#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 -3.55 0.00 0.00 -1.26 -5.20 120.51 110.51 2o2a n ALA 0 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2o2a n ALA 0 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 2.24 0.19 -0.06 0.00 2.12 -1.26 -5.18 118.70 116.74 2o2a s GLU 2 Ca 0.00 0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.86 2o2a s GLU 2 Cb 0.00 -0.58 0.00 0.00 0.26 0.00 0.00 34.13 33.81 2o2a s GLU 2 CO 0.00 -0.49 -0.17 0.08 -0.54 0.00 0.00 175.26 174.14 2o2a s VAL 3 N 2.40 1.51 -0.24 3.70 1.01 -1.26 -0.01 120.40 127.51 2o2a s VAL 3 Ca 0.05 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2o2a s VAL 3 Cb -0.14 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2o2a s VAL 3 CO -0.11 0.43 0.07 -0.63 0.00 0.00 0.00 175.10 174.87 2o2a s ILE 4 N 0.32 4.43 -0.02 2.22 1.01 -0.72 -4.95 121.20 123.49 2o2a s ILE 4 Ca -0.11 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.43 2o2a s ILE 4 Cb -0.15 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2o2a s ILE 4 CO 0.04 0.36 -0.10 -0.13 0.00 0.00 0.00 174.94 175.11 2o2a s ARG 5 N 1.39 2.54 0.83 2.79 0.52 -1.26 -0.09 118.95 125.68 2o2a s ARG 5 Ca 0.05 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.45 2o2a s ARG 5 Cb -0.15 -2.47 0.09 0.00 0.52 0.00 0.00 34.95 32.95 2o2a s ARG 5 CO 0.04 0.62 1.11 -1.21 0.02 0.00 0.00 175.30 175.88 2o2a s GLU 6 N -1.11 1.79 0.36 3.54 0.41 -1.26 -5.01 118.70 117.42 2o2a s GLU 6 Ca 0.14 0.50 -0.28 0.00 -0.41 0.00 0.00 54.97 54.92 2o2a s GLU 6 Cb -0.11 -1.90 -0.11 0.00 -1.78 0.00 0.00 34.13 30.23 2o2a s GLU 6 CO 0.04 -1.80 1.52 0.94 -0.49 0.00 0.00 175.26 175.47 2o2a n GLN 7 N -3.53 2.70 -1.71 1.61 7.27 -1.26 -4.93 117.38 117.53 2o2a n GLN 7 Ca 0.07 0.95 -0.41 0.00 0.07 0.00 0.00 57.00 57.68 2o2a n GLN 7 Cb 0.57 -2.69 0.01 0.00 2.41 0.00 0.00 30.24 30.54 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 0.78 1.95 -4.04 3.69 4.71 -1.26 -4.84 120.64 121.63 2o2a n GLU 8 Ca 0.03 0.70 -0.33 0.00 -0.01 0.00 0.00 57.16 57.54 2o2a n GLU 8 Cb 0.38 -2.42 -0.15 0.00 -1.01 0.00 0.00 31.44 28.24 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 -1.21 3.04 -0.53 -0.32 5.36 0.11 -5.01 117.98 119.42 2o2a s PHE 9 Ca 0.62 -1.83 -0.22 0.00 -0.96 0.00 0.00 56.93 54.54 2o2a s PHE 9 Cb -0.49 -1.98 0.05 0.00 -0.34 0.00 0.00 43.02 40.26 2o2a s PHE 9 CO 0.57 -0.80 0.80 0.08 -1.46 0.00 0.00 175.22 174.42 2o2a s VAL 10 N 1.24 4.60 -0.03 3.12 1.01 -1.26 -0.44 120.40 128.63 2o2a s VAL 10 Ca -0.01 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 2o2a s VAL 10 Cb -0.17 -4.44 -0.20 0.00 0.00 0.00 0.00 36.38 31.58 2o2a s VAL 10 CO -0.07 -0.99 1.15 0.78 0.00 0.00 0.00 175.10 175.97 2o2a h ASN 11 N 9.18 -0.07 -3.67 3.32 2.35 -1.64 -3.47 115.58 121.59 2o2a h ASN 11 Ca -0.27 -0.47 -0.19 0.00 -0.55 0.00 0.00 56.30 54.82 2o2a h ASN 11 Cb 1.08 0.02 -0.27 0.00 0.05 0.00 0.00 38.32 39.20 2o2a h ASN 11 CO 1.04 0.46 -0.50 -1.10 -1.65 0.00 0.00 177.43 175.68 2o2a s GLN 12 N -3.98 0.21 -0.16 0.81 -0.21 -1.03 -4.95 119.66 110.34 2o2a s GLN 12 Ca -0.15 0.34 -0.04 0.00 0.02 0.00 0.00 55.36 55.53 2o2a s GLN 12 Cb 0.01 0.03 0.06 0.00 1.00 0.00 0.00 33.01 34.11 2o2a s GLN 12 CO 0.63 -0.07 0.07 -0.47 -2.12 0.00 0.00 175.29 173.32 2o2a s TYR 13 N 0.47 0.41 -0.11 0.91 6.14 -1.26 -1.61 117.35 122.30 2o2a s TYR 13 Ca -0.03 -0.41 0.01 0.00 0.64 0.00 0.00 57.07 57.28 2o2a s TYR 13 Cb -0.04 -0.77 -0.01 0.00 0.42 0.00 0.00 41.96 41.56 2o2a s TYR 13 CO -0.02 -0.51 -0.15 -1.01 0.64 0.00 0.00 175.55 174.50 2o2a s HIS 14 N 2.06 2.76 -0.17 4.97 3.76 0.13 -4.99 115.29 123.82 2o2a s HIS 14 Ca 0.02 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.30 2o2a s HIS 14 Cb -0.16 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.74 2o2a s HIS 14 CO -0.08 -0.19 -0.17 -0.47 -0.85 0.00 0.00 174.74 172.98 2o2a s TYR 