#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1np1 s THR 3 N -2.73 2.72 -0.38 0.00 2.01 -1.26 -5.02 115.64 110.97 1np1 s THR 3 Ca 0.35 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.59 1np1 s THR 3 Cb -0.02 -2.07 0.49 0.00 0.01 0.00 0.00 72.50 70.91 1np1 s THR 3 CO 0.22 0.56 1.53 0.29 -0.69 0.00 0.00 174.62 176.52 1np1 n LYS 4 N 2.92 2.57 -0.00 4.92 4.76 -1.26 -4.56 118.16 127.52 1np1 n LYS 4 Ca -0.18 -3.51 0.04 0.00 -2.87 0.00 0.00 58.31 51.80 1np1 n LYS 4 Cb 0.52 -2.08 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 1np1 n LYS 4 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1np1 n ASN 5 N -0.96 0.98 -4.70 4.39 4.13 -1.26 -5.03 115.26 112.82 1np1 n ASN 5 Ca 0.44 -0.55 -0.61 0.00 1.68 0.00 0.00 54.58 55.55 1np1 n ASN 5 Cb 0.97 1.09 -0.08 0.00 -1.54 0.00 0.00 39.78 40.22 1np1 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1np1 n ALA 6 N -1.34 -0.90 -2.71 5.41 0.00 -1.26 -4.92 120.51 114.78 1np1 n ALA 6 Ca 0.01 0.45 -0.39 0.00 0.00 0.00 0.00 53.44 53.51 1np1 n ALA 6 Cb 0.16 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 1np1 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1np1 s LEU 7 N 2.83 4.27 0.60 0.00 1.43 -1.26 -4.99 118.68 121.56 1np1 s LEU 7 Ca 0.99 0.92 -0.16 0.00 -1.03 0.00 0.00 54.13 54.85 1np1 s LEU 7 Cb -1.22 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 1np1 s LEU 7 CO 0.69 -0.06 1.07 0.00 0.23 0.00 0.00 176.35 178.28 1np1 s ALA 8 N 0.82 2.69 0.25 4.21 0.00 -1.26 -4.23 121.76 124.24 1np1 s ALA 8 Ca 0.30 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 1np1 s ALA 8 Cb -0.16 -3.25 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1np1 s ALA 8 CO 0.13 -0.88 1.53 -1.14 0.00 0.00 0.00 175.76 175.39 1np1 s GLN 9 N -4.02 4.20 -0.09 0.00 0.74 0.43 -4.91 119.66 116.01 1np1 s GLN 9 Ca 0.65 2.43 -0.30 0.00 0.05 0.00 0.00 55.36 58.19 1np1 s GLN 9 Cb -0.17 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 1np1 s GLN 9 CO 0.37 -0.54 1.13 0.99 -0.55 0.00 0.00 175.29 176.69 1np1 s THR 10 N 0.18 4.47 0.00 -0.34 2.01 -1.26 -2.67 115.64 118.03 1np1 s THR 10 Ca 0.63 1.77 0.00 0.00 0.31 0.00 0.00 61.69 64.40 1np1 s THR 10 Cb -0.45 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 67.93 1np1 s THR 10 CO 0.43 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1np1 n GLY 11 N 3.28 0.46 3.66 4.40 0.00 -1.26 -4.99 105.19 110.75 1np1 n GLY 11 Ca 0.10 -0.95 -0.51 0.00 0.00 0.00 0.00 46.02 44.66 1np1 n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1np1 n PHE 12 N -3.02 2.05 -3.15 1.61 7.35 -1.09 -4.92 117.46 116.29 1np1 n PHE 12 Ca 0.00 0.35 -0.46 0.00 -0.76 0.00 0.00 57.45 56.58 1np1 n PHE 12 Cb 0.07 -2.50 -0.02 0.00 0.35 0.00 0.00 39.48 37.37 1np1 n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1np1 s ASN 13 N 2.37 6.66 0.45 -2.13 3.84 -1.26 -4.91 114.94 119.97 1np1 s ASN 13 Ca 0.89 -2.34 0.15 0.00 0.21 0.00 0.00 52.86 51.77 1np1 s ASN 13 Cb -0.85 -2.29 1.08 0.00 -0.55 0.00 0.00 41.25 38.64 1np1 s ASN 13 CO 0.51 -0.81 2.01 0.50 -2.79 0.00 0.00 177.10 176.52 1np1 h LYS 14 N 8.31 0.32 -0.34 0.43 3.64 -2.00 -1.96 116.57 124.97 1np1 h LYS 14 Ca 0.09 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1np1 h LYS 14 Cb 1.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1np1 h LYS 14 CO 0.92 0.21 0.04 -0.44 -2.27 0.00 0.00 179.45 177.91 1np1 h ASP 15 N 0.33 0.47 -0.11 4.20 3.32 -1.90 -1.52 116.42 121.22 1np1 h ASP 15 Ca 0.23 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 57.02 1np1 h ASP 15 Cb 0.48 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.92 1np1 h ASP 15 CO -0.05 0.51 -0.68 0.11 -1.72 0.00 0.00 179.24 177.41 1np1 h LYS 16 N 0.49 0.65 -0.12 3.56 1.57 -1.78 -3.36 116.57 117.58 1np1 h LYS 16 Ca 0.11 -0.56 -0.06 0.00 -1.87 0.00 0.00 60.65 58.28 1np1 h LYS 16 Cb 0.26 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1np1 h LYS 16 CO 0.00 1.17 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.99 1np1 h TYR 17 N 0.30 0.37 -1.95 -1.35 3.20 -1.45 -3.33 116.97 112.76 1np1 h TYR 17 Ca -0.06 -0.12 -0.79 0.00 3.14 0.00 0.00 58.73 60.91 1np1 h TYR 17 Cb 1.33 -0.08 -0.22 0.00 1.54 0.00 0.00 36.73 39.30 1np1 h TYR 17 CO 0.10 0.73 1.49 1.19 -1.64 0.00 0.00 178.16 180.04 1np1 n PHE 18 N -4.58 2.65 -0.64 -3.82 3.72 -0.58 -4.62 117.46 109.58 1np1 n PHE 18 Ca -0.07 -2.66 0.08 0.00 -0.05 0.00 0.00 57.45 54.76 1np1 n PHE 18 Cb 0.36 -1.45 0.27 0.00 -0.94 0.00 0.00 39.48 37.72 1np1 n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1np1 n ASN 19 N 0.96 4.02 0.00 4.37 6.94 -1.02 -4.38 115.26 126.15 1np1 n ASN 19 Ca 0.48 -2.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 1np1 n ASN 19 Cb 0.27 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 1np1 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1np1 n GLY 20 N 0.37 0.91 3.96 4.83 0.00 0.13 -4.95 105.19 110.45 1np1 n GLY 20 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1np1 n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1np1 s ASP 21 N -2.93 5.86 0.22 1.61 1.01 -1.26 -4.73 116.67 116.44 1np1 s ASP 21 Ca 0.00 0.22 -0.25 0.00 0.71 0.00 0.00 52.55 53.22 1np1 s ASP 21 Cb 0.00 -1.49 -0.09 0.00 1.01 0.00 0.00 42.92 42.35 1np1 s ASP 21 CO 0.00 -0.66 0.82 -0.69 0.21 0.00 0.00 175.17 174.86 1np1 s VAL 22 N -2.50 4.33 -0.06 -1.27 1.01 -1.26 -3.38 120.40 117.27 1np1 s VAL 22 Ca 0.48 1.71 0.06 0.00 0.00 0.00 0.00 61.98 64.22 1np1 s VAL 22 Cb -0.10 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1np1 s VAL 22 CO 0.37 0.39 -0.23 0.26 0.00 0.00 0.00 175.10 175.89 1np1 s TRP 23 N -1.31 2.29 -0.02 5.22 0.52 0.16 -4.58 118.94 121.22 1np1 s TRP 23 Ca 0.41 -0.70 0.01 0.00 0.02 0.00 0.00 56.10 55.84 1np1 s TRP 23 Cb -0.22 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1np1 s TRP 23 CO 0.26 -0.22 -0.02 0.71 0.02 0.00 0.00 176.95 177.70 1np1 s TYR 24 N -0.09 3.04 -0.47 -1.98 1.51 0.25 -1.57 117.35 118.05 1np1 s TYR 24 Ca -0.05 0.07 -0.24 0.00 -1.01 0.00 0.00 57.07 55.85 1np1 s TYR 24 Cb -0.14 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1np1 s TYR 24 CO 0.04 0.43 0.84 0.08 -1.11 0.00 0.00 175.55 175.83 1np1 s VAL 25 N -1.01 4.57 -0.05 0.71 1.01 -0.50 -0.60 120.40 124.54 1np1 s VAL 25 Ca 0.17 0.48 0.11 0.00 0.00 0.00 0.00 61.98 62.74 1np1 s VAL 25 Cb -0.11 -4.38 -0.23 0.00 