#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o2a n ALA 0 N 0.00 0.00 -3.71 0.00 0.00 -1.26 -5.16 120.51 110.38 2o2a n ALA 0 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2o2a n ALA 0 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2o2a n ALA 0 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2o2a s GLU 2 N 0.00 0.16 -0.06 0.00 2.12 -1.26 -5.19 118.70 114.47 2o2a s GLU 2 Ca 0.00 0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.59 2o2a s GLU 2 Cb 0.00 -0.59 0.01 0.00 0.26 0.00 0.00 34.13 33.81 2o2a s GLU 2 CO 0.00 -0.27 -0.10 0.08 -0.54 0.00 0.00 175.26 174.42 2o2a s VAL 3 N 1.81 0.98 -0.28 3.70 1.01 -1.26 -0.79 120.40 125.57 2o2a s VAL 3 Ca 0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2o2a s VAL 3 Cb -0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2o2a s VAL 3 CO -0.03 0.32 0.18 -0.63 0.00 0.00 0.00 175.10 174.94 2o2a s ILE 4 N 0.64 5.23 -0.03 2.22 1.01 -0.53 -4.96 121.20 124.78 2o2a s ILE 4 Ca -0.12 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.68 2o2a s ILE 4 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2o2a s ILE 4 CO 0.03 0.24 -0.12 -0.13 0.00 0.00 0.00 174.94 174.96 2o2a s ARG 5 N 1.75 2.51 0.67 2.79 0.52 -1.26 -0.74 118.95 125.18 2o2a s ARG 5 Ca 0.07 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 2o2a s ARG 5 Cb -0.16 -2.42 0.05 0.00 0.52 0.00 0.00 34.95 32.95 2o2a s ARG 5 CO 0.10 0.62 0.96 -1.21 0.02 0.00 0.00 175.30 175.79 2o2a s GLU 6 N -0.96 2.27 0.03 3.54 2.02 -1.26 -5.00 118.70 119.34 2o2a s GLU 6 Ca 0.13 -0.39 -0.36 0.00 0.02 0.00 0.00 54.97 54.37 2o2a s GLU 6 Cb -0.11 -2.25 -0.15 0.00 0.10 0.00 0.00 34.13 31.72 2o2a s GLU 6 CO 0.03 -1.12 1.54 0.94 0.02 0.00 0.00 175.26 176.67 2o2a n GLN 7 N -2.78 1.58 -1.60 1.61 7.27 -1.26 -4.92 117.38 117.28 2o2a n GLN 7 Ca 0.08 0.57 -0.42 0.00 0.07 0.00 0.00 57.00 57.30 2o2a n GLN 7 Cb 0.60 -2.28 0.01 0.00 2.41 0.00 0.00 30.24 30.97 2o2a n GLN 7 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2o2a n GLU 8 N 3.75 1.32 -4.31 3.69 4.71 -1.26 -4.84 120.64 123.70 2o2a n GLU 8 Ca 0.20 0.47 -0.31 0.00 -0.01 0.00 0.00 57.16 57.51 2o2a n GLU 8 Cb 0.22 -1.98 -0.16 0.00 -1.01 0.00 0.00 31.44 28.51 2o2a n GLU 8 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 2o2a s PHE 9 N -1.25 2.41 -0.60 -0.32 5.36 0.11 -5.01 117.98 118.68 2o2a s PHE 9 Ca 0.62 -1.30 -0.20 0.00 -0.96 0.00 0.00 56.93 55.09 2o2a s PHE 9 Cb -0.59 -1.70 0.08 0.00 -0.34 0.00 0.00 43.02 40.48 2o2a s PHE 9 CO 0.58 -0.65 0.79 0.08 -1.46 0.00 0.00 175.22 174.55 2o2a s VAL 10 N 1.16 4.65 0.09 3.12 1.01 -1.26 -0.49 120.40 128.67 2o2a s VAL 10 Ca -0.01 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 2o2a s VAL 10 Cb -0.14 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.61 2o2a s VAL 10 CO -0.07 -1.19 1.40 0.78 0.00 0.00 0.00 175.10 176.02 2o2a h ASN 11 N 9.29 0.73 -3.72 3.32 2.35 -1.46 -3.47 115.58 122.62 2o2a h ASN 11 Ca -0.29 -0.49 -0.04 0.00 -0.55 0.00 0.00 56.30 54.93 2o2a h ASN 11 Cb 1.08 -0.21 -0.21 0.00 0.05 0.00 0.00 38.32 39.03 2o2a h ASN 11 CO 1.11 1.08 0.06 -1.58 -1.65 0.00 0.00 177.43 176.44 2o2a s GLN 12 N -4.28 0.76 -0.19 0.81 0.74 -0.60 -4.92 119.66 111.98 2o2a s GLN 12 Ca -0.12 1.01 -0.04 0.00 0.05 0.00 0.00 55.36 56.26 2o2a s GLN 12 Cb 0.08 0.31 0.09 0.00 1.10 0.00 0.00 33.01 34.59 2o2a s GLN 12 CO 0.83 -0.11 0.20 -0.47 -0.55 0.00 0.00 175.29 175.19 2o2a s TYR 13 N 0.70 -0.20 -0.16 1.67 6.14 -1.26 -1.28 117.35 122.96 2o2a s TYR 13 Ca -0.03 0.16 -0.03 0.00 0.64 0.00 0.00 57.07 57.82 2o2a s TYR 13 Cb -0.05 -0.40 -0.02 0.00 0.42 0.00 0.00 41.96 41.91 2o2a s TYR 13 CO -0.05 -0.57 -0.06 -1.01 0.64 0.00 0.00 175.55 174.50 2o2a s HIS 14 N 2.30 2.95 -0.19 4.97 3.76 0.17 -4.98 115.29 124.26 2o2a s HIS 14 Ca 0.06 -0.54 -0.05 0.00 -0.15 0.00 0.00 55.06 54.38 2o2a s HIS 14 Cb -0.16 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 2o2a s HIS 14 CO -0.11 -0.20 -0.01 -0.47 -0.85 0.00 0.00 174.74 173.09 2o2a s TYR 15 N 0.62 3.04 -0.06 1.40 6.14 -1.26 -0.79 117.35 126.44 2o2a s TYR 15 Ca -0.04 -0.41 0.02 0.00 0.64 0.00 0.00 57.07 57.28 2o2a s TYR 15 Cb -0.15 -2.05 0.01 0.00 0.42 0.00 0.00 41.96 40.19 2o2a s TYR 15 CO 0.03 -0.19 -0.12 -0.51 0.64 0.00 0.00 175.55 175.40 2o2a s ASP 16 N 0.84 1.71 0.47 4.32 1.01 -0.26 -5.02 116.67 119.74 2o2a s ASP 16 Ca 0.00 -0.28 -0.24 0.00 0.71 