15 N 0.20 2.78 -0.04 1.40 6.14 -1.26 -1.16 117.35 125.41 2o2a s TYR 15 Ca -0.09 -1.26 0.02 0.00 0.64 0.00 0.00 57.07 56.38 2o2a s TYR 15 Cb -0.15 -1.91 0.01 0.00 0.42 0.00 0.00 41.96 40.33 2o2a s TYR 15 CO 0.05 -0.61 -0.08 -0.51 0.64 0.00 0.00 175.55 175.05 2o2a s ASP 16 N 1.03 1.21 0.64 4.32 1.11 -0.11 -5.02 116.67 119.85 2o2a s ASP 16 Ca -0.01 -0.19 -0.18 0.00 0.18 0.00 0.00 52.55 52.35 2o2a s ASP 16 Cb -0.15 -0.43 -0.01 0.00 1.07 0.00 0.00 42.92 43.40 2o2a s ASP 16 CO -0.04 0.03 1.27 0.00 1.18 0.00 0.00 175.17 177.60 2o2a n ALA 17 N 3.57 1.07 -2.33 5.23 0.00 -1.26 -1.56 120.51 125.23 2o2a n ALA 17 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2o2a n ALA 17 Cb 0.53 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 2o2a n ALA 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2o2a s ARG 18 N -3.31 4.33 -0.40 0.00 6.06 -0.89 -4.68 118.95 120.07 2o2a s ARG 18 Ca 0.82 1.84 -0.02 0.00 -2.50 0.00 0.00 55.73 55.87 2o2a s ARG 18 Cb -0.38 -3.50 0.11 0.00 0.06 0.00 0.00 34.95 31.23 2o2a s ARG 18 CO 0.41 -0.46 0.19 1.21 -2.50 0.00 0.00 175.30 174.14 2o2a s ASN 19 N 1.54 5.22 0.28 -2.12 3.84 -1.26 -4.95 114.94 117.49 2o2a s ASN 19 Ca 0.60 -2.01 0.17 0.00 0.21 0.00 0.00 52.86 51.83 2o2a s ASN 19 Cb -0.29 -1.81 0.09 0.00 -0.55 0.00 0.00 41.25 38.68 2o2a s ASN 19 CO 0.26 -0.52 1.39 -0.07 -2.79 0.00 0.00 177.10 175.37 2o2a h LEU 20 N 8.02 0.00 -0.34 3.21 3.38 -1.98 -2.75 115.31 124.85 2o2a h LEU 20 Ca -0.13 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2o2a h LEU 20 Cb 1.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 2o2a h LEU 20 CO 0.68 0.40 -0.05 -0.33 0.09 0.00 0.00 178.44 179.23 2o2a h GLU 21 N 0.00 0.04 0.31 1.13 5.08 -2.01 -2.94 114.58 116.19 2o2a h GLU 21 Ca -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2o2a h GLU 21 Cb 1.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2o2a h GLU 21 CO 0.05 0.03 -0.15 -1.49 -1.00 0.00 0.00 179.01 176.45 2o2a h TRP 22 N 0.04 -0.39 -0.90 4.33 6.55 -1.99 -3.34 115.95 120.25 2o2a h TRP 22 Ca 0.17 -0.01 0.26 0.00 0.95 0.00 0.00 58.89 60.26 2o2a h TRP 22 Cb 0.24 0.13 -0.04 0.00 -0.86 0.00 0.00 29.16 28.64 2o2a h TRP 22 CO -0.28 -0.24 0.70 0.93 -1.05 0.00 0.00 178.44 178.49 2o2a h GLU 23 N -0.83 0.00 -0.19 0.49 5.08 -1.60 -1.52 114.58 116.02 2o2a h GLU 23 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2o2a h GLU 23 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2o2a h GLU 23 CO 0.07 0.00 0.13 1.49 -1.00 0.00 0.00 179.01 179.70 2o2a h GLU 24 N 0.00 0.25 -0.00 2.33 4.22 -1.64 0.95 114.58 120.69 2o2a h GLU 24 Ca 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.85 2o2a h GLU 24 Cb 1.82 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2o2a h GLU 24 CO -0.00 0.16 -0.01 0.39 -2.18 0.00 0.00 179.01 177.37 2o2a n GLU 25 N -4.51 0.27 0.00 1.92 -0.58 -0.74 -4.65 120.64 112.34 2o2a n GLU 25 Ca -0.00 -0.52 0.09 0.00 -0.42 0.00 0.00 57.16 56.31 2o2a n GLU 25 Cb 0.08 -0.97 0.06 0.00 -0.57 0.00 0.00 31.44 30.03 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 -0.06 2.31 0.00 1.62 4.13 -0.65 -5.07 115.26 117.53 2o2a n ASN 26 Ca 0.01 -1.65 0.00 0.00 1.68 0.00 0.00 54.58 54.62 2o2a n ASN 26 Cb 0.04 0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 2o2a n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2o2a n GLY 27 N 1.07 1.77 3.67 7.41 0.00 0.30 -4.94 105.19 114.48 2o2a n GLY 27 Ca 0.10 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 2o2a n GLY 27 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2o2a s THR 28 N 0.00 4.83 0.29 2.61 -1.32 -1.21 -4.74 115.64 116.10 2o2a s THR 28 Ca 0.00 1.78 -0.16 0.00 -1.21 0.00 0.00 61.69 62.09 2o2a s THR 28 Cb 0.00 -4.20 -0.09 0.00 -1.51 0.00 0.00 72.50 66.70 2o2a s THR 28 CO 0.00 -0.01 0.74 -2.16 -2.21 0.00 0.00 174.62 170.98 2o2a s PRO 29 N 2.26 4.08 -0.04 7.08 0.05 -1.26 -5.07 135.00 142.10 2o2a s PRO 29 Ca 0.41 0.74 -0.04 0.00 0.05 0.00 0.00 61.00 62.16 2o2a s PRO 29 Cb -0.17 -2.56 -0.04 0.00 0.05 0.00 0.00 34.50 31.78 2o2a s PRO 29 CO 0.13 0.23 0.17 0.15 0.05 0.00 0.00 177.00 177.73 2o2a s LYS 30 N -2.68 3.44 0.13 4.56 -0.14 -1.26 -4.83 119.74 118.96 2o2a s LYS 30 Ca 0.51 -0.26 -0.32 0.00 -1.36 0.00 0.00 55.97 54.54 2o2a s LYS 30 Cb -0.12 -3.12 -0.11 0.00 -1.68 0.00 0.00 37.83 32.79 2o2a s LYS 30 CO 0.18 0.70 1.80 2.41 -0.76 0.00 0.00 175.35 179.69 2o2a n THR 31 N 1.24 0.29 -3.46 2.17 -1.04 -1.26 -4.73 114.28 107.50 2o2a n THR 31 Ca -0.13 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 2o2a n THR 31 Cb 0.53 -2.04 -0.04 0.00 -1.82 0.00 0.00 70.33 66.97 2o2a n THR 31 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2o2a s ASN 32 N 2.43 -0.61 0.09 8.00 2.20 0.07 -4.99 114.94 122.14 2o2a s ASN 32 Ca 0.81 0.29 0.08 0.00 -0.94 0.00 0.00 52.86 53.11 2o2a s ASN 32 Cb -0.52 0.58 -0.03 0.00 -2.00 0.00 0.00 41.25 39.28 2o2a s ASN 32 CO 0.38 -0.82 -0.22 -0.36 -2.94 0.00 0.00 177.10 173.14 2o2a s PHE 33 N -2.71 1.86 -0.04 1.54 0.40 -1.26 -1.11 117.98 116.66 2o2a s PHE 33 Ca -0.04 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 2o2a s PHE 33 Cb -0.01 -1.03 0.01 0.00 0.51 0.00 0.00 43.02 42.50 2o2a s PHE 33 CO -0.04 0.20 -0.11 -2.00 0.70 0.00 0.00 175.22 173.98 2o2a s GLU 34 N -1.79 1.25 -0.07 0.44 -6.30 -0.00 -4.99 118.70 107.24 2o2a s GLU 34 Ca 0.07 -0.37 0.04 0.00 -2.50 0.00 0.00 54.97 52.22 2o2a s GLU 34 Cb -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 34.13 32.91 2o2a s GLU 34 CO 0.04 0.10 -0.20 0.08 0.02 0.00 0.00 175.26 175.31 2o2a s VAL 35 N 0.32 1.67 0.26 3.70 1.01 -1.26 -0.97 120.40 125.12 2o2a s VAL 35 Ca -0.06 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.15 2o2a s VAL 35 Cb -0.11 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2o2a s VAL 35 CO 0.01 0.47 -0.04 0.42 0.00 0.00 0.00 175.10 175.97 2o2a s THR 36 N 0.23 1.37 -0.03 3.92 -4.23 -0.20 -4.97 115.64 111.73 2o2a s THR 36 Ca -0.11 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.34 2o2a s THR 36 Cb -0.15 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.31 2o2a s THR 36 CO 0.05 -0.32 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.39 2o2a s PHE 37 N -3.19 0.74 -0.10 3.99 0.08 -1.26 -0.81 117.98 117.42 2o2a s PHE 37 Ca 0.29 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.17 2o2a s PHE 37 Cb 0.05 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.93 2o2a s PHE 37 CO 0.10 -0.12 -0.14 -1.14 -0.10 0.00 0.00 175.22 173.82 2o2a s GLN 38 N 0.45 2.08 0.09 0.44 0.74 0.55 -4.82 119.66 119.19 2o2a s GLN 38 Ca -0.06 -0.52 -0.31 0.00 0.05 0.00 0.00 55.36 54.52 2o2a s GLN 38 Cb -0.10 -1.77 -0.10 0.00 1.10 0.00 0.00 33.01 32.15 2o2a s GLN 38 CO 0.00 -0.04 1.88 -0.51 -0.55 0.00 0.00 175.29 176.07 2o2a s LEU 39 N 0.92 4.41 -0.20 3.68 2.01 -1.26 0.29 118.68 128.54 2o2a s LEU 39 Ca -0.08 2.72 -0.16 0.00 0.01 0.00 0.00 54.13 56.62 2o2a s LEU 39 Cb -0.15 -3.55 -0.07 0.00 0.01 0.00 0.00 46.19 42.42 2o2a s LEU 39 CO -0.00 -1.02 -0.33 0.00 1.01 0.00 0.00 176.35 176.00 2o2a n ALA 40 N 6.38 1.09 -3.00 4.21 0.00 0.50 -4.87 120.51 124.81 2o2a n ALA 40 Ca 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2o2a n ALA 40 Cb 0.39 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2o2a n ALA 40 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2o2a n ASN 41 N -4.34 0.00 -4.20 0.00 6.94 -1.11 -5.01 115.26 107.54 2o2a n ASN 41 Ca -0.25 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.19 2o2a n ASN 41 Cb 0.61 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.93 2o2a n ASN 41 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2o2a s ARG 42 N 1.14 1.15 -0.45 -3.83 0.52 -1.26 -1.00 118.95 115.22 2o2a s ARG 42 Ca 0.00 -1.59 0.07 