0.00 0.00 0.00 36.38 31.65 1np1 s VAL 25 CO 0.07 -0.81 0.66 0.35 0.00 0.00 0.00 175.10 175.37 1np1 n THR 26 N 6.22 1.63 -3.78 3.92 -2.24 -0.32 -4.65 114.28 115.05 1np1 n THR 26 Ca 0.03 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 1np1 n THR 26 Cb 0.48 -1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 67.52 1np1 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1np1 s ASP 27 N -6.16 -0.17 0.11 3.42 1.01 -1.19 -1.11 116.67 112.58 1np1 s ASP 27 Ca -0.06 0.13 -0.07 0.00 0.71 0.00 0.00 52.55 53.27 1np1 s ASP 27 Cb 0.08 0.35 -0.01 0.00 1.01 0.00 0.00 42.92 44.35 1np1 s ASP 27 CO 0.82 -0.36 0.18 -0.72 0.21 0.00 0.00 175.17 175.30 1np1 s TYR 28 N -1.04 0.36 -0.23 4.23 1.13 0.11 0.06 117.35 121.97 1np1 s TYR 28 Ca -0.11 -0.78 -0.04 0.00 -1.41 0.00 0.00 57.07 54.73 1np1 s TYR 28 Cb -0.05 -0.15 0.08 0.00 -1.10 0.00 0.00 41.96 40.74 1np1 s TYR 28 CO 0.03 -0.58 0.10 -1.17 -2.51 0.00 0.00 175.55 171.41 1np1 s LEU 29 N -2.93 0.76 -0.34 -3.49 2.96 -0.17 -0.29 118.68 115.19 1np1 s LEU 29 Ca 0.12 -1.01 -0.13 0.00 -0.22 0.00 0.00 54.13 52.88 1np1 s LEU 29 Cb 0.05 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 1np1 s LEU 29 CO -0.06 -0.38 0.27 -0.62 -1.32 0.00 0.00 176.35 174.24 1np1 s ASP 30 N 2.02 6.09 0.00 3.68 -1.08 -1.26 -0.44 116.67 125.68 1np1 s ASP 30 Ca 0.05 -0.33 0.23 0.00 -0.52 0.00 0.00 52.55 51.98 1np1 s ASP 30 Cb -0.16 -2.15 1.24 0.00 -1.46 0.00 0.00 42.92 40.39 1np1 s ASP 30 CO -0.21 -0.25 1.75 0.18 0.52 0.00 0.00 175.17 177.16 1np1 n LEU 31 N 5.18 0.00 -3.08 -1.34 4.77 -0.89 -4.01 117.00 117.63 1np1 n LEU 31 Ca -0.12 0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 55.84 1np1 n LEU 31 Cb 0.50 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1np1 n LEU 31 CO 0.37 -0.04 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.60 1np1 n GLU 32 N -1.17 0.73 -1.89 3.23 1.02 -1.26 -4.96 120.64 116.34 1np1 n GLU 32 Ca 0.13 -2.84 -0.34 0.00 -0.02 0.00 0.00 57.16 54.10 1np1 n GLU 32 Cb 0.14 -1.28 0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1np1 n GLU 32 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1np1 s PRO 33 N -0.70 2.90 0.81 3.49 0.02 -1.26 -5.02 135.00 135.24 1np1 s PRO 33 Ca 0.34 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 62.80 1np1 s PRO 33 Cb 0.19 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.84 1np1 s PRO 33 CO -0.15 -1.20 1.12 -0.51 -0.33 0.00 0.00 177.00 175.93 1np1 s ASP 34 N -2.17 4.04 0.17 2.53 1.01 -1.26 -4.95 116.67 116.03 1np1 s ASP 34 Ca 0.71 1.98 -0.10 0.00 0.71 0.00 0.00 52.55 55.84 1np1 s ASP 34 Cb -0.24 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.21 1np1 s ASP 34 CO 0.37 -2.35 1.64 0.44 0.21 0.00 0.00 175.17 175.47 1np1 h ASP 35 N -1.23 0.98 -3.30 0.27 5.19 -2.06 -3.43 116.42 112.83 1np1 h ASP 35 Ca -0.44 -0.30 -0.57 0.00 -0.62 0.00 0.00 57.03 55.11 1np1 h ASP 35 Cb 1.25 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.44 1np1 h ASP 35 CO 0.48 1.03 -0.02 0.68 -3.12 0.00 0.00 179.24 178.30 1np1 s VAL 36 N -5.07 4.92 0.20 -1.35 -7.23 -1.26 -5.05 120.40 105.56 1np1 s VAL 36 Ca -0.12 1.24 -0.32 0.00 -1.81 0.00 0.00 61.98 60.97 1np1 s VAL 36 Cb 0.13 -3.93 -0.11 0.00 0.56 0.00 0.00 36.38 33.03 1np1 s VAL 36 CO 0.84 0.42 1.69 -2.16 -0.31 0.00 0.00 175.10 175.58 1np1 s PRO 37 N -0.17 4.14 -0.08 4.82 0.04 -1.26 -5.03 135.00 137.46 1np1 s PRO 37 Ca 0.31 2.56 -0.03 0.00 0.04 0.00 0.00 61.00 63.88 1np1 s PRO 37 Cb -0.18 -3.10 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1np1 s PRO 37 CO 0.17 -0.73 0.10 0.21 0.04 0.00 0.00 177.00 176.79 1np1 s LYS 38 N 1.21 -0.02 -0.17 4.56 2.20 -1.26 -5.10 119.74 121.16 1np1 s LYS 38 Ca 0.74 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 56.41 1np1 s LYS 38 Cb -0.48 -0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 1np1 s LYS 38 CO 0.32 -0.39 1.83 1.03 -0.36 0.00 0.00 175.35 177.78 1np1 s ARG 39 N 2.21 3.71 -0.15 4.03 0.52 -1.26 -4.96 118.95 123.04 1np1 s ARG 39 Ca 0.04 1.93 -0.03 0.00 -0.52 0.00 0.00 55.73 57.15 1np1 s ARG 39 Cb -0.13 -4.14 -0.03 0.00 0.52 0.00 0.00 34.95 31.17 1np1 s ARG 39 CO -0.05 -1.42 -0.04 -0.47 0.02 0.00 0.00 175.30 173.34 1np1 s TYR 40 N 5.78 3.01 -0.09 -0.53 5.04 -1.26 -3.94 117.35 125.37 1np1 s TYR 40 Ca 0.82 -0.29 0.04 0.00 -2.44 0.00 0.00 57.07 55.20 1np1 s TYR 40 Cb -0.30 -1.93 -0.01 0.00 0.35 0.00 0.00 41.96 40.07 1np1 s TYR 40 CO 0.33 -0.01 -0.22 0.00 -1.34 0.00 0.00 175.55 174.31 1np1 s ALA 42 N 0.11 -1.19 0.20 0.00 0.00 -1.26 -0.63 121.76 118.98 1np1 s ALA 42 Ca -0.11 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 1np1 s ALA 42 Cb -0.16 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1np1 s ALA 42 CO 0.06 -0.26 0.35 0.00 0.00 0.00 0.00 175.76 175.92 1np1 s ALA 43 N -0.31 -0.02 0.14 0.00 0.00 -0.79 -1.41 121.76 119.36 1np1 s ALA 43 Ca -0.05 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1np1 s ALA 43 Cb -0.03 1.00 0.04 0.00 0.00 0.00 0.00 23.12 24.12 1np1 s ALA 43 CO 0.03 -0.73 0.43 -0.48 0.00 0.00 0.00 175.76 175.01 1np1 s LEU 44 N -3.00 0.30 -0.05 0.00 0.05 -0.61 -1.32 118.68 114.06 1np1 s LEU 44 Ca 0.21 -0.32 0.01 0.00 0.05 0.00 0.00 54.13 54.08 1np1 s LEU 44 Cb 0.02 1.92 0.02 0.00 -2.05 0.00 0.00 46.19 46.10 1np1 s LEU 44 CO 0.04 -0.89 -0.06 0.00 -0.55 0.00 0.00 176.35 174.90 1np1 s ALA 45 N -3.81 0.76 -0.06 1.48 0.00 -0.38 -0.67 121.76 119.08 1np1 s ALA 45 Ca 0.04 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1np1 s ALA 45 Cb 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1np1 s ALA 45 CO -0.11 0.02 -0.10 0.00 0.00 0.00 0.00 175.76 175.58 1np1 s ALA 46 N 0.81 1.11 0.00 0.00 0.00 -1.22 -0.87 121.76 121.60 1np1 s ALA 46 Ca -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1np1 s ALA 46 Cb -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1np1 s ALA 46 CO 0.01 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1np1 n GLY 47 N 3.97 4.10 3.17 0.00 0.00 -0.67 -0.69 105.19 115.08 1np1 n GLY 47 Ca -0.22 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1np1 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1np1 s THR 48 N -0.58 1.38 -0.13 2.61 -4.23 -1.26 -1.78 115.64 111.65 1np1 s THR 48 Ca 0.00 -0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1np1 s THR 48 Cb 0.00 -1.17 0.06 0.00 1.34 0.00 0.00 