0.00 0.00 52.55 52.74 2o2a s ASP 16 Cb -0.14 -0.76 -0.08 0.00 1.01 0.00 0.00 42.92 42.95 2o2a s ASP 16 CO 0.02 0.04 1.28 0.00 0.21 0.00 0.00 175.17 176.72 2o2a n ALA 17 N 3.75 1.34 -1.71 5.23 0.00 -1.26 -0.31 120.51 127.55 2o2a n ALA 17 Ca -0.23 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2o2a n ALA 17 Cb 0.52 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 2o2a n ALA 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2o2a n ARG 18 N -0.30 2.54 -3.74 0.00 3.00 -0.19 -4.67 116.66 113.30 2o2a n ARG 18 Ca 0.08 0.91 -0.29 0.00 -0.00 0.00 0.00 57.85 58.55 2o2a n ARG 18 Cb 0.42 -2.70 -0.13 0.00 0.00 0.00 0.00 32.46 30.05 2o2a n ARG 18 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2o2a s ASN 19 N 0.80 3.70 0.27 6.15 3.84 -1.26 -4.95 114.94 123.49 2o2a s ASN 19 Ca 0.72 -2.77 0.08 0.00 0.21 0.00 0.00 52.86 51.10 2o2a s ASN 19 Cb -0.55 -1.12 0.34 0.00 -0.55 0.00 0.00 41.25 39.37 2o2a s ASN 19 CO 0.40 -0.25 1.61 -0.07 -2.79 0.00 0.00 177.10 176.01 2o2a h LEU 20 N 6.57 0.10 -0.97 3.21 4.07 -1.99 -2.61 115.31 123.68 2o2a h LEU 20 Ca 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 2o2a h LEU 20 Cb 0.91 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.58 2o2a h LEU 20 CO 0.52 0.67 0.48 -0.33 -1.08 0.00 0.00 178.44 178.70 2o2a h GLU 21 N 0.07 1.20 -0.19 1.13 4.39 -2.00 0.16 114.58 119.34 2o2a h GLU 21 Ca -0.01 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2o2a h GLU 21 Cb 1.06 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2o2a h GLU 21 CO 0.08 0.87 0.10 2.35 -1.16 0.00 0.00 179.01 181.25 2o2a h TRP 22 N 1.21 0.27 -0.26 4.33 2.91 -1.90 -3.08 115.95 119.43 2o2a h TRP 22 Ca 0.31 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.26 2o2a h TRP 22 Cb 0.01 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.56 2o2a h TRP 22 CO 0.01 0.28 -0.07 0.93 -1.03 0.00 0.00 178.44 178.56 2o2a h GLU 23 N 0.19 0.41 -0.44 2.65 5.08 -1.04 0.23 114.58 121.66 2o2a h GLU 23 Ca 0.07 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2o2a h GLU 23 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2o2a h GLU 23 CO -0.01 0.50 0.28 0.93 -1.00 0.00 0.00 179.01 179.71 2o2a h GLU 24 N 0.39 0.58 0.06 2.33 5.08 -0.89 0.16 114.58 122.30 2o2a h GLU 24 Ca 0.08 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 58.06 2o2a h GLU 24 Cb 0.37 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2o2a h GLU 24 CO 0.02 0.40 -1.94 0.39 -1.00 0.00 0.00 179.01 176.87 2o2a n GLU 25 N -4.46 0.70 0.00 2.33 -0.58 -0.67 -4.58 120.64 113.39 2o2a n GLU 25 Ca 0.04 0.25 0.03 0.00 -0.42 0.00 0.00 57.16 57.06 2o2a n GLU 25 Cb 0.06 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 2o2a n GLU 25 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2o2a n ASN 26 N -3.26 1.03 0.00 1.62 3.02 -0.02 -5.10 115.26 112.55 2o2a n ASN 26 Ca -0.27 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 2o2a n ASN 26 Cb 1.05 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 40.61 2o2a n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2o2a n GLY 27 N 0.65 2.44 3.68 7.41 0.00 0.55 -4.97 105.19 114.94 2o2a n GLY 27 Ca 0.03 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2o2a n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o2a s THR 28 N -2.24 4.86 0.74 2.61 2.01 -1.25 -4.43 115.64 117.93 2o2a s THR 28 Ca 0.00 1.73 -0.12 0.00 0.31 0.00 0.00 61.69 63.61 2o2a s THR 28 Cb 0.00 -4.18 0.04 0.00 0.01 0.00 0.00 72.50 68.37 2o2a s THR 28 CO 0.00 0.03 1.10 -2.16 -0.69 0.00 0.00 174.62 172.90 2o2a s PRO 29 N 2.08 2.39 -0.06 4.92 0.04 -1.26 -5.04 135.00 138.06 2o2a s PRO 29 Ca 0.41 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.78 2o2a s PRO 29 Cb -0.17 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2o2a s PRO 29 CO 0.14 -1.56 -0.23 0.15 0.04 0.00 0.00 177.00 175.54 2o2a s LYS 30 N -4.59 2.50 0.20 4.56 -0.14 -1.26 -4.97 119.74 116.04 2o2a s LYS 30 Ca 0.64 -0.85 -0.33 0.00 -1.36 0.00 0.00 55.97 54.07 2o2a s LYS 30 Cb -0.19 -2.08 -0.14 0.00 -1.68 0.00 0.00 37.83 33.75 2o2a s LYS 30 CO 0.51 0.32 1.46 2.41 -0.76 0.00 0.00 175.35 179.28 2o2a n THR 31 N 3.10 0.52 -3.63 2.17 -1.04 -1.26 -4.77 114.28 109.36 2o2a n THR 31 Ca -0.18 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.05 61.58 2o2a n THR 31 Cb 0.52 -1.42 -0.07 0.00 -1.82 0.00 0.00 70.33 67.54 2o2a n THR 31 