0.00 -0.52 0.00 0.00 55.73 53.68 2o2a s ARG 42 Cb 0.00 0.19 0.24 0.00 0.52 0.00 0.00 34.95 35.90 2o2a s ARG 42 CO 0.00 -0.34 0.75 -3.47 0.02 0.00 0.00 175.30 172.26 2o2a n ASP 43 N -0.25 -1.81 0.29 0.23 -0.08 -0.79 -4.98 116.55 109.17 2o2a n ASP 43 Ca -0.00 -3.08 0.19 0.00 -1.51 0.00 0.00 54.79 50.39 2o2a n ASP 43 Cb 0.65 0.94 0.85 0.00 2.34 0.00 0.00 41.12 45.91 2o2a n ASP 43 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2o2a h GLU 44 N 4.02 0.00 -0.36 -0.67 4.11 -1.95 0.48 114.58 120.21 2o2a h GLU 44 Ca -0.07 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.21 2o2a h GLU 44 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2o2a h GLU 44 CO 0.37 0.00 -0.36 0.00 0.07 0.00 0.00 179.01 179.09 2o2a h ALA 45 N 2.00 0.68 -0.17 1.06 0.00 -1.96 -3.20 119.26 117.68 2o2a h ALA 45 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2o2a h ALA 45 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2o2a h ALA 45 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.92 2o2a n ALA 46 N -2.53 2.51 -3.47 0.00 0.00 0.14 -5.00 120.51 112.16 2o2a n ALA 46 Ca -0.02 -0.55 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 2o2a n ALA 46 Cb 0.52 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2o2a n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2o2a n LYS 47 N 0.41 -1.49 -3.74 0.00 5.02 0.75 -4.76 118.16 114.34 2o2a n LYS 47 Ca 0.16 1.11 -0.12 0.00 -2.02 0.00 0.00 58.31 57.44 2o2a n LYS 47 Cb 0.35 -3.75 -0.12 0.00 -0.02 0.00 0.00 35.03 31.49 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 -2.93 -0.03 -0.20 -0.18 1.01 -1.10 -1.30 120.40 115.66 2o2a s VAL 48 Ca 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2o2a s VAL 48 Cb -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.99 2o2a s VAL 48 CO 0.83 0.04 -0.13 -0.89 0.00 0.00 0.00 175.10 174.96 2o2a s THR 49 N 0.97 2.61 -0.10 3.92 2.01 -0.88 -1.89 115.64 122.26 2o2a s THR 49 Ca -0.07 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 60.98 2o2a s THR 49 Cb -0.08 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 2o2a s THR 49 CO -0.06 0.47 0.44 -0.44 -0.69 0.00 0.00 174.62 174.33 2o2a s SER 50 N 1.36 6.67 -0.01 3.53 0.01 -0.17 0.08 113.70 125.18 2o2a s SER 50 Ca 0.05 0.80 0.03 0.00 1.31 0.00 0.00 55.95 58.13 2o2a s SER 50 Cb -0.14 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 2o2a s SER 50 CO -0.09 0.08 -0.09 -0.63 0.41 0.00 0.00 173.24 172.92 2o2a s ILE 51 N 0.29 0.72 -0.32 1.44 -1.09 0.41 -0.37 121.20 122.27 2o2a s ILE 51 Ca 0.24 -0.38 -0.10 0.00 -2.23 0.00 0.00 60.65 58.19 2o2a s ILE 51 Cb -0.15 -0.61 0.00 0.00 -1.58 0.00 0.00 42.46 40.12 2o2a s ILE 51 CO 0.10 0.21 0.16 -0.69 -1.23 0.00 0.00 174.94 173.48 2o2a s VAL 52 N -0.15 4.53 -0.02 2.92 1.01 0.15 -0.52 120.40 128.32 2o2a s VAL 52 Ca 0.02 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2o2a s VAL 52 Cb -0.04 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2o2a s VAL 52 CO -0.00 0.01 0.62 0.00 0.00 0.00 0.00 175.10 175.73 2o2a s ALA 53 N 1.59 3.45 -0.08 5.51 0.00 -0.14 -0.33 121.76 131.76 2o2a s ALA 53 Ca 0.04 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.06 2o2a s ALA 53 Cb -0.17 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.17 2o2a s ALA 53 CO 0.06 0.10 -0.08 0.08 0.00 0.00 0.00 175.76 175.92 2o2a s VAL 54 N 0.04 0.92 -0.18 0.00 1.01 0.01 -1.16 120.40 121.03 2o2a s VAL 54 Ca 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2o2a s VAL 54 Cb -0.18 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2o2a s VAL 54 CO 0.17 0.32 -0.06 -0.22 0.00 0.00 0.00 175.10 175.32 2o2a s LEU 55 N 1.13 2.99 -0.09 3.92 2.96 0.90 -1.03 118.68 129.45 2o2a s LEU 55 Ca -0.06 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2o2a s LEU 55 Cb -0.14 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2o2a s LEU 55 CO -0.01 