72.50 72.73 1np1 s THR 48 CO 0.00 0.30 0.18 0.00 -0.54 0.00 0.00 174.62 174.57 1np1 s ALA 49 N -0.53 -0.20 -1.16 3.99 0.00 0.13 -4.89 121.76 119.10 1np1 s ALA 49 Ca 0.06 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1np1 s ALA 49 Cb -0.07 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 1np1 s ALA 49 CO 0.00 -0.80 0.97 0.43 0.00 0.00 0.00 175.76 176.36 1np1 n SER 50 N 5.32 -3.29 0.00 0.00 7.64 -1.26 -1.50 113.62 120.53 1np1 n SER 50 Ca -0.05 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1np1 n SER 50 Cb 0.50 -5.11 0.00 0.00 -1.01 0.00 0.00 64.21 58.58 1np1 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1np1 n GLY 51 N -1.17 0.07 3.90 0.23 0.00 -1.26 -4.92 105.19 102.04 1np1 n GLY 51 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1np1 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1np1 s LYS 52 N -1.14 3.43 -0.12 1.61 -0.14 -0.56 -5.07 119.74 117.76 1np1 s LYS 52 Ca 0.00 -0.31 -0.21 0.00 -1.36 0.00 0.00 55.97 54.09 1np1 s LYS 52 Cb 0.00 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 1np1 s LYS 52 CO 0.00 0.68 0.63 -0.51 -0.76 0.00 0.00 175.35 175.39 1np1 s LEU 53 N -1.87 4.25 0.07 3.17 1.43 -1.26 0.18 118.68 124.65 1np1 s LEU 53 Ca 0.26 1.00 0.07 0.00 -1.03 0.00 0.00 54.13 54.43 1np1 s LEU 53 Cb -0.13 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1np1 s LEU 53 CO 0.18 -0.14 -0.19 -0.54 0.23 0.00 0.00 176.35 175.88 1np1 s LYS 54 N 1.12 1.16 -0.03 1.70 -0.14 -0.73 -0.38 119.74 122.44 1np1 s LYS 54 Ca 0.32 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 1np1 s LYS 54 Cb -0.16 -1.31 0.03 0.00 -1.68 0.00 0.00 37.83 34.71 1np1 s LYS 54 CO 0.14 0.32 0.01 -2.00 -0.76 0.00 0.00 175.35 173.06 1np1 s GLU 55 N -1.48 0.19 -0.11 1.68 2.12 -0.74 -1.67 118.70 118.69 1np1 s GLU 55 Ca 0.05 0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.50 1np1 s GLU 55 Cb -0.09 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 33.83 1np1 s GLU 55 CO 0.03 -0.17 -0.03 0.00 -0.54 0.00 0.00 175.26 174.55 1np1 s ALA 56 N 1.15 3.11 0.15 6.30 0.00 -0.05 -1.01 121.76 131.41 1np1 s ALA 56 Ca -0.08 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.14 1np1 s ALA 56 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1np1 s ALA 56 CO -0.02 0.44 -0.17 -1.17 0.00 0.00 0.00 175.76 174.84 1np1 s LEU 57 N -0.40 2.72 -0.04 0.00 2.96 0.38 -1.25 118.68 123.05 1np1 s LEU 57 Ca 0.07 -0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1np1 s LEU 57 Cb -0.12 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.10 1np1 s LEU 57 CO 0.02 0.15 0.08 -0.47 -1.32 0.00 0.00 176.35 174.81 1np1 s TYR 58 N -1.40 -0.05 0.07 5.38 5.04 -0.43 -2.50 117.35 123.45 1np1 s TYR 58 Ca 0.20 0.29 0.08 0.00 -2.44 0.00 0.00 57.07 55.20 1np1 s TYR 58 Cb -0.10 -0.18 -0.03 0.00 0.35 0.00 0.00 41.96 42.01 1np1 s TYR 58 CO 0.11 -0.13 -0.22 -1.01 -1.34 0.00 0.00 175.55 172.96 1np1 s HIS 59 N 1.16 1.95 -0.11 4.97 3.76 -0.64 -1.89 115.29 124.49 1np1 s HIS 59 Ca -0.09 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.36 1np1 s HIS 59 Cb -0.12 -1.13 0.04 0.00 1.11 0.00 0.00 32.58 32.48 1np1 s HIS 59 CO -0.04 0.15 0.27 -0.47 -0.85 0.00 0.00 174.74 173.80 1np1 s TYR 60 N -0.92 -0.35 -0.37 1.40 5.04 0.20 -2.36 117.35 119.99 1np1 s TYR 60 Ca 0.09 0.82 -0.07 0.00 -2.44 0.00 0.00 57.07 55.47 1np1 s TYR 60 Cb -0.09 0.09 0.06 0.00 0.35 0.00 0.00 41.96 42.36 1np1 s TYR 60 CO 0.03 -0.22 0.15 0.34 -1.34 0.00 0.00 175.55 174.52 1np1 s ASP 61 N 0.92 5.38 0.36 4.32 2.15 -0.39 -1.44 116.67 127.97 1np1 s ASP 61 Ca -0.06 -1.35 0.06 0.00 0.43 0.00 0.00 52.55 51.62 1np1 s ASP 61 Cb -0.07 -1.89 0.74 0.00 -0.30 0.00 0.00 42.92 41.39 1np1 s ASP 61 CO -0.06 -0.41 1.95 -0.65 -0.17 0.00 0.00 175.17 175.83 1np1 h PRO 62 N 8.24 0.74 0.00 4.34 0.11 -1.86 0.35 132.00 143.92 1np1 h PRO 62 Ca -0.22 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1np1 h PRO 62 Cb 1.08 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1np1 h PRO 62 CO 0.65 0.49 0.00 1.17 -0.21 0.00 0.00 178.00 180.11 1np1 n LYS 63 N -4.49 0.00 0.29 1.05 4.81 -1.26 -3.35 118.16 115.21 1np1 n LYS 63 Ca 0.11 0.25 0.16 0.00 -0.87 0.00 0.00 58.31 57.97 1np1 n LYS 63 Cb 0.25 -1.22 0.87 0.00 0.02 0.00 0.00 35.03 34.96 1np1 n LYS 63 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1np1 h THR 64 N 0.00 0.36 0.00 3.15 1.35 -1.98 -3.45 112.91 112.33 1np1 h THR 64 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1np1 h THR 64 Cb 0.00 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1np1 h THR 64 CO 0.00 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.33 1np1 n GLN 65 N -3.47 -0.16 -2.30 4.72 6.02 0.12 -4.98 117.38 117.32 1np1 n GLN 65 Ca -0.02 0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.61 1np1 n GLN 65 Cb 0.18 -3.09 -0.03 0.00 1.02 0.00 0.00 30.24 28.33 1np1 n GLN 65 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1np1 s ASP 66 N -2.46 6.86 0.03 1.08 1.01 -1.22 -4.81 116.67 117.16 1np1 s ASP 66 Ca 0.00 2.42 -0.03 0.00 0.71 0.00 0.00 52.55 55.65 1np1 s ASP 66 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1np1 s ASP 66 CO 0.00 -0.45 0.04 0.42 0.21 0.00 0.00 175.17 175.39 1np1 s THR 67 N -1.25 0.13 -0.02 -1.27 -4.23 -1.26 -1.27 115.64 106.47 1np1 s THR 67 Ca 0.50 -1.05 -0.13 0.00 -1.18 0.00 0.00 61.69 59.83 1np1 s THR 67 Cb -0.34 -0.66 0.02 0.00 1.34 0.00 0.00 72.50 72.86 1np1 s THR 67 CO 0.44 -0.58 0.27 0.72 -0.54 0.00 0.00 174.62 174.93 1np1 s PHE 68 N -2.14 -0.16 0.21 3.99 -0.71 -1.00 -5.01 117.98 113.17 1np1 s PHE 68 Ca -0.09 0.26 0.10 0.00 -1.04 0.00 0.00 56.93 56.16 1np1 s PHE 68 Cb -0.04 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1np1 s PHE 68 CO -0.03 -0.34 -0.13 0.71 -1.34 0.00 0.00 175.22 174.09 1np1 s TYR 69 N -1.13 2.51 0.01 3.49 1.51 -1.24 -1.63 117.35 120.88 1np1 s TYR 69 Ca -0.12 -0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 55.54 1np1 s TYR 69 Cb -0.05 -1.19 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1np1 s TYR 69 CO 0.03 0.56 0.27 -0.51 -1.11 0.00 0.00 175.55 174.79 1np1 s ASP 70 N -3.02 -0.11 0.01 2.29 1.01 -1.04 -1.79 116.67 114.02 1np1 s ASP 70 Ca 0.26 -0.10 0.02 0.00 0.71 0.00 0.00 52.55 53.43 1np1 s ASP 70 Cb -0.08 0.31 -0.01 0.00 1.01 0.00 0.00 42.92 44.15 1np1 s ASP 70 CO 0.15 -0.51 -0.06 -0.69 0.21 0.00 