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2o2a s ASN 32 N 0.52 -0.64 -0.06 8.00 2.47 0.40 -5.00 114.94 120.63 2o2a s ASN 32 Ca 0.74 1.24 0.04 0.00 0.42 0.00 0.00 52.86 55.30 2o2a s ASN 32 Cb -0.69 1.26 -0.00 0.00 -1.45 0.00 0.00 41.25 40.37 2o2a s ASN 32 CO 0.45 -0.21 -0.19 -0.36 -3.72 0.00 0.00 177.10 173.07 2o2a s PHE 33 N 0.34 1.98 -0.10 0.43 0.40 -1.26 -1.15 117.98 118.62 2o2a s PHE 33 Ca 0.01 -0.66 -0.00 0.00 -0.60 0.00 0.00 56.93 55.68 2o2a s PHE 33 Cb -0.05 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.17 2o2a s PHE 33 CO -0.02 -0.25 -0.07 -2.00 0.70 0.00 0.00 175.22 173.59 2o2a s GLU 34 N 0.18 1.37 -0.24 0.44 2.56 0.13 -5.01 118.70 118.13 2o2a s GLU 34 Ca -0.09 -0.21 -0.07 0.00 0.00 0.00 0.00 54.97 54.60 2o2a s GLU 34 Cb -0.14 -1.44 -0.03 0.00 2.00 0.00 0.00 34.13 34.52 2o2a s GLU 34 CO 0.04 -0.23 0.08 0.08 -0.56 0.00 0.00 175.26 174.67 2o2a s VAL 35 N 1.59 4.46 0.30 3.70 1.01 -1.26 -1.11 120.40 129.09 2o2a s VAL 35 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2o2a s VAL 35 Cb -0.13 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.12 2o2a s VAL 35 CO -0.06 0.36 0.08 0.42 0.00 0.00 0.00 175.10 175.89 2o2a s THR 36 N 1.38 0.88 0.04 3.92 -4.23 -0.02 -4.98 115.64 112.63 2o2a s THR 36 Ca 0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2o2a s THR 36 Cb -0.15 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 2o2a s THR 36 CO 0.04 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.70 2o2a s PHE 37 N -3.50 0.52 -0.26 3.99 0.08 -1.26 -0.43 117.98 117.13 2o2a s PHE 37 Ca 0.37 -0.54 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 2o2a s PHE 37 Cb 0.08 -0.33 0.08 0.00 -0.57 0.00 0.00 43.02 42.28 2o2a s PHE 37 CO 0.15 -0.13 0.04 -0.65 -0.10 0.00 0.00 175.22 174.52 2o2a s GLN 38 N -1.69 0.93 0.18 0.44 -0.21 0.69 -4.95 119.66 115.05 2o2a s GLN 38 Ca -0.11 -0.87 -0.32 0.00 0.02 0.00 0.00 55.36 54.08 2o2a s GLN 38 Cb -0.09 -2.21 -0.11 0.00 1.00 0.00 0.00 33.01 31.60 2o2a s GLN 38 CO -0.01 -0.78 1.69 -1.17 -2.12 0.00 0.00 175.29 172.90 2o2a s LEU 39 N 1.62 4.37 -0.23 2.90 1.98 -1.26 0.03 118.68 128.09 2o2a s LEU 39 Ca 0.03 2.76 -0.14 0.00 -2.89 0.00 0.00 54.13 53.88 2o2a s LEU 39 Cb -0.18 -3.59 -0.10 0.00 0.66 0.00 0.00 46.19 42.99 2o2a s LEU 39 CO -0.15 -0.93 -0.33 0.00 -1.89 0.00 0.00 176.35 173.05 2o2a n ALA 40 N 4.28 1.22 -3.39 5.97 0.00 0.38 -4.89 120.51 124.08 2o2a n ALA 40 Ca 0.15 -0.96 -0.15 0.00 0.00 0.00 0.00 53.44 52.48 2o2a n ALA 40 Cb 0.37 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 2o2a n ALA 40 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2o2a s ASN 41 N -6.91 -0.44 -0.16 0.00 2.47 -0.59 -4.97 114.94 104.34 2o2a s ASN 41 Ca -0.34 0.48 -0.00 0.00 0.42 0.00 0.00 52.86 53.42 2o2a s ASN 41 Cb 0.11 0.50 -0.01 0.00 -1.45 0.00 0.00 41.25 40.40 2o2a s ASN 41 CO 0.44 -0.49 -0.13 -0.13 -3.72 0.00 0.00 177.10 173.07 2o2a s ARG 42 N -1.09 3.28 -0.83 0.43 0.52 -1.26 0.10 118.95 120.10 2o2a s ARG 42 Ca -0.11 -0.72 -0.16 0.00 -0.52 0.00 0.00 55.73 54.22 2o2a s ARG 42 Cb -0.03 -2.68 0.17 0.00 0.52 0.00 0.00 34.95 32.94 2o2a s ARG 42 CO 0.06 0.03 0.89 0.34 0.02 0.00 0.00 175.30 176.65 2o2a s ASP 43 N 0.79 6.62 0.18 0.23 -1.08 0.30 -4.92 116.67 118.80 2o2a s ASP 43 Ca -0.05 -2.27 -0.22 0.00 -0.52 0.00 0.00 52.55 49.50 2o2a s ASP 43 Cb -0.15 -2.29 0.10 0.00 -1.46 0.00 0.00 42.92 39.12 2o2a s ASP 43 CO 0.01 -0.83 1.58 -0.08 0.52 0.00 0.00 175.17 176.37 2o2a h GLU 44 N 8.38 -0.18 -0.44 4.34 4.57 -1.97 0.72 114.58 130.01 2o2a h GLU 44 Ca 0.06 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 2o2a h GLU 44 Cb 1.04 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 2o2a h GLU 44 CO 0.94 -0.12 -0.01 0.00 -1.18 0.00 0.00 179.01 178.63 2o2a h ALA 45 N 0.91 0.59 0.00 2.92 0.00 -1.97 -3.19 119.26 118.52 2o2a h ALA 45 Ca 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2o2a h ALA 45 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2o2a h ALA 45 CO -0.66 0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.98 2o2a h ALA 46 N 0.90 1.00 -6.01 0.00 0.00 -1.85 -3.47 119.26 109.82 2o2a h ALA 46 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.64 2o2a h ALA 46 Cb 0.51 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.39 2o2a h ALA 46 CO 0.03 0.00 -0.86 1.63 0.00 0.00 0.00 179.25 180.04 2o2a n LYS 47 N -2.83 -3.63 -4.66 0.00 5.02 0.25 -4.66 118.16 107.65 2o2a n LYS 47 Ca 0.04 0.62 -0.25 0.00 -2.02 0.00 0.00 58.31 56.71 2o2a n LYS 47 Cb 0.49 -5.04 -0.16 0.00 -0.02 0.00 0.00 35.03 30.29 2o2a n LYS 47 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2o2a s VAL 48 N -3.58 1.22 -0.21 -0.18 1.01 -0.92 -0.39 120.40 117.36 2o2a s VAL 48 Ca 0.18 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2o2a s VAL 48 Cb -0.05 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2o2a s VAL 48 CO 0.81 0.37 -0.00 -0.89 0.00 0.00 0.00 175.10 175.39 2o2a s THR 49 N 0.49 3.90 -0.16 3.92 2.01 -0.79 0.11 115.64 125.12 2o2a s THR 49 Ca -0.12 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 2o2a s THR 49 Cb -0.15 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 2o2a s THR 49 CO 0.04 0.42 0.23 -0.44 -0.69 0.00 0.00 174.62 174.17 2o2a s SER 50 N 1.13 6.37 -0.23 3.53 0.01 0.28 -0.55 113.70 124.24 2o2a s SER 50 Ca 0.03 0.43 -0.13 0.00 1.31 0.00 0.00 55.95 57.59 2o2a s SER 50 Cb -0.14 -2.14 0.07 0.00 0.21 0.00 0.00 66.02 64.02 2o2a s SER 50 CO 0.01 0.17 0.56 -0.51 0.41 0.00 0.00 173.24 173.89 2o2a s ILE 51 N 0.17 -0.05 -0.25 1.44 2.07 -0.39 0.14 121.20 124.34 2o2a s ILE 51 Ca 0.14 0.04 -0.18 0.00 -1.41 0.00 0.00 60.65 59.24 2o2a s ILE 51 Cb -0.12 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 2o2a s ILE 51 CO 0.02 0.02 0.53 -0.69 -1.91 0.00 0.00 174.94 172.91 2o2a s VAL 52 N 1.59 5.06 0.00 4.00 1.01 0.10 -0.30 120.40 131.87 2o2a s VAL 52 Ca -0.10 0.92 -0.25 0.00 0.00 0.00 0.00 61.98 62.55 2o2a s VAL 52 Cb -0.07 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2o2a s VAL 52 CO -0.17 0.09 0.77 0.00 0.00 0.00 0.00 175.10 175.80 2o2a s ALA 53 N 2.25 3.33 -0.09 5.51 0.00 0.01 -0.22 121.76 132.55 2o2a s ALA 53 Ca 0.22 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2o2a s ALA 53 Cb -0.16 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.95 2o2a s ALA 53 CO 0.09 -0.03 -0.13 0.08 0.00 0.00 0.00 175.76 175.77 2o2a s VAL 54 N 0.37 1.30 -0.24 0.00 1.01 0.43 -1.22 120.40 122.05 2o2a s VAL 54 Ca 0.40 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2o2a s VAL 54 Cb -0.20 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2o2a s VAL 54 CO 0.22 0.40 -0.05 -0.22 0.00 0.00 0.00 175.10 175.45 2o2a s LEU 55 N 0.87 3.15 -0.19 3.92 2.96 0.48 -0.84 118.68 129.04 2o2a s LEU 55 Ca -0.10 -0.75 -0.06 0.00 -0.22 0.00 0.00 54.13 53.00 2o2a s LEU 55 Cb -0.15 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2o2a s LEU 55 CO 0.01 -0.11 0.04 -1.58 -1.32 0.00 0.00 176.35 173.39 2o2a s GLN 56 N 1.37 3.81 0.05 1.98 -0.44 -0.26 -0.82 119.66 125.35 2o2a s GLN 56 Ca 0.02 -0.43 0.03 0.00 -2.50 0.00 0.00 55.36 52.48 2o2a s GLN 56 Cb -0.16 -3.15 -0.03 0.00 -1.64 0.00 0.00 33.01 28.03 2o2a s GLN 56 CO -0.04 0.15 -0.09 -0.59 0.50 0.00 0.00 175.29 175.22 2o2a s PHE 57 N 0.66 0.80 -0.05 1.67 -0.71 0.14 -0.69 117.98 119.79 2o2a s PHE 57 Ca 0.02 -0.50 -0.00 0.00 -1.04 0.00 0.00 56.93 55.41 2o2a s PHE 57 Cb -0.14 -0.47 0.03 0.00 -1.21 0.00 0.00 43.02 41.23 2o2a s PHE 57 CO 0.02 -0.05 -0.02 0.08 -1.34 0.00 0.00 175.22 173.91 2o2a s VAL 58 N -1.38 0.39 -0.14 -2.49 1.01 -0.30 -1.68 120.40 115.81 2o2a s VAL 58 Ca -0.08 0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2o2a s VAL 58 Cb -0.10 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.82 2o2a s VAL 58 CO 0.01 0.22 -0.16 -0.63 0.00 0.00 0.00 175.10 174.54 2o2a s ILE 59 N 1.36 1.66 -0.16 2.22 1.01 0.12 -0.45 121.20 126.96 2o2a s ILE 59 Ca -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 2o2a s ILE 59 Cb -0.13 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2o2a s ILE 59 CO -0.02 0.47 -0.05 -0.69 0.00 0.00 0.00 174.94 174.65 2o2a s VAL 60 N 1.31 3.66 0.31 2.92 1.01 -1.26 -0.51 120.40 127.85 2o2a s VAL 60 Ca 0.02 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2o2a s VAL 60 Cb -0.13 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2o2a s VAL 60 CO -0.09 0.48 0.09 0.54 0.00 0.00 0.00 175.10 176.12 2o2a n ARG 61 N 3.78 0.76 -0.28 2.72 5.12 0.04 -4.85 116.66 123.95 2o2a n ARG 61 Ca -0.18 -2.54 -0.05 0.00 -1.93 0.00 0.00 57.85 53.15 2o2a n ARG 61 Cb 0.52 1.24 0.06 0.00 -1.16 0.00 0.00 32.46 33.13 2o2a n ARG 61 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2o2a h ASP 62 N 1.13 0.95 0.00 0.55 3.32 -2.03 -3.30 116.42 117.04 2o2a h