0.08 -0.18 -1.58 -1.32 0.00 0.00 176.35 173.34 2o2a s GLN 56 N 0.87 2.98 0.02 1.98 0.74 -0.14 -0.75 119.66 125.35 2o2a s GLN 56 Ca -0.01 -0.77 -0.07 0.00 0.05 0.00 0.00 55.36 54.56 2o2a s GLN 56 Cb -0.15 -2.42 -0.00 0.00 1.10 0.00 0.00 33.01 31.54 2o2a s GLN 56 CO 0.01 0.32 0.13 -0.59 -0.55 0.00 0.00 175.29 174.61 2o2a s PHE 57 N 0.04 0.10 -0.03 1.67 -0.71 -0.47 -0.82 117.98 117.75 2o2a s PHE 57 Ca -0.07 -0.27 0.01 0.00 -1.04 0.00 0.00 56.93 55.56 2o2a s PHE 57 Cb -0.15 -0.08 0.02 0.00 -1.21 0.00 0.00 43.02 41.61 2o2a s PHE 57 CO 0.05 -0.33 -0.02 0.08 -1.34 0.00 0.00 175.22 173.66 2o2a s VAL 58 N -1.90 0.31 -0.16 -2.49 1.01 -0.26 -1.71 120.40 115.19 2o2a s VAL 58 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2o2a s VAL 58 Cb -0.05 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 36.00 2o2a s VAL 58 CO -0.01 0.17 -0.09 -0.63 0.00 0.00 0.00 175.10 174.54 2o2a s ILE 59 N 0.88 1.34 -0.18 2.22 1.01 0.77 -0.75 121.20 126.49 2o2a s ILE 59 Ca -0.10 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 2o2a s ILE 59 Cb -0.13 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2o2a s ILE 59 CO -0.01 0.25 0.03 -0.69 0.00 0.00 0.00 174.94 174.52 2o2a s VAL 60 N 1.55 4.41 0.32 2.92 1.01 -1.26 -0.59 120.40 128.75 2o2a s VAL 60 Ca 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2o2a s VAL 60 Cb -0.15 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2o2a s VAL 60 CO -0.09 0.45 0.08 -0.13 0.00 0.00 0.00 175.10 175.42 2o2a s ARG 61 N 0.55 1.64 0.35 2.72 1.81 0.20 -4.78 118.95 121.43 2o2a s ARG 61 Ca 0.01 -1.92 0.12 0.00 -1.72 0.00 0.00 55.73 52.21 2o2a s ARG 61 Cb -0.13 -0.66 0.92 0.00 -0.45 0.00 0.00 34.95 34.63 2o2a s ARG 61 CO 0.02 -0.27 1.77 -0.44 -0.68 0.00 0.00 175.30 175.70 2o2a h ASP 62 N 2.12 0.62 0.39 0.23 3.32 -2.04 -2.62 116.42 118.44 2o2a h ASP 62 Ca -0.39 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2o2a h ASP 62 Cb 1.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2o2a h ASP 62 CO 0.65 0.17 -0.71 -0.62 -1.72 0.00 0.00 179.24 177.01 2o2a n GLU 63 N -4.72 0.06 -3.50 3.56 4.71 -1.26 -4.74 120.64 114.76 2o2a n GLU 63 Ca 0.24 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.31 2o2a n GLU 63 Cb 0.72 -1.52 -0.02 0.00 -1.01 0.00 0.00 31.44 29.60 2o2a n GLU 63 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2o2a s PHE 64 N -3.04 -0.35 -0.11 -0.32 -0.12 -0.99 -2.09 117.98 110.95 2o2a s PHE 64 Ca 0.09 0.22 0.03 0.00 -0.05 0.00 0.00 56.93 57.22 2o2a s PHE 64 Cb 0.16 0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 43.09 2o2a s PHE 64 CO 0.76 -0.55 -0.21 0.08 -0.05 0.00 0.00 175.22 175.24 2o2a s VAL 65 N -3.12 2.32 -0.09 -2.49 1.01 -0.60 -0.63 120.40 116.79 2o2a s VAL 65 Ca 0.05 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2o2a s VAL 65 Cb -0.01 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2o2a s VAL 65 CO -0.09 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 174.81 2o2a s ILE 66 N 0.43 3.23 0.04 2.22 1.01 0.24 -0.94 121.20 127.43 2o2a s ILE 66 Ca -0.15 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 2o2a s ILE 66 Cb -0.17 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 2o2a s ILE 66 CO 0.06 0.56 0.09 -0.94 0.00 0.00 0.00 174.94 174.72 2o2a s SER 67 N -0.25 0.20 0.00 3.58 1.04 -0.31 -0.16 113.70 117.80 2o2a s SER 67 Ca 0.02 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2o2a s SER 67 Cb -0.13 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2o2a s SER 67 CO 0.03 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2o2a n GLY 68 N 0.65 -1.10 2.86 7.32 0.00 -0.70 0.21 105.19 114.43 2o2a n GLY 68 Ca -0.18 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.17 -0.04 1.61 1.01 -0.63 -1.37 120.40 117.80 2o2a s VAL 69 Ca 0.00 0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.34 2o2a s VAL 69 