0.00 175.17 174.27 1np1 s VAL 71 N -1.90 0.42 0.05 -1.27 1.01 -0.55 -0.47 120.40 117.68 1np1 s VAL 71 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1np1 s VAL 71 Cb -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1np1 s VAL 71 CO 0.00 -0.03 -0.04 -0.44 0.00 0.00 0.00 175.10 174.59 1np1 s SER 72 N -0.52 0.58 -0.18 3.32 0.01 -0.18 -1.34 113.70 115.38 1np1 s SER 72 Ca -0.02 -0.76 -0.08 0.00 1.31 0.00 0.00 55.95 56.41 1np1 s SER 72 Cb -0.04 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 1np1 s SER 72 CO -0.00 -0.41 0.07 -0.70 0.41 0.00 0.00 173.24 172.61 1np1 s GLU 73 N -2.68 4.00 -0.03 12.44 2.12 -1.26 -1.79 118.70 131.49 1np1 s GLU 73 Ca -0.03 -0.32 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 1np1 s GLU 73 Cb -0.02 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1np1 s GLU 73 CO -0.04 0.29 0.08 -0.51 -0.54 0.00 0.00 175.26 174.54 1np1 s LEU 74 N 0.33 3.94 -0.22 2.70 1.43 0.49 -3.72 118.68 123.63 1np1 s LEU 74 Ca 0.04 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1np1 s LEU 74 Cb -0.12 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1np1 s LEU 74 CO -0.00 0.31 -0.04 -1.58 0.23 0.00 0.00 176.35 175.27 1np1 s GLN 75 N -1.53 3.41 -0.60 1.70 0.74 -0.12 -4.49 119.66 118.76 1np1 s GLN 75 Ca 0.21 -0.61 -0.27 0.00 0.05 0.00 0.00 55.36 54.73 1np1 s GLN 75 Cb -0.12 -3.01 0.03 0.00 1.10 0.00 0.00 33.01 31.01 1np1 s GLN 75 CO 0.11 -0.17 1.15 -2.00 -0.55 0.00 0.00 175.29 173.84 1np1 s GLU 76 N 1.40 3.42 0.47 1.67 2.12 -1.26 -0.78 118.70 125.74 1np1 s GLU 76 Ca 0.05 0.05 0.26 0.00 0.36 0.00 0.00 54.97 55.69 1np1 s GLU 76 Cb -0.14 -4.05 1.05 0.00 0.26 0.00 0.00 34.13 31.24 1np1 s GLU 76 CO -0.02 -1.72 1.88 0.93 -0.54 0.00 0.00 175.26 175.78 1np1 h GLU 77 N 9.57 0.00 0.00 4.30 4.39 -0.98 -3.47 114.58 128.40 1np1 h GLU 77 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1np1 h GLU 77 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1np1 h GLU 77 CO 1.18 0.17 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 1np1 n SER 78 N -3.35 0.00 -4.70 1.42 3.41 -1.08 -4.99 113.62 104.31 1np1 n SER 78 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1np1 n SER 78 Cb 0.39 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1np1 n SER 78 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1np1 s PRO 79 N -2.00 4.15 0.00 4.33 0.02 -1.26 -0.97 135.00 139.27 1np1 s PRO 79 Ca 0.00 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1np1 s PRO 79 Cb 0.00 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1np1 s PRO 79 CO 0.00 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 1np1 n GLY 80 N 4.04 2.42 3.29 0.52 0.00 -1.26 -4.78 105.19 109.41 1np1 n GLY 80 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1np1 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1np1 s LYS 81 N -0.32 2.92 0.22 1.61 2.47 -0.14 -0.95 119.74 125.55 1np1 s LYS 81 Ca 0.00 -0.95 0.04 0.00 -1.56 0.00 0.00 55.97 53.49 1np1 s LYS 81 Cb 0.00 -3.26 -0.05 0.00 -1.46 0.00 0.00 37.83 33.05 1np1 s LYS 81 CO 0.00 -0.47 -0.01 0.71 0.16 0.00 0.00 175.35 175.74 1np1 s TYR 82 N 1.42 1.54 -0.04 4.03 1.51 -0.65 -0.27 117.35 124.89 1np1 s TYR 82 Ca 0.01 -0.90 0.04 0.00 -1.01 0.00 0.00 57.07 55.21 1np1 s TYR 82 Cb -0.17 -0.88 -0.00 0.00 -0.11 0.00 0.00 41.96 40.79 1np1 s TYR 82 CO 0.00 -0.02 -0.17 0.99 -1.11 0.00 0.00 175.55 175.24 1np1 s THR 83 N -3.40 1.43 -0.15 -0.71 2.01 0.04 -1.76 115.64 113.09 1np1 s THR 83 Ca 0.27 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1np1 s THR 83 Cb 0.05 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.36 1np1 s THR 83 CO 0.08 0.41 -0.11 0.00 -0.69 0.00 0.00 174.62 174.31 1np1 s ALA 84 N 0.05 1.76 -0.54 7.40 0.00 0.86 -0.95 121.76 130.35 1np1 s ALA 84 Ca -0.04 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 1np1 s ALA 84 Cb -0.12 -1.08 0.09 0.00 0.00 0.00 0.00 23.12 22.01 1np1 s ALA 84 CO 0.02 -0.52 0.61 -0.80 0.00 0.00 0.00 175.76 175.08 1np1 s ASN 85 N 1.52 6.19 0.35 0.00 -0.87 -1.24 -1.61 114.94 119.28 1np1 s ASN 85 Ca 0.03 -1.30 -0.03 0.00 -1.57 0.00 0.00 52.86 50.00 1np1 s ASN 85 Cb -0.14 -2.27 -0.04 0.00 -0.02 0.00 0.00 41.25 38.78 1np1 s ASN 85 CO -0.09 -0.95 0.59 0.72 -2.57 0.00 0.00 177.10 174.80 1np1 s PHE 86 N 2.38 3.50 -0.02 2.20 -0.12 -1.25 -4.04 117.98 120.64 1np1 s PHE 86 Ca 0.10 0.54 0.02 0.00 -0.05 0.00 0.00 56.93 57.55 1np1 s PHE 86 Cb -0.23 -2.05 0.00 0.00 -0.63 0.00 0.00 43.02 40.11 1np1 s PHE 86 CO 0.08 0.08 -0.08 -1.59 -0.05 0.00 0.00 175.22 173.65 1np1 s LYS 87 N -4.07 0.82 0.06 1.99 -2.85 -0.45 -4.22 119.74 111.02 1np1 s LYS 87 Ca 0.43 -0.29 -0.28 0.00 -1.00 0.00 0.00 55.97 54.83 1np1 s LYS 87 Cb -0.10 -0.78 -0.05 0.00 -2.06 0.00 0.00 37.83 34.83 1np1 s LYS 87 CO 0.35 0.13 0.89 0.21 0.10 0.00 0.00 175.35 177.03 1np1 s LYS 88 N 0.06 4.60 0.14 1.78 2.20 -0.57 -1.49 119.74 126.46 1np1 s LYS 88 Ca -0.01 1.29 0.01 0.00 -0.36 0.00 0.00 55.97 56.90 1np1 s LYS 88 Cb -0.07 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1np1 s LYS 88 CO 0.00 0.18 0.00 0.14 -0.36 0.00 0.00 175.35 175.32 1np1 s VAL 89 N 0.19 0.48 0.73 4.02 -7.23 -0.74 -0.55 120.40 117.30 1np1 s VAL 89 Ca 0.44 -1.94 -0.10 0.00 -1.81 0.00 0.00 61.98 58.57 1np1 s VAL 89 Cb -0.22 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.79 1np1 s VAL 89 CO 0.27 -0.58 1.09 -1.61 -0.31 0.00 0.00 175.10 173.96 1np1 s GLU 90 N -3.94 2.39 0.56 4.82 0.41 -0.01 -3.69 118.70 119.24 1np1 s GLU 90 Ca 0.21 0.14 0.38 0.00 -0.41 0.00 0.00 54.97 55.28 1np1 s GLU 90 Cb 0.07 -2.05 1.91 0.00 -1.78 0.00 0.00 34.13 32.28 1np1 s GLU 90 CO 0.01 -1.26 2.14 1.57 -0.49 0.00 0.00 175.26 177.23 1np1 h LYS 91 N -0.75 0.00 -0.00 1.61 2.10 -1.97 -0.09 116.57 117.47 1np1 h LYS 91 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1np1 h LYS 91 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1np1 h LYS 91 CO 0.64 0.00 -0.39 0.27 -2.00 0.00 0.00 179.45 177.96 1np1 n ASN 92 N -2.91 0.53 0.00 7.07 0.23 -1.26 -4.83 115.26 114.09 1np1 n ASN 92 Ca -0.02 -0.30 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1np1 n ASN 92 Cb 0.13 0.14 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1np1 n ASN 92 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1np1 n GLY 93 N 1.46 0.58 3.73 4.83 0.00 -0.05 -5.03 105.19 110.71 1np1 