ASP 62 Ca -0.24 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2o2a h ASP 62 Cb 0.89 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2o2a h ASP 62 CO 0.39 0.78 -0.79 -0.62 -1.72 0.00 0.00 179.24 177.28 2o2a n GLU 63 N -4.44 2.02 -3.62 3.56 1.02 -1.26 -4.77 120.64 113.15 2o2a n GLU 63 Ca 0.07 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 2o2a n GLU 63 Cb 0.10 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.26 2o2a n GLU 63 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2o2a s PHE 64 N -2.44 -0.28 -0.09 -0.32 -0.12 -1.24 -1.02 117.98 112.46 2o2a s PHE 64 Ca 0.04 0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.08 2o2a s PHE 64 Cb 0.11 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 2o2a s PHE 64 CO 0.60 -0.67 -0.20 0.08 -0.05 0.00 0.00 175.22 174.98 2o2a s VAL 65 N -3.19 1.79 -0.11 -2.49 1.01 0.57 -0.78 120.40 117.20 2o2a s VAL 65 Ca -0.01 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 2o2a s VAL 65 Cb 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2o2a s VAL 65 CO -0.08 0.50 -0.04 -0.63 0.00 0.00 0.00 175.10 174.85 2o2a s ILE 66 N 0.47 3.92 0.04 2.22 1.01 0.34 -1.10 121.20 128.10 2o2a s ILE 66 Ca -0.17 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 2o2a s ILE 66 Cb -0.17 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2o2a s ILE 66 CO 0.07 0.55 0.04 -0.94 0.00 0.00 0.00 174.94 174.66 2o2a s SER 67 N -0.25 0.27 0.00 3.58 1.04 0.03 0.16 113.70 118.53 2o2a s SER 67 Ca 0.04 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2o2a s SER 67 Cb -0.13 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2o2a s SER 67 CO 0.02 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2o2a n GLY 68 N 0.71 -0.73 3.01 7.32 0.00 -0.67 0.42 105.19 115.25 2o2a n GLY 68 Ca -0.18 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 2o2a n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o2a s VAL 69 N -3.00 -0.07 0.07 1.61 1.01 -0.40 -0.69 120.40 118.93 2o2a s VAL 69 Ca 0.00 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.25 2o2a s VAL 69 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2o2a s VAL 69 CO 0.00 0.07 -0.26 -0.63 0.00 0.00 0.00 175.10 174.28 2o2a s ILE 70 N 1.34 2.15 0.04 2.22 1.09 -0.00 -1.06 121.20 126.97 2o2a s ILE 70 Ca -0.08 -1.49 -0.00 0.00 -1.10 0.00 0.00 60.65 57.97 2o2a s ILE 70 Cb -0.11 -1.86 -0.03 0.00 -1.06 0.00 0.00 42.46 39.40 2o2a s ILE 70 CO -0.08 0.27 -0.03 -0.94 -0.10 0.00 0.00 174.94 174.06 2o2a s SER 71 N -1.49 0.39 0.00 3.58 1.04 0.35 -0.38 113.70 117.19 2o2a s SER 71 Ca 0.12 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2o2a s SER 71 Cb -0.10 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2o2a s SER 71 CO 0.03 -0.43 0.00 1.67 0.98 0.00 0.00 173.24 175.49 2o2a n GLN 72 N 0.93 0.00 0.00 4.02 7.27 -0.35 0.05 117.38 129.29 2o2a n GLN 72 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 2o2a n GLN 72 Cb 0.58 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.23 2o2a n GLN 72 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2o2a n ALA 74 N -3.00 0.00 -3.63 1.69 0.00 0.59 -0.81 120.51 115.35 2o2a n ALA 74 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2o2a n ALA 74 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2o2a n ALA 74 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2o2a s HIS 75 N -0.63 3.49 -0.03 0.00 3.76 0.08 -1.26 115.29 120.70 2o2a s HIS 75 Ca 0.00 -2.12 -0.28 0.00 -0.15 0.00 0.00 55.06 52.51 2o2a s HIS 75 Cb 0.00 -3.40 -0.03 0.00 1.11 0.00 0.00 32.58 30.26 2o2a s HIS 75 CO 0.00 -0.98 0.90 0.42 -0.85 0.00 0.00 174.74 174.23 2o2a s ILE 76 N 1.16 4.91 -0.09 0.60 1.01 0.29 -1.45 121.20 127.64 2o2a s ILE 76 Ca 0.08 1.88 -0.12 0.00 0.00 0.00 0.00 60.65 62.48 2o2a s ILE 76 Cb -0.24 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 2o2a s ILE 76 CO -0.02 0.17 0.29 -1.10 0.00 0.00 0.00 174.94 174.28 2o2a s GLN 77 N 1.09 3.89 0.00 2.79 -1.52 0.03 -1.89 119.66 124.05 2o2a s GLN 77 Ca 0.47 0.16 0.00 0.00 -1.95 0.00 0.00 55.36 54.04 2o2a s GLN 77 Cb -0.20 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.31 2o2a s GLN 77 CO 0.24 0.57 0.00 0.41 -0.25 0.00 0.00 175.29 176.26 2o2a n GLY 78 N 2.38 0.49 2.90 3.09 0.00 0.47 -4.43 105.19 110.09 2o2a n GLY 78 Ca -0.15 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2o2a