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 2o2a s VAL 69 CO 0.00 0.12 -0.25 -0.63 0.00 0.00 0.00 175.10 174.35 2o2a s ILE 70 N 1.85 1.99 0.19 2.22 1.01 0.07 -1.48 121.20 127.04 2o2a s ILE 70 Ca -0.02 -1.05 0.11 0.00 0.00 0.00 0.00 60.65 59.69 2o2a s ILE 70 Cb -0.12 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2o2a s ILE 70 CO -0.06 0.56 -0.22 -0.44 0.00 0.00 0.00 174.94 174.78 2o2a s SER 71 N -0.32 3.22 0.00 3.58 0.01 0.41 -0.07 113.70 120.54 2o2a s SER 71 Ca 0.02 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2o2a s SER 71 Cb -0.12 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2o2a s SER 71 CO 0.02 0.07 0.00 1.67 0.41 0.00 0.00 173.24 175.41 2o2a n GLN 72 N 0.23 0.00 0.00 12.44 7.27 -0.31 0.05 117.38 137.05 2o2a n GLN 72 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.95 2o2a n GLN 72 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 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 -3.47 1.69 0.00 0.32 -0.97 120.51 115.08 2o2a n ALA 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2o2a n ALA 74 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 3.43 -0.29 0.00 3.76 0.87 -0.45 115.29 122.61 2o2a s HIS 75 Ca 0.00 -1.80 -0.29 0.00 -0.15 0.00 0.00 55.06 52.82 2o2a s HIS 75 Cb 0.00 -3.60 0.00 0.00 1.11 0.00 0.00 32.58 30.09 2o2a s HIS 75 CO 0.00 -0.99 1.28 0.42 -0.85 0.00 0.00 174.74 174.60 2o2a s ILE 76 N 1.14 4.18 0.23 0.60 1.01 0.11 -1.76 121.20 126.71 2o2a s ILE 76 Ca 0.08 1.34 -0.28 0.00 0.00 0.00 0.00 60.65 61.79 2o2a s ILE 76 Cb -0.24 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 2o2a s ILE 76 CO -0.01 -0.44 0.89 -1.10 0.00 0.00 0.00 174.94 174.28 2o2a s GLN 77 N 4.07 4.75 -0.95 2.79 -1.52 0.99 -2.08 119.66 127.71 2o2a s GLN 77 Ca 0.55 1.38 0.00 0.00 -1.95 0.00 0.00 55.36 55.34 2o2a s GLN 77 Cb -0.17 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 2o2a s GLN 77 CO 0.22 0.51 0.00 0.41 -0.25 0.00 0.00 175.29 176.18 2o2a n GLY 78 N 1.44 1.05 3.08 3.09 0.00 -0.42 -4.46 105.19 108.97 2o2a n GLY 78 Ca -0.03 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.62 0.71 -0.34 1.61 1.81 -1.25 -5.00 118.95 113.88 2o2a s ARG 79 Ca 0.00 -0.62 0.01 0.00 -1.72 0.00 0.00 55.73 53.40 2o2a s ARG 79 Cb 0.00 -0.65 0.11 0.00 -0.45 0.00 0.00 34.95 33.96 2o2a s ARG 79 CO 0.00 0.16 0.11 -0.51 -0.68 0.00 0.00 175.30 174.38 2o2a s LEU 80 N -0.99 2.87 -0.16 2.53 1.43 -1.26 -3.02 118.68 120.07 2o2a s LEU 80 Ca -0.01 -1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 51.04 2o2a s LEU 80 Cb -0.07 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 2o2a s LEU 80 CO 0.01 -0.38 0.22 -0.63 0.23 0.00 0.00 176.35 175.79 2o2a s ILE 81 N 1.23 5.36 -0.17 -0.59 1.09 -1.26 -4.99 121.20 121.87 2o2a s ILE 81 Ca 0.11 0.38 -0.08 0.00 -1.10 0.00 0.00 60.65 59.96 2o2a s ILE 81 Cb -0.19 -3.54 -0.22 0.00 -1.06 0.00 0.00 42.46 37.44 2o2a s ILE 81 CO -0.17 0.45 0.19 0.59 -0.10 0.00 0.00 174.94 175.90 2o2a n ASN 82 N 3.23 2.04 -4.14 3.58 3.02 -1.26 -4.95 115.26 116.78 2o2a n ASN 82 Ca -0.15 0.20 -0.17 0.00 -0.03 0.00 0.00 54.58 54.43 2o2a n ASN 82 Cb 0.52 -0.80 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 2o2a n ASN 82 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2o2a s GLU 83 N -2.51 0.73 0.52 3.52 -1.05 -1.26 -5.06 118.70 113.59 2o2a s GLU 83 Ca -0.27 -0.90 0.17 0.00 -0.15 0.00 0.00 54.97 53.82 2o2a s GLU 83 Cb 0.07 -0.65 1.28 0.00 -0.44 0.00 0.00 34.13 34.39 2o2a s GLU 83 CO 0.69 0.14 2.13 -1.35 0.95 0.00 0.00 175.26 177.82 2o2a h PRO 84 N 4.33 0.00 0.00 -4.83 0.11 -1.92 -2.65 132.00 127.04 2o2a h PRO 84 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2o2a h PRO 84 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2o2a h PRO 84 CO 0.41 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.07 2o2a n SER 85 N -4.52 0.21 0.29 -2.05 3.41 -1.26 -1.60 113.62 108.09 2o2a n SER 85 Ca -0.02 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.31 2o2a n SER 85 Cb 0.14 -0.61 0.85 0.00 -0.26 0.00 0.00 64.21 64.33 2o2a n SER 85 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2o2a h GLU 86 N 0.00 0.00 -6.86 4.33 5.08 -1.92 -3.44 114.58 111.78 2o2a h GLU 86 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2o2a h GLU 86 Cb 0.11 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.43 2o2a h GLU 86 CO 0.00 0.04 0.68 -0.06 -1.00 0.00 0.00 179.01 178.67 2o2a s PHE 87 N -4.54 2.98 0.73 4.33 0.08 -0.63 -5.02 117.98 115.91 2o2a s PHE 87 Ca -0.04 1.30 -0.10 0.00 0.12 0.00 0.00 56.93 58.20 2o2a s PHE 87 Cb 0.15 -3.76 0.04 0.00 -0.57 0.00 0.00 43.02 38.88 2o2a s PHE 87 CO 0.57 -2.19 1.09 -1.54 -0.10 0.00 0.00 175.22 173.05 2o2a s SER 88 N -0.25 5.04 0.32 1.36 1.04 -1.26 -4.85 113.70 115.10 2o2a s SER 88 Ca 0.52 0.87 0.02 0.00 0.48 0.00 0.00 55.95 57.84 2o2a s SER 88 Cb -0.41 -1.56 0.60 0.00 0.10 0.00 0.00 66.02 64.75 2o2a s SER 88 CO 0.52 -1.55 1.93 1.56 0.98 0.00 0.00 173.24 176.68 2o2a h GLN 89 N -0.74 0.91 -0.05 4.02 4.20 -1.98 0.52 115.11 121.99 2o2a h GLN 89 Ca -0.45 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.05 2o2a h GLN 89 Cb 1.29 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 2o2a h GLN 89 CO 0.64 0.60 -0.66 -0.44 -0.67 0.00 0.00 178.83 178.30 2o2a h ASP 90 N 0.94 0.23 -0.41 1.46 5.19 -1.98 -0.45 116.42 121.40 2o2a h ASP 90 Ca 0.36 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2o2a h ASP 90 Cb 0.21 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2o2a h ASP 90 CO -0.13 0.82 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.30 2o2a h GLU 91 N 0.14 0.85 -0.33 3.56 5.08 -1.57 -0.34 114.58 121.98 2o2a h GLU 91 Ca -0.01 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 2o2a h GLU 91 Cb 1.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2o2a h GLU 91 CO 0.10 1.00 0.12 0.28 -1.00 0.00 0.00 179.01 179.51 2o2a h VAL 92 N 0.66 1.19 -0.01 3.13 2.07 -0.93 -0.22 116.25 122.15 2o2a h VAL 92 Ca 0.09 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2o2a h VAL 92 Cb 0.74 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2o2a h VAL 92 CO 0.06 0.21 -0.25 -0.08 0.02 0.00 0.00 177.57 177.53 2o2a h GLU 93 N 0.38 -0.37 -0.56 1.57 4.81 -0.93 0.57 114.58 120.05 2o2a h GLU 93 Ca 0.11 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 2o2a h GLU 93 Cb 0.21 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 29.56 2o2a h GLU 93 CO -0.01 -0.25 -0.33 -0.97 -0.73 0.00 0.00 179.01 176.72 2o2a h ASN 94 N -0.38 -1.15 -0.36 1.04 -0.73 -0.99 -1.57 115.58 111.44 2o2a h ASN 94 Ca 0.06 0.22 -0.10 0.00 1.87 0.00 0.00 56.30 58.35 2o2a h ASN 94 Cb 0.47 0.56 -0.02 0.00 0.27 0.00 0.00 38.32 39.61 2o2a h ASN 94 CO -0.23 -0.31 -0.14 -0.07 -0.37 0.00 0.00 177.43 176.31 2o2a h LEU 95 N -0.18 0.82 -0.26 0.34 3.38 -0.52 -3.16 115.31 115.72 2o2a h LEU 95 Ca 0.22 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2o2a h LEU 95 Cb 0.55 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2o2a h LEU 95 CO -0.65 0.97 -0.46 0.00 0.09 0.00 0.00 178.44 178.38 2o2a h ALA 96 N 1.10 0.75 -0.58 1.53 0.00 -0.70 -3.39 119.26 117.98 2o2a h ALA 96 Ca 0.12 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.71 2o2a h ALA 96 Cb 0.65 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 2o2a h ALA 96 CO 0.05 0.58 0.13 0.00 0.00 0.00 0.00 179.25 180.00 2o2a h ALA 97 N 1.54 0.68 0.00 0.00 0.00 -1.25 -1.37 119.26 118.85 2o2a h ALA 97 Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2o2a h ALA 97 Cb 1.25 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2o2a h ALA 97 CO 0.06 -0.30 -0.19 -1.35 0.00 0.00 0.00 179.25 177.47 2o2a h PRO 98 N 0.26 0.00 -0.09 0.00 0.11 -1.78 -0.82 132.00 129.69 2o2a h PRO 98 Ca 