n GLY 93 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1np1 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1np1 s ASN 94 N -1.98 6.48 -0.01 1.61 0.01 -1.26 -4.64 114.94 115.15 1np1 s ASN 94 Ca 0.00 2.77 -0.30 0.00 -0.71 0.00 0.00 52.86 54.62 1np1 s ASN 94 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1np1 s ASN 94 CO 0.00 -0.89 1.16 -0.69 -1.51 0.00 0.00 177.10 175.17 1np1 s VAL 95 N 0.88 4.31 -0.24 1.60 1.01 -1.26 -0.83 120.40 125.86 1np1 s VAL 95 Ca 0.70 1.64 -0.11 0.00 0.00 0.00 0.00 61.98 64.21 1np1 s VAL 95 Cb -0.47 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 31.75 1np1 s VAL 95 CO 0.35 0.06 -0.30 0.29 0.00 0.00 0.00 175.10 175.50 1np1 n LYS 96 N 4.61 0.52 -3.76 2.72 5.02 0.29 -4.90 118.16 122.67 1np1 n LYS 96 Ca 0.09 0.22 -0.29 0.00 -2.02 0.00 0.00 58.31 56.31 1np1 n LYS 96 Cb 0.47 -1.37 -0.16 0.00 -0.02 0.00 0.00 35.03 33.95 1np1 n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1np1 s VAL 97 N -2.45 0.79 1.09 -0.18 1.01 -0.91 -4.98 120.40 114.77 1np1 s VAL 97 Ca -0.34 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.55 1np1 s VAL 97 Cb 0.12 -1.37 0.24 0.00 0.00 0.00 0.00 36.38 35.37 1np1 s VAL 97 CO 0.44 -0.37 1.06 -0.62 0.00 0.00 0.00 175.10 175.61 1np1 s ASP 98 N 1.71 1.76 0.10 3.32 -1.08 -1.26 -1.52 116.67 119.70 1np1 s ASP 98 Ca 0.02 1.28 -0.32 0.00 -0.52 0.00 0.00 52.55 53.01 1np1 s ASP 98 Cb -0.17 -2.00 -0.12 0.00 -1.46 0.00 0.00 42.92 39.17 1np1 s ASP 98 CO -0.15 -3.68 1.78 0.52 0.52 0.00 0.00 175.17 174.16 1np1 n VAL 99 N -4.55 0.30 -4.53 1.11 0.31 -1.26 -4.80 118.33 104.91 1np1 n VAL 99 Ca 0.04 -0.05 -0.25 0.00 -0.01 0.00 0.00 64.34 64.06 1np1 n VAL 99 Cb 0.56 -1.94 -0.11 0.00 -0.91 0.00 0.00 33.84 31.45 1np1 n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1np1 s THR 100 N 2.46 2.01 0.06 2.52 2.01 -1.26 -5.08 115.64 118.36 1np1 s THR 100 Ca 0.83 -2.14 -0.15 0.00 0.31 0.00 0.00 61.69 60.53 1np1 s THR 100 Cb -0.56 -2.68 -0.21 0.00 0.01 0.00 0.00 72.50 69.06 1np1 s THR 100 CO 0.40 -0.17 1.20 -1.28 -0.69 0.00 0.00 174.62 174.07 1np1 h SER 101 N 2.04 0.81 -0.42 3.53 0.87 -1.99 -3.28 113.55 115.10 1np1 h SER 101 Ca -0.42 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.43 1np1 h SER 101 Cb 1.24 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1np1 h SER 101 CO 0.72 1.40 0.00 0.61 -0.53 0.00 0.00 176.83 179.03 1np1 n GLY 102 N 0.95 1.82 3.08 5.77 0.00 -1.26 -4.75 105.19 110.80 1np1 n GLY 102 Ca -0.10 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1np1 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1np1 s ASN 103 N -0.75 4.92 0.17 1.61 -0.87 -1.24 -1.13 114.94 117.65 1np1 s ASN 103 Ca 0.33 -1.93 -0.24 0.00 -1.57 0.00 0.00 52.86 49.45 1np1 s ASN 103 Cb 0.21 -1.70 0.06 0.00 -0.02 0.00 0.00 41.25 39.80 1np1 s ASN 103 CO 0.16 -0.40 0.92 -0.72 -2.57 0.00 0.00 177.10 174.49 1np1 s TYR 104 N 1.05 -0.14 -0.00 2.20 1.13 -0.10 -3.89 117.35 117.59 1np1 s TYR 104 Ca 0.06 -0.19 -0.05 0.00 -1.41 0.00 0.00 57.07 55.48 1np1 s TYR 104 Cb -0.20 0.65 -0.00 0.00 -1.10 0.00 0.00 41.96 41.30 1np1 s TYR 104 CO -0.06 -0.89 0.10 1.52 -2.51 0.00 0.00 175.55 173.72 1np1 s TYR 105 N -3.38 0.04 0.08 -3.49 -0.85 -0.63 0.48 117.35 109.60 1np1 s TYR 105 Ca 0.12 -0.11 0.07 0.00 -0.52 0.00 0.00 57.07 56.63 1np1 s TYR 105 Cb -0.02 -0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 1np1 s TYR 105 CO 0.03 -0.22 -0.14 0.95 -1.52 0.00 0.00 175.55 174.64 1np1 s THR 106 N -1.08 3.07 -0.00 -3.49 -4.23 -0.56 -0.10 115.64 109.25 1np1 s THR 106 Ca -0.12 -1.25 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1np1 s THR 106 Cb -0.07 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 1np1 s THR 106 CO 0.01 0.21 0.04 0.72 -0.54 0.00 0.00 174.62 175.06 1np1 s PHE 107 N -1.08 0.08 -0.15 3.99 -0.12 -0.72 -0.83 117.98 119.14 1np1 s PHE 107 Ca 0.18 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1np1 s PHE 107 Cb -0.11 -0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1np1 s PHE 107 CO 0.09 -0.15 -0.17 0.99 -0.05 0.00 0.00 175.22 175.93 1np1 s THR 108 N -0.83 2.45 -0.62 -4.49 2.01 -0.45 -1.64 115.64 112.08 1np1 s THR 108 Ca -0.09 -0.84 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 1np1 s THR 108 Cb -0.06 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.48 1np1 s THR 108 CO 0.00 0.52 1.04 -0.69 -0.69 0.00 0.00 174.62 174.81 1np1 s VAL 109 N 0.87 4.20 -0.21 3.82 1.01 -0.12 -1.00 120.40 128.98 1np1 s VAL 109 Ca -0.05 0.22 0.17 0.00 0.00 0.00 0.00 61.98 62.32 1np1 s VAL 109 Cb -0.15 -4.67 0.09 0.00 0.00 0.00 0.00 36.38 31.65 1np1 s VAL 109 CO -0.02 -1.37 1.40 0.24 0.00 0.00 0.00 175.10 175.36 1np1 h MET 110 N 9.54 0.00 -1.74 2.72 2.86 -0.90 0.12 114.93 127.53 1np1 h MET 110 Ca -0.27 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1np1 h MET 110 Cb 1.07 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.50 1np1 h MET 110 CO 1.16 0.38 0.37 -0.47 1.06 0.00 0.00 176.91 179.40 1np1 s TYR 111 N -3.01 -0.54 0.01 -0.22 5.04 -0.82 -3.75 117.35 114.05 1np1 s TYR 111 Ca 0.04 1.18 -0.28 0.00 -2.44 0.00 0.00 57.07 55.57 1np1 s TYR 111 Cb 0.07 0.37 0.09 0.00 0.35 0.00 0.00 41.96 42.84 1np1 s TYR 111 CO 0.74 -0.35 0.76 0.00 -1.34 0.00 0.00 175.55 175.36 1np1 s ALA 112 N -0.31 -1.76 0.00 3.97 0.00 -1.26 -0.38 121.76 122.02 1np1 s ALA 112 Ca -0.01 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1np1 s ALA 112 Cb -0.03 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1np1 s ALA 112 CO -0.00 -0.56 0.00 -0.40 0.00 0.00 0.00 175.76 174.80 1np1 n ASP 113 N 0.20 0.00 0.31 0.00 5.68 0.27 -4.97 116.55 118.05 1np1 n ASP 113 Ca -0.14 -0.57 0.19 0.00 -0.50 0.00 0.00 54.79 53.77 1np1 n ASP 113 Cb 0.61 0.00 1.04 0.00 -1.14 0.00 0.00 41.12 41.63 1np1 n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1np1 h ASP 114 N 0.00 0.00 0.00 -1.12 5.19 -2.02 -3.27 116.42 115.20 1np1 h ASP 114 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1np1 h ASP 114 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1np1 h ASP 114 CO 0.00 0.01 -1.01 -1.20 -3.12 0.00 0.00 179.24 173.92 1np1 n SER 115 N -3.39 4.96 -3.98 6.45 7.64 -1.26 -4.89 113.62 119.15 1np1 n SER 115 Ca -0.03 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 1np1 n SER 115 Cb 0.10 0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 