n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o2a s ARG 79 N -1.43 0.12 -0.50 1.61 1.81 -0.83 -5.01 118.95 114.71 2o2a s ARG 79 Ca 0.00 -0.06 0.04 0.00 -1.72 0.00 0.00 55.73 53.99 2o2a s ARG 79 Cb 0.00 -0.10 0.13 0.00 -0.45 0.00 0.00 34.95 34.52 2o2a s ARG 79 CO 0.00 0.03 0.24 -0.51 -0.68 0.00 0.00 175.30 174.38 2o2a s LEU 80 N -0.07 4.24 -0.17 2.53 1.43 -1.26 -2.93 118.68 122.45 2o2a s LEU 80 Ca 0.00 -2.93 -0.29 0.00 -1.03 0.00 0.00 54.13 49.88 2o2a s LEU 80 Cb -0.01 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 2o2a s LEU 80 CO -0.00 -0.24 1.09 -0.63 0.23 0.00 0.00 176.35 176.79 2o2a s ILE 81 N -0.17 4.59 0.07 -0.59 1.09 -1.26 -4.93 121.20 120.00 2o2a s ILE 81 Ca 0.17 1.90 -0.15 0.00 -1.10 0.00 0.00 60.65 61.46 2o2a s ILE 81 Cb -0.25 -4.22 -0.16 0.00 -1.06 0.00 0.00 42.46 36.76 2o2a s ILE 81 CO -0.01 -0.11 1.28 0.78 -0.10 0.00 0.00 174.94 176.78 2o2a h ASN 82 N 7.49 0.78 -4.64 3.58 2.35 -2.02 -3.46 115.58 119.67 2o2a h ASN 82 Ca -0.25 -0.63 -0.04 0.00 -0.55 0.00 0.00 56.30 54.83 2o2a h ASN 82 Cb 1.10 -0.23 -0.20 0.00 0.05 0.00 0.00 38.32 39.04 2o2a h ASN 82 CO 0.94 1.28 0.21 -1.83 -1.65 0.00 0.00 177.43 176.38 2o2a s GLU 83 N -3.75 0.95 0.49 0.81 -1.05 -1.26 -5.05 118.70 109.84 2o2a s GLU 83 Ca -0.12 0.44 0.23 0.00 -0.15 0.00 0.00 54.97 55.38 2o2a s GLU 83 Cb 0.07 0.45 1.29 0.00 -0.44 0.00 0.00 34.13 35.50 2o2a s GLU 83 CO 0.86 -0.26 1.93 -1.35 0.95 0.00 0.00 175.26 177.39 2o2a h PRO 84 N 3.48 0.16 0.00 -4.83 0.11 -1.95 -0.50 132.00 128.46 2o2a h PRO 84 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2o2a h PRO 84 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2o2a h PRO 84 CO 0.29 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.06 2o2a n SER 85 N -4.39 0.41 -0.22 -2.05 3.41 -1.26 -1.09 113.62 108.42 2o2a n SER 85 Ca 0.15 0.63 0.15 0.00 -0.26 0.00 0.00 58.87 59.54 2o2a n SER 85 Cb 0.70 -0.71 0.75 0.00 -0.26 0.00 0.00 64.21 64.69 2o2a n SER 85 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2o2a n GLU 86 N -1.99 1.30 -2.09 4.33 1.02 -0.20 -4.89 120.64 118.13 2o2a n GLU 86 Ca 0.01 -0.44 -0.41 0.00 -0.02 0.00 0.00 57.16 56.30 2o2a n GLU 86 Cb 0.13 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2o2a n GLU 86 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2o2a s PHE 87 N -2.00 3.06 0.83 -0.32 0.08 -0.25 -5.01 117.98 114.38 2o2a s PHE 87 Ca 0.43 1.24 -0.11 0.00 0.12 0.00 0.00 56.93 58.61 2o2a s PHE 87 Cb 0.21 -3.73 0.09 0.00 -0.57 0.00 0.00 43.02 39.03 2o2a s PHE 87 CO 0.35 -2.18 1.09 -1.54 -0.10 0.00 0.00 175.22 172.84 2o2a s SER 88 N -0.05 3.98 0.18 1.36 1.04 -1.26 -4.84 113.70 114.12 2o2a s SER 88 Ca 0.54 1.66 -0.17 0.00 0.48 0.00 0.00 55.95 58.46 2o2a s SER 88 Cb -0.40 -2.34 0.13 0.00 0.10 0.00 0.00 66.02 63.50 2o2a s SER 88 CO 0.47 -2.34 1.65 1.56 0.98 0.00 0.00 173.24 175.56 2o2a h GLN 89 N -1.34 -0.04 -0.73 4.02 4.20 -1.99 -0.89 115.11 118.34 2o2a h GLN 89 Ca -0.46 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.34 2o2a h GLN 89 Cb 1.26 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.97 2o2a h GLN 89 CO 0.53 -0.03 0.37 -0.44 -0.67 0.00 0.00 178.83 178.59 2o2a h ASP 90 N -0.04 0.49 -0.39 1.46 3.32 -1.99 -1.36 116.42 117.91 2o2a h ASP 90 Ca 0.22 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 2o2a h ASP 90 Cb 0.38 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2o2a h ASP 90 CO -0.49 0.28 -0.29 -0.33 -1.72 0.00 0.00 179.24 176.69 2o2a h GLU 91 N 0.63 0.91 -0.40 3.56 5.08 -1.78 -0.28 114.58 122.30 2o2a h GLU 91 Ca 0.36 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2o2a h GLU 91 Cb 0.38 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2o2a h GLU 91 CO -0.27 1.07 0.21 0.28 -1.00 0.00 0.00 179.01 179.30 2o2a h VAL 92 N 0.77 1.16 -0.52 3.13 2.07 -0.81 -0.98 116.25 121.07 2o2a h VAL 92 Ca 0.09 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 2o2a h VAL 92 Cb 0.85 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2o2a h VAL 92 CO 0.08 0.17 0.02 -0.33 0.02 0.00 0.00 177.57 177.52 2o2a h GLU 93 N 0.51 0.87 0.25 1.57 5.08 -1.04 -0.25 114.58 121.57 2o2a h GLU 93 Ca 0.14 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2o2a h GLU 93 Cb 0.08 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2o2a h GLU 93 CO -0.02 0.85 -0.35 -0.97 -1.00 0.00 0.00 179.01 177.52 2o2a h ASN 94 N 0.81 -0.98 -0.24 1.42 -0.73 -0.85 -0.24 115.58 114.77 2o2a h ASN 94 Ca 0.16 0.10 -0.06 0.00 1.87 0.00 0.00 56.30 58.36 2o2a h ASN 94 Cb 0.46 0.35 -0.02 0.00 0.27 0.00 0.00 38.32 39.38 2o2a h ASN 94 CO 0.02 -0.47 -0.04 -0.07 -0.37 0.00 0.00 177.43 176.50 2o2a h LEU 95 N -0.66 0.55 -0.07 0.34 3.38 -0.85 -2.73 115.31 115.26 2o2a h LEU 95 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2o2a h LEU 95 Cb 0.64 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2o2a h LEU 95 CO -0.13 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.05 2o2a h ALA 96 N 1.42 1.00 -0.12 1.53 0.00 -0.92 -3.40 119.26 118.78 2o2a h ALA 96 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2o2a h ALA 96 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2o2a h ALA 96 CO 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 179.25 178.92 2o2a h ALA 97 N 2.24 -0.44 0.00 0.00 0.00 -0.71 -0.85 119.26 119.51 2o2a h ALA 97 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2o2a h ALA 97 Cb 0.85 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2o2a h ALA 97 CO 0.00 -0.84 -0.11 -1.35 0.00 0.00 0.00 179.25 176.95 2o2a h PRO 98 N -0.43 0.00 -0.11 0.00 0.11 -1.79 -1.63 132.00 128.15 2o2a h PRO 98 Ca 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 2o2a h PRO 98 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 2o2a h PRO 98 CO -0.36 0.11 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.46 2o2a h LEU 99 N 0.00 0.20 -0.69 2.35 3.38 -1.45 -2.43 115.31 116.67 2o2a h LEU 99 Ca -0.00 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2o2a h LEU 99 Cb 0.23 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2o2a h LEU 99 CO 0.01 0.49 0.15 -0.07 0.09 0.00 0.00 178.44 179.11 2o2a h LEU 100 N -0.10 1.06 -0.86 1.67 3.38 -1.08 -2.51 115.31 116.87 2o2a h LEU 100 Ca 0.03 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.82 2o2a h LEU 100 Cb 0.40 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2o2a h LEU 100 CO 0.01 1.03 0.53 -0.08 0.09 0.00 0.00 178.44 180.02 2o2a h GLU 101 N 1.04 0.93 -0.18 1.13 4.57 -1.28 0.12 114.58 120.91 2o2a h GLU 101 Ca 0.21 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 2o2a h GLU 101 Cb 0.40 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2o2a h GLU 101 CO 0.01 0.61 0.04 0.82 -1.18 0.00 0.00 179.01 179.31 2o2a h ILE 102 N 0.96 0.92 -0.90 2.32 1.08 -1.17 -0.30 117.51 120.42 2o2a h ILE 102 Ca 0.38 -0.04 0.04 0.00 -0.39 0.00 0.00 64.86 64.84 2o2a h ILE 102 Cb 0.19 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 2o2a h ILE 102 CO -0.18 0.02 0.58 0.58 -0.69 0.00 0.00 178.15 178.47 2o2a h VAL 103 N 0.11 1.15 -0.25 1.67 2.07 -0.95 -1.24 116.25 118.81 2o2a h VAL 103 Ca 0.08 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2o2a h VAL 103 Cb 0.07 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 2o2a h VAL 103 CO -0.11 0.21 0.14 0.50 0.02 0.00 0.00 177.57 178.33 2o2a h LYS 104 N 1.13 0.35 -0.17 1.57 3.64 -0.43 -0.43 116.57 122.23 2o2a h LYS 104 Ca 0.36 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2o2a h LYS 104 Cb 0.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2o2a h LYS 104 CO -0.12 0.31 0.11 0.00 -2.27 0.00 0.00 179.45 177.47 2o2a h ARG 105 N 0.30 0.23 -0.62 1.90 2.47 -0.61 -1.63 114.38 116.42 2o2a h ARG 105 Ca 0.09 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.73 2o2a h ARG 105 Cb 0.06 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 2o2a h ARG 105 CO -0.01 0.19 0.17 -0.07 0.56 0.00 0.00 179.97 180.80 2o2a h LEU 106 N 0.21 0.92 -0.35 3.04 3.38 -1.13 -2.36 115.31 119.01 2o2a h LEU 106 Ca 0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2o2a h LEU 106 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2o2a h LEU 106 CO -0.01 0.90 0.01 0.74 0.09 0.00 0.00 178.44 180.17 2o2a h THR 107 N 0.89 1.25 0.21 0.22 2.02 -0.92 0.58 112.91 117.17 2o2a h THR 107 Ca 0.20 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.44 2o2a h THR 107 Cb 0.33 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2o2a h THR 107 CO -0.00 0.31 -0.30 0.22 0.37 0.00 0.00 175.52 176.12 2o2a h TYR 108 N 0.42 -0.80 -0.30 3.16 5.03 -1.25 0.32 116.97 123.56 2o2a h TYR 108 Ca 0.10 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 2o2a h TYR 108 Cb 0.43 0.32 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 2o2a h TYR 108 CO 0.03 -0.41 0.06 0.93 -1.32 0.00 0.00 178.16 177.45 2o2a h GLU 109 N -0.57 0.49 -0.47 1.82 4.39 -1.35 -0.68 114.58 118.21 2o2a h GLU 109 Ca 0.01 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 2o2a h GLU 109 Cb 0.56 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2o2a h GLU 109 CO -0.11 0.58 -0.01 0.28 -1.16 0.00 0.00 179.01 178.58 2o2a h VAL 110 N 0.32 1.26 -0.19 3.13 2.07 -0.89 -2.83 116.25 119.12 2o2a h VAL 110 Ca 0.09 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.42 2o2a h VAL 110 Cb 0.31 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2o2a h VAL 110 CO 0.00 0.37 -0.39 0.71 0.02 0.00 0.00 177.57 178.29 2o2a h THR 111 N 0.69 1.30 -0.56 2.57 1.35 -0.89 0.18 112.91 117.55 2o2a h THR 111 Ca 0.13 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.46 2o2a h THR 111 Cb 0.52 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 68.50 2o2a h THR 111 CO 0.03 0.47 0.29 -0.08 -0.25 0.00 0.00 175.52 175.97 2o2a h GLU 112 N 0.36 0.79 -0.03 4.72 4.81 -0.97 -0.71 114.58 123.54 2o2a h GLU 112 Ca 0.03 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2o2a h GLU 112 Cb 0.84 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2o2a h GLU 112 CO 0.07 0.62 -0.14 0.82 -0.73 0.00 0.00 179.01 179.65 2o2a h ILE 113 N 0.75 1.48 -0.40 2.32 2.04 -1.42 -2.40 117.51 119.87 2o2a h ILE 113 Ca 0.19 -1.61 -0.08 0.00 1.00 0.00 0.00 64.86 64.36 2o2a h ILE 113 Cb 0.08 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2o2a h ILE 113 CO -0.03 0.44 -0.06 0.00 0.00 0.00 0.00 178.15 178.50 2o2a h ALA 114 N 0.39 0.55 -0.01 1.87 0.00 -0.85 -3.17 119.26 118.04 2o2a h ALA 114 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2o2a h ALA 114 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2o2a h ALA 114 CO 0.03 0.39 -0.39 1.28 0.00 0.00 0.00 179.25 180.57 2o2a n LEU 115 N -4.37 1.78 -3.62 0.00 4.77 -0.28 -4.98 117.00 110.31 2o2a n LEU 115 Ca -0.01 -0.62 -0.20 0.00 -0.03 0.00 0.00 56.01 55.15 2o2a n LEU 115 Cb 0.34 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2o2a n LEU 115 CO 0.42 0.33 -0.01 -0.67 -1.33 0.00 0.00 177.39 176.13 2o2a n ASP 116 N -0.13 -1.49 -3.81 -1.43 2.03 -0.91 -4.97 116.55 105.83 2o2a n ASP 116 Ca 0.10 -0.76 -0.10 0.00 0.52 0.00 0.00 54.79 54.56 2o2a n ASP 116 Cb 0.44 -4.40 -0.06 0.00 -0.72 0.00 0.00 41.12 36.38 2o2a n ASP 116 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2o2a s ARG 117 N -5.79 1.12 0.26 -0.67 0.52 -1.15 -5.07 118.95 108.17 2o2a s ARG 117 Ca 0.01 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 53.97 2o2a s ARG 117 Cb -0.01 0.42 -0.14 0.00 0.52 0.00 0.00 34.95 35.75 2o2a s ARG 117 CO 0.79 -0.43 1.22 -2.30 0.02 0.00 0.00 175.30 174.60 2o2a n PRO 118 N -0.21 1.70 -1.53 3.54 -0.02 -1.26 -4.13 135.00 133.08 2o2a n PRO 118 Ca -0.12 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 2o2a n PRO 118 Cb 0.63 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2o2a n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o2a n GLY 119 N 1.56 -0.79 3.75 -1.23 0.00 -1.26 -4.68 105.19 102.54 2o2a n GLY 119 Ca 0.10 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 2o2a n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o2a s VAL 120 N -1.28 3.01 -0.38 1.61 1.01 -1.26 -4.91 120.40 118.20 2o2a s VAL 120 Ca 0.62 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 2o2a s VAL 120 Cb -0.63 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.29 2o2a s VAL 120 CO 0.58 0.16 0.15 0.42 0.00 0.00 0.00 175.10 176.40 2o2a s THR 121 N -0.26 3.05 0.51 3.92 -4.23 -1.26 -3.37 115.64 114.00 2o2a s THR 121 Ca 0.55 -2.01 -0.23 0.00 -1.18 0.00 0.00 61.69 58.81 2o2a s THR 121 Cb -0.38 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.33 2o2a s THR 121 CO 0.43 -0.59 1.39 -0.76 -0.54 0.00 0.00 174.62 174.55 2o2a s LEU 122 N 1.11 3.96 -0.18 4.79 1.43 -1.26 -5.00 118.68 123.53 2o2a s LEU 122 Ca 0.07 2.84 0.01 0.00 -1.03 0.00 0.00 54.13 56.02 2o2a s LEU 122 Cb -0.22 -4.13 0.02 0.00 0.03 0.00 0.00 46.19 41.89 2o2a s LEU 122 CO -0.04 -1.41 -0.19 -1.61 0.23 0.00 0.00 176.35 173.32 2o2a s GLU 123 N -2.72 3.02 0.00 1.70 0.41 -1.26 -5.03 118.70 114.83 2o2a s GLU 123 Ca 0.67 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 2o2a s GLU 123 Cb -0.42 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2o2a s GLU 123 CO 0.52 -0.20 0.46 1.19 -0.49 0.00 0.00 175.26 176.74