0.85 0.17 -0.08 0.09 0.00 0.00 178.44 179.51 1n0r h GLU 122 N 0.92 0.42 0.00 1.13 4.81 -0.80 -1.94 114.58 119.12 1n0r h GLU 122 Ca 0.21 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1n0r h GLU 122 Cb 0.24 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1n0r h GLU 122 CO -0.01 0.35 0.00 0.00 -0.73 0.00 0.00 179.01 178.62 1n0r n ALA 123 N -2.22 2.28 -2.07 2.92 0.00 0.21 -3.36 120.51 118.28 1n0r n ALA 123 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.35 1n0r n ALA 123 Cb 0.07 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.15 1n0r n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0r n GLY 124 N 1.02 1.89 0.12 0.00 0.00 -0.82 -4.79 105.19 102.61 1n0r n GLY 124 Ca 0.11 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1n0r n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0r h ALA 125 N 0.60 0.79 -0.03 4.61 0.00 -1.36 -3.49 119.26 120.39 1n0r h ALA 125 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n0r h ALA 125 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1n0r h ALA 125 CO 0.04 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.95