64.15 1np1 n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1np1 s SER 116 N -2.23 -0.05 0.15 6.43 1.04 -1.24 -1.75 113.70 116.06 1np1 s SER 116 Ca -0.00 -0.92 -0.20 0.00 0.48 0.00 0.00 55.95 55.31 1np1 s SER 116 Cb 0.00 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1np1 s SER 116 CO 0.01 -1.04 0.52 0.00 0.98 0.00 0.00 173.24 173.71 1np1 s ALA 117 N -4.00 -1.28 -0.07 5.32 0.00 -0.95 -0.57 121.76 120.21 1np1 s ALA 117 Ca 0.21 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1np1 s ALA 117 Cb 0.01 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1np1 s ALA 117 CO 0.06 -0.73 -0.04 -1.17 0.00 0.00 0.00 175.76 173.87 1np1 s LEU 118 N -2.79 1.07 0.08 0.00 2.96 0.49 -0.90 118.68 119.60 1np1 s LEU 118 Ca 0.03 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1np1 s LEU 118 Cb -0.00 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 1np1 s LEU 118 CO -0.11 -0.11 -0.10 0.27 -1.32 0.00 0.00 176.35 174.98 1np1 s ILE 119 N 1.43 0.90 -0.03 6.68 -4.36 -1.01 -0.40 121.20 124.41 1np1 s ILE 119 Ca -0.02 -1.50 0.03 0.00 -0.26 0.00 0.00 60.65 58.89 1np1 s ILE 119 Cb -0.13 -1.20 -0.03 0.00 1.25 0.00 0.00 42.46 42.35 1np1 s ILE 119 CO -0.03 -0.48 -0.09 -2.28 0.24 0.00 0.00 174.94 172.30 1np1 s HIS 120 N -2.10 2.84 0.04 1.37 5.65 -0.17 -1.40 115.29 121.51 1np1 s HIS 120 Ca 0.02 -0.06 0.03 0.00 0.25 0.00 0.00 55.06 55.31 1np1 s HIS 120 Cb -0.05 -1.64 -0.02 0.00 -1.18 0.00 0.00 32.58 29.69 1np1 s HIS 120 CO 0.00 0.31 -0.10 0.95 -0.65 0.00 0.00 174.74 175.25 1np1 s THR 121 N -0.87 0.79 -0.16 0.89 -4.23 0.07 -1.34 115.64 110.79 1np1 s THR 121 Ca 0.14 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1np1 s THR 121 Cb -0.11 -0.76 0.04 0.00 1.34 0.00 0.00 72.50 73.01 1np1 s THR 121 CO 0.04 -0.14 -0.05 0.00 -0.54 0.00 0.00 174.62 173.93 1np1 s LEU 123 N 1.66 4.11 -0.19 0.00 2.96 -1.24 -1.50 118.68 124.48 1np1 s LEU 123 Ca 0.01 0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1np1 s LEU 123 Cb -0.15 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.92 1np1 s LEU 123 CO -0.08 -0.18 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.40 1np1 s HIS 124 N 1.75 2.88 -0.08 5.38 5.65 0.18 -0.35 115.29 130.71 1np1 s HIS 124 Ca 0.21 -1.04 -0.01 0.00 0.25 0.00 0.00 55.06 54.47 1np1 s HIS 124 Cb -0.15 -2.01 0.03 0.00 -1.18 0.00 0.00 32.58 29.27 1np1 s HIS 124 CO 0.09 -0.54 -0.01 0.21 -0.65 0.00 0.00 174.74 173.84 1np1 s LYS 125 N 1.20 0.72 -0.70 2.88 2.20 -0.57 -0.93 119.74 124.55 1np1 s LYS 125 Ca 0.02 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 1np1 s LYS 125 Cb -0.14 -1.05 0.00 0.00 -1.51 0.00 0.00 37.83 35.13 1np1 s LYS 125 CO -0.04 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1np1 n GLY 126 N 5.12 0.45 2.38 5.54 0.00 -0.29 -3.37 105.19 115.03 1np1 n GLY 126 Ca -0.08 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1np1 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1np1 n ASN 127 N 0.69 -2.94 -3.64 1.61 4.13 -0.86 -5.00 115.26 109.24 1np1 n ASN 127 Ca -0.08 -0.30 -0.09 0.00 1.68 0.00 0.00 54.58 55.79 1np1 n ASN 127 Cb 0.43 -2.84 -0.07 0.00 -1.54 0.00 0.00 39.78 35.75 1np1 n ASN 127 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1np1 s LYS 128 N -5.10 0.72 0.02 3.52 0.00 -1.22 -5.14 119.74 112.55 1np1 s LYS 128 Ca 0.12 1.15 -0.30 0.00 0.00 0.00 0.00 55.97 56.94 1np1 s LYS 128 Cb -0.05 0.19 -0.05 0.00 0.00 0.00 0.00 37.83 37.91 1np1 s LYS 128 CO 0.37 -0.14 1.31 -0.51 0.00 0.00 0.00 175.35 176.39 1np1 s ASP 129 N 1.32 6.94 0.00 0.03 1.11 -1.26 -1.51 116.67 123.30 1np1 s ASP 129 Ca -0.08 2.07 0.27 0.00 0.18 0.00 0.00 52.55 54.99 1np1 s ASP 129 Cb -0.05 -2.57 0.90 0.00 1.07 0.00 0.00 42.92 42.27 1np1 s ASP 129 CO -0.15 -0.63 1.65 0.18 1.18 0.00 0.00 175.17 177.41 1np1 n LEU 130 N 4.79 1.37 0.00 1.23 4.32 0.53 -3.71 117.00 125.52 1np1 n LEU 130 Ca 0.11 -0.43 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 1np1 n LEU 130 Cb 0.45 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 1np1 n LEU 130 CO 0.57 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.59 1np1 n GLY 131 N 1.25 1.05 3.81 -0.72 0.00 -1.26 -4.71 105.19 104.60 1np1 n GLY 131 Ca 0.16 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1np1 n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1np1 s ASP 132 N -0.42 6.26 -0.24 1.61 1.01 -1.26 -3.68 116.67 119.95 1np1 s ASP 132 Ca 0.00 1.79 -0.09 0.00 0.71 0.00 0.00 52.55 54.97 1np1 s ASP 132 Cb 0.00 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.50 1np1 s ASP 132 CO 0.00 -0.83 0.53 -0.22 0.21 0.00 0.00 175.17 174.85 1np1 s LEU 133 N -3.92 -0.86 -0.03 1.23 0.20 -0.95 -2.10 118.68 112.24 1np1 s LEU 133 Ca 0.64 1.26 -0.03 0.00 0.69 0.00 0.00 54.13 56.69 1np1 s LEU 133 Cb -0.14 1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 47.38 1np1 s LEU 133 CO 0.27 -0.23 0.13 -0.31 -0.29 0.00 0.00 176.35 175.92 1np1 s TYR 134 N 2.68 3.44 -0.01 5.38 2.02 0.42 -0.75 117.35 130.52 1np1 s TYR 134 Ca -0.04 0.33 0.02 0.00 -0.37 0.00 0.00 57.07 57.01 1np1 s TYR 134 Cb -0.12 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1np1 s TYR 134 CO -0.16 0.62 -0.07 0.00 -1.57 0.00 0.00 175.55 174.37 1np1 s ALA 135 N -1.19 0.65 -0.16 3.71 0.00 -0.50 -1.00 121.76 123.27 1np1 s ALA 135 Ca 0.22 -0.27 -0.13 0.00 0.00 0.00 0.00 51.96 51.78 1np1 s ALA 135 Cb -0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1np1 s ALA 135 CO 0.13 0.12 0.27 0.08 0.00 0.00 0.00 175.76 176.36 1np1 s VAL 136 N 0.06 5.32 0.15 0.00 1.01 0.11 -2.40 120.40 124.64 1np1 s VAL 136 Ca -0.00 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.56 1np1 s VAL 136 Cb -0.06 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1np1 s VAL 136 CO -0.00 0.41 -0.08 -0.76 0.00 0.00 0.00 175.10 174.67 1np1 s LEU 137 N 0.32 3.06 -0.03 3.92 1.43 -0.08 -1.18 118.68 126.12 1np1 s LEU 137 Ca 0.16 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1np1 s LEU 137 Cb -0.13 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1np1 s LEU 137 CO 0.04 0.13 0.21 0.21 0.23 0.00 0.00 176.35 177.16 1np1 s ASN 138 N -2.61 -0.11 0.31 2.29 3.84 0.23 -2.23 114.94 116.65 1np1 s ASN 138 Ca 0.24 0.07 0.25 0.00 0.21 0.00 0.00 52.86 53.63 1np1 s ASN 138 Cb -0.10 0.31 1.09 0.00 -0.55 0.00 0.00 41.25 42.01 1np1 s ASN 138 CO 0.15 -0.31 1.75 0.03 -2.79 0.00 0.00 177.10 175.93 1np1 h ARG 139 N 4.61 0.00 -4.77 0.43 2.47 -1.59 0.74 114.38 116.27 1np1 h ARG 139 Ca -0.29 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.85 1np1 h ARG 139 Cb 1.19 0.00 -0.34 0.00 -1.65 0.00 0.00 29.97 29.17 1np1 h ARG 139 CO 0.39 0.00 -0.84 1.21 0.56 0.00 0.00 179.97 181.29 1np1 s ASN 140 N -4.37 2.41 0.07 7.04 3.84 -1.26 -4.84 114.94 117.83 1np1 s ASN 140 Ca 0.02 -0.42 0.16 0.00 0.21 0.00 0.00 52.86 52.83 1np1 s ASN 140 Cb 0.09 -1.09 0.68 0.00 -0.55 0.00 0.00 41.25 40.38 1np1 s ASN 140 CO 0.37 0.03 1.50 2.29 -2.79 0.00 0.00 177.10 178.50 1np1 n LYS 141 N 4.09 0.05 -0.27 0.43 2.85 -1.26 -2.97 118.16 121.08 1np1 n LYS 141 Ca -0.20 0.32 0.07 0.00 -1.05 0.00 0.00 58.31 57.46 1np1 n LYS 141 Cb 0.51 -1.61 0.19 0.00 -0.65 0.00 0.00 35.03 33.48 1np1 n LYS 141 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1np1 n ASP 142 N -1.71 3.20 -4.77 -5.58 8.00 -1.26 -4.90 116.55 109.54 1np1 n ASP 142 Ca 0.03 -2.72 -0.37 0.00 0.71 0.00 0.00 54.79 52.43 1np1 n ASP 142 Cb 0.17 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1np1 n ASP 142 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1np1 s THR 143 N -2.28 5.21 0.48 -3.53 2.01 -1.16 -5.07 115.64 111.29 1np1 s THR 143 Ca 0.32 0.71 -0.16 0.00 0.31 0.00 0.00 61.69 62.86 1np1 s THR 143 Cb 0.25 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 1np1 s THR 143 CO 0.08 0.45 0.94 0.20 -0.69 0.00 0.00 174.62 175.60 1np1 s ASN 144 N -0.08 6.67 0.18 3.53 0.01 -1.26 -4.99 114.94 119.01 1np1 s ASN 144 Ca 0.21 1.51 -0.33 0.00 -0.71 0.00 0.00 52.86 53.54 1np1 s ASN 144 Cb -0.15 -2.48 -0.13 0.00 0.41 0.00 0.00 41.25 38.91 1np1 s ASN 144 CO 0.08 -0.50 1.67 0.00 -1.51 0.00 0.00 177.10 176.84 1np1 n ALA 145 N -1.32 2.17 -1.96 0.60 0.00 -1.26 -4.99 120.51 113.75 1np1 n ALA 145 Ca 0.06 0.42 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 1np1 n ALA 145 Cb 0.54 -2.45 0.18 0.00 0.00 0.00 0.00 19.45 17.71 1np1 n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1np1 s GLY 146 N 1.16 1.79 0.33 0.00 0.00 -1.26 -4.92 107.32 104.42 1np1 s GLY 146 Ca 0.77 -1.46 0.13 0.00 0.00 0.00 0.00 44.72 44.17 1np1 s GLY 146 CO 0.35 -0.70 1.71 -0.55 0.00 0.00 0.00 173.10 173.91 1np1 h ASP 147 N -1.38 0.00 -0.08 1.64 3.32 -1.98 -2.23 116.42 115.71 1np1 h ASP 147 Ca -0.41 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1np1 h ASP 147 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1np1 h ASP 147 CO 0.35 0.49 -0.02 0.11 -1.72 0.00 0.00 179.24 178.45 1np1 h LYS 148 N 0.00 0.15 0.00 3.56 1.57 -2.00 -1.36 116.57 118.49 1np1 h LYS 148 Ca -0.00 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1np1 h LYS 148 Cb 0.90 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1np1 h LYS 148 CO 0.06 0.47 -0.53 -0.39 -0.57 0.00 0.00 179.45 178.49 1np1 h VAL 149 N -0.19 1.28 -0.13 0.50 -1.51 -1.95 -2.70 116.25 111.56 1np1 h VAL 149 Ca 0.02 -1.89 -0.11 0.00 -1.23 0.00 0.00 66.70 63.48 1np1 h VAL 149 Cb 0.41 2.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1np1 h VAL 149 CO 0.01 0.52 -0.42 0.11 -1.23 0.00 0.00 177.57 176.56 1np1 h LYS 150 N 0.00 0.30 -0.57 5.19 1.57 -1.37 -1.30 116.57 120.39 1np1 h LYS 150 Ca -0.01 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1np1 h LYS 150 Cb 1.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1np1 h LYS 150 CO 0.07 0.67 0.03 0.78 -0.57 0.00 0.00 179.45 180.43 1np1 h GLY 151 N 1.21 1.04 1.04 3.86 0.00 -1.05 -2.06 103.07 107.11 1np1 h GLY 151 Ca 0.02 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1np1 h GLY 151 CO 0.07 0.66 0.27 0.00 0.00 0.00 0.00 176.54 177.54 1np1 h ALA 152 N 1.13 0.97 -0.60 3.60 0.00 -1.16 0.61 119.26 123.82 1np1 h ALA 152 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1np1 h ALA 152 Cb 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1np1 h ALA 152 CO 0.02 0.62 0.20 0.28 0.00 0.00 0.00 179.25 180.37 1np1 h VAL 153 N 1.09 1.24 -0.27 0.00 2.07 -1.10 -2.15 116.25 117.12 1np1 h VAL 153 Ca 0.25 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1np1 h VAL 153 Cb 0.25 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1np1 h VAL 153 CO -0.02 0.30 0.08 0.74 0.02 0.00 0.00 177.57 178.70 1np1 h THR 154 N 0.85 1.20 -0.01 2.57 2.02 -0.69 -2.35 112.91 116.49 1np1 h THR 154 Ca 0.19 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1np1 h THR 154 Cb 0.27 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1np1 h THR 154 CO -0.01 0.21 0.05 0.00 0.37 0.00 0.00 175.52 176.15 1np1 h ALA 155 N 0.91 1.18 -0.43 6.16 0.00 0.49 -0.87 119.26 126.70 1np1 h ALA 155 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1np1 h ALA 155 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1np1 h ALA 155 CO -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1np1 n ALA 156 N -2.11 2.78 -2.15 0.00 0.00 -0.83 -4.90 120.51 113.29 1np1 n ALA 156 Ca -0.03 -0.97 -0.20 0.00 0.00 0.00 0.00 53.44 52.25 1np1 n ALA 156 Cb 0.13 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1np1 n ALA 156 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1np1 n SER 157 N 0.70 -5.55 -4.96 0.00 7.64 -0.33 -5.00 113.62 106.12 1np1 n SER 157 Ca 0.16 0.16 -0.19 0.00 1.01 0.00 0.00 58.87 60.01 1np1 n SER 157 Cb 0.56 -4.71 -0.01 0.00 -1.01 0.00 0.00 64.21 59.04 1np1 n SER 157 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1np1 s LEU 158 N -5.58 3.83 -0.21 -3.43 1.02 -0.93 -5.05 118.68 108.33 1np1 s LEU 158 Ca 0.00 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 53.86 1np1 s LEU 158 Cb 0.00 -2.61 0.04 0.00 0.02 0.00 0.00 46.19 43.64 1np1 s LEU 158 CO 0.00 -0.48 -0.16 -0.54 0.02 0.00 0.00 176.35 175.19 1np1 s LYS 159 N -4.16 2.69 0.49 1.70 1.02 -1.26 -4.22 119.74 115.99 1np1 s LYS 159 Ca 0.46 -1.04 0.20 0.00 0.02 0.00 0.00 55.97 55.61 1np1 s LYS 159 Cb -0.09 -2.71 1.25 0.00 -0.52 0.00 0.00 37.83 35.76 1np1 s LYS 159 CO 0.30 -0.36 2.00 0.35 -0.92 0.00 0.00 175.35 176.73 1np1 h PHE 160 N 7.87 0.17 0.00 3.18 3.57 -1.93 -0.44 116.94 129.36 1np1 h PHE 160 Ca -0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1np1 h PHE 160 Cb 1.10 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1np1 h PHE 160 CO 0.54 0.07 0.00 0.66 -2.23 0.00 0.00 178.31 177.36 1np1 h SER 161 N 0.15 0.00 1.14 0.41 4.64 -2.03 0.64 113.55 118.51 1np1 h SER 161 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1np1 h SER 161 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1np1 h SER 161 CO -0.03 0.00 -0.43 0.44 -0.87 0.00 0.00 176.83 175.94 1np1 h ASP 162 N 0.00 0.00 -3.93 4.97 3.32 -1.49 -3.46 116.42 115.83 1np1 h ASP 162 Ca 0.00 -0.12 -0.47 0.00 0.02 0.00 0.00 57.03 56.46 1np1 h ASP 162 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1np1 h ASP 162 CO 0.00 0.06 0.38 -0.36 -1.72 0.00 0.00 179.24 177.60 1np1 s PHE 163 N -3.17 3.47 -0.12 4.55 0.40 0.21 -4.82 117.98 118.50 1np1 s PHE 163 Ca 0.07 1.70 -0.04 0.00 -0.60 0.00 0.00 56.93 58.06 1np1 s PHE 163 Cb 0.12 -3.03 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 1np1 s PHE 163 CO 0.69 -0.23 0.02 0.42 0.70 0.00 0.00 175.22 176.81 1np1 s ILE 164 N -1.65 4.42 0.39 0.64 1.01 0.60 -4.86 121.20 121.75 1np1 s ILE 164 Ca 0.54 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.89 1np1 s ILE 164 Cb -0.20 -2.91 -0.07 0.00 0.01 0.00 0.00 42.46 39.29 1np1 s ILE 164 CO 0.26 0.55 0.77 -0.44 0.00 0.00 0.00 174.94 176.08 1np1 s SER 165 N -0.34 6.58 0.00 3.58 0.01 -1.26 -0.71 113.70 121.56 1np1 s SER 165 Ca 0.07 1.18 0.11 0.00 1.31 0.00 0.00 55.95 58.63 1np1 s SER 165 Cb -0.12 -2.34 0.12 0.00 0.21 0.00 0.00 66.02 63.89 1np1 s SER 165 CO 0.02 -0.37 0.91 0.35 0.41 0.00 0.00 173.24 174.57 1np1 n THR 166 N -1.11 0.13 0.25 1.44 -2.24 -0.27 -4.71 114.28 107.78 1np1 n THR 166 Ca 0.03 -0.57 0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1np1 n THR 166 Cb 0.54 1.14 0.76 0.00 -2.10 0.00 0.00 70.33 70.67 1np1 n THR 166 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1np1 h LYS 167 N 2.22 0.00 0.00 -0.78 3.64 -1.91 -3.06 116.57 116.68 1np1 h LYS 167 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1np1 h LYS 167 Cb 0.51 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1np1 h LYS 167 CO 0.00 0.00 -2.05 -0.25 -2.27 0.00 0.00 179.45 174.88 1np1 n ASP 168 N -4.22 0.16 0.00 4.20 9.92 -1.26 -4.57 116.55 120.78 1np1 n ASP 168 Ca -0.02 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1np1 n ASP 168 Cb 0.14 1.24 0.00 0.00 -0.64 0.00 0.00 41.12 41.85 1np1 n ASP 168 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1np1 n ASN 169 N -2.58 0.00 -2.48 -2.24 3.02 -1.16 -4.72 115.26 105.09 1np1 n ASN 169 Ca -0.17 0.11 -0.10 0.00 -0.03 0.00 0.00 54.58 54.38 1np1 n ASN 169 Cb 0.87 -0.11 0.05 0.00 -0.61 0.00 0.00 39.78 39.98 1np1 n ASN 169 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1np1 n LYS 170 N -1.08 -4.05 -2.40 3.52 5.02 -1.26 -4.77 118.16 113.13 1np1 n LYS 170 Ca 0.00 0.52 -0.39 0.00 -2.02 0.00 0.00 58.31 56.42 1np1 n LYS 170 Cb 0.36 -4.56 -0.03 0.00 -0.02 0.00 0.00 35.03 30.78 1np1 n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1np1 s GLU 172 N -1.97 1.86 0.06 0.00 0.41 -1.26 -5.14 118.70 112.66 1np1 s GLU 172 Ca 0.52 -0.94 0.07 0.00 -0.41 0.00 0.00 54.97 54.20 1np1 s GLU 172 Cb -0.30 -1.88 -0.03 0.00 -1.78 0.00 0.00 34.13 30.14 1np1 s GLU 172 CO 0.38 0.50 -0.18 0.71 -0.49 0.00 0.00 175.26 176.18 1np1 s TYR 173 N -0.66 1.60 -0.72 1.61 2.02 -1.26 -4.95 117.35 114.98 1np1 s TYR 173 Ca 0.10 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1np1 s TYR 173 Cb -0.09 -0.93 0.18 0.00 -0.40 0.00 0.00 41.96 40.71 1np1 s TYR 173 CO 0.00 0.10 0.54 0.34 -1.57 0.00 0.00 175.55 174.96 1np1 s ASP 174 N -1.36 5.26 0.06 2.29 2.15 -1.26 -4.93 116.67 118.88 1np1 s ASP 174 Ca 0.05 -3.43 -0.18 0.00 0.43 0.00 0.00 52.55 49.42 1np1 s ASP 174 Cb -0.09 -1.79 -0.12 0.00 -0.30 0.00 0.00 42.92 40.62 1np1 s ASP 174 CO 0.02 -0.21 1.38 0.78 -0.17 0.00 0.00 175.17 176.96 1np1 h ASN 175 N 6.19 0.51 -0.06 -0.34 -0.26 -1.98 -2.50 115.58 117.13 1np1 h ASN 175 Ca 0.08 -0.47 0.04 0.00 -0.56 0.00 0.00 56.30 55.38 1np1 h ASN 175 Cb 0.85 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 37.91 1np1 h ASN 175 CO 0.76 0.88 -0.31 0.58 -1.06 0.00 0.00 177.43 178.28 1np1 h VAL 176 N 0.15 0.32 -0.61 2.81 2.07 -1.99 0.40 116.25 119.39 1np1 h VAL 176 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1np1 h VAL 176 Cb 0.73 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1np1 h VAL 176 CO 0.05 0.00 0.38 0.28 0.02 0.00 0.00 177.57 178.29 1np1 h SER 177 N -0.42 0.62 -0.16 0.57 0.02 -1.90 -0.24 113.55 112.03 1np1 h SER 177 Ca 0.08 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1np1 h SER 177 Cb 0.54 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 1np1 h SER 177 CO -0.30 0.43 -0.14 0.25 -1.14 0.00 0.00 176.83 175.94 1np1 h LEU 178 N 0.74 -0.44 -0.78 5.07 5.85 -0.92 -0.50 115.31 124.35 1np1 h LEU 178 Ca 0.25 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.93 1np1 h LEU 178 Cb 0.02 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1np1 h LEU 178 CO -0.10 -0.18 -0.51 0.11 -0.34 0.00 0.00 178.44 177.42 1np1 h LYS 179 N -0.15 0.24 0.00 1.25 1.57 -0.49 -3.16 116.57 115.83 1np1 h LYS 179 Ca 0.10 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1np1 h LYS 179 Cb 0.30 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1np1 h LYS 179 CO -0.25 0.70 -0.50 0.66 -0.57 0.00 0.00 179.45 179.49 1np1 h SER 180 N 0.19 0.00 0.44 0.86 4.64 -0.56 -2.90 113.55 116.22 1np1 h SER 180 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1np1 h SER 180 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1np1 h SER 180 CO 0.08 0.50 0.00 0.18 -0.87 0.00 0.00 176.83 176.72 1np1 n LEU 181 N -3.39 0.00 0.21 5.97 4.77 -0.24 -2.91 117.00 121.41 1np1 n LEU 181 Ca 0.01 0.37 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1np1 n LEU 181 Cb 0.65 -0.37 0.46 0.00 -2.33 0.00 0.00 43.42 41.83 1np1 n LEU 181 CO 0.40 -0.15 0.78 0.25 -1.33 0.00 0.00 177.39 177.34 1np1 h LEU 182 N 0.00 0.00 -0.00 2.23 5.85 -1.58 -3.26 115.31 118.55 1np1 h LEU 182 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1np1 h LEU 182 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1np1 h LEU 182 CO 0.00 0.30 -0.18 0.71 -0.34 0.00 0.00 178.44 178.93 1np1 h THR 183 N 0.00 1.57 -0.03 1.05 1.35 -1.74 -3.44 112.91 111.66 1np1 h THR 183 Ca -0.00 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 1np1 h THR 183 Cb 0.64 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 1np1 h THR 183 CO 0.04 0.52 0.00 2.29 -0.25 0.00 0.00 175.52 178.11