0.30 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 2o2a h PRO 98 Cb 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 2o2a h PRO 98 CO -0.38 0.19 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.46 2o2a h LEU 99 N 0.00 0.23 -0.83 2.35 3.38 -1.53 -2.59 115.31 116.31 2o2a h LEU 99 Ca -0.00 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2o2a h LEU 99 Cb 0.53 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2o2a h LEU 99 CO 0.03 0.65 0.40 -0.07 0.09 0.00 0.00 178.44 179.53 2o2a h LEU 100 N -0.19 1.10 -0.85 1.67 3.38 -1.11 -2.57 115.31 116.72 2o2a h LEU 100 Ca 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2o2a h LEU 100 Cb 0.58 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2o2a h LEU 100 CO 0.02 0.93 0.40 -0.08 0.09 0.00 0.00 178.44 179.80 2o2a h GLU 101 N 1.19 1.23 -0.48 1.13 4.57 -1.15 0.46 114.58 121.53 2o2a h GLU 101 Ca 0.29 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2o2a h GLU 101 Cb 0.12 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 2o2a h GLU 101 CO -0.04 0.95 0.26 0.82 -1.18 0.00 0.00 179.01 179.82 2o2a h ILE 102 N 1.22 0.99 -0.54 2.32 1.08 -1.25 -0.07 117.51 121.27 2o2a h ILE 102 Ca 0.29 -0.18 -0.10 0.00 -0.39 0.00 0.00 64.86 64.49 2o2a h ILE 102 Cb 0.13 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 2o2a h ILE 102 CO -0.04 0.09 -0.06 0.58 -0.69 0.00 0.00 178.15 178.04 2o2a h VAL 103 N 0.51 1.26 -0.34 1.67 2.07 -1.02 -0.54 116.25 119.87 2o2a h VAL 103 Ca 0.21 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.56 2o2a h VAL 103 Cb 0.09 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2o2a h VAL 103 CO -0.13 0.42 0.17 0.50 0.02 0.00 0.00 177.57 178.55 2o2a h LYS 104 N 0.88 0.34 -0.41 1.57 3.64 -0.61 -1.05 116.57 120.93 2o2a h LYS 104 Ca 0.15 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2o2a h LYS 104 Cb 0.60 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2o2a h LYS 104 CO 0.04 0.23 -0.21 0.00 -2.27 0.00 0.00 179.45 177.24 2o2a h ARG 105 N 0.35 0.86 -0.26 1.90 3.08 -0.65 -1.68 114.38 117.98 2o2a h ARG 105 Ca 0.14 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 2o2a h ARG 105 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2o2a h ARG 105 CO -0.10 1.02 0.11 -0.07 -1.07 0.00 0.00 179.97 179.86 2o2a h LEU 106 N 0.68 0.35 -0.74 3.04 3.38 -1.10 -2.71 115.31 118.21 2o2a h LEU 106 Ca 0.09 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2o2a h LEU 106 Cb 0.77 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2o2a h LEU 106 CO 0.06 0.41 0.03 0.74 0.09 0.00 0.00 178.44 179.77 2o2a h THR 107 N 0.27 1.26 0.17 0.22 2.02 -1.08 -1.79 112.91 113.98 2o2a h THR 107 Ca 0.09 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 2o2a h THR 107 Cb 0.16 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2o2a h THR 107 CO -0.01 0.39 -0.10 0.22 0.37 0.00 0.00 175.52 176.39 2o2a h TYR 108 N 0.92 -0.27 -0.39 3.16 3.20 -1.23 -1.58 116.97 120.78 2o2a h TYR 108 Ca 0.17 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 2o2a h TYR 108 Cb 0.50 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2o2a h TYR 108 CO 0.03 -0.17 -0.24 0.93 -1.64 0.00 0.00 178.16 177.07 2o2a h GLU 109 N -0.27 0.86 -0.23 1.82 4.39 -1.35 -0.74 114.58 119.06 2o2a h GLU 109 Ca -0.01 -0.40 -0.06 0.00 0.34 0.00 0.00 59.36 59.23 2o2a h GLU 109 Cb 0.22 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2o2a h GLU 109 CO 0.01 1.04 -0.07 0.28 -1.16 0.00 0.00 179.01 179.12 2o2a h VAL 110 N 0.67 1.29 -0.29 3.13 2.07 -1.36 -2.23 116.25 119.52 2o2a h VAL 110 Ca 0.08 -1.09 -0.18 0.00 0.82 0.00 0.00 66.70 66.33 2o2a h VAL 110 Cb 0.81 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2o2a h VAL 110 CO 0.07 0.34 -0.54 0.71 0.02 0.00 0.00 177.57 178.16 2o2a h THR 111 N 0.19 1.28 -0.60 2.57 1.35 -1.25 0.17 112.91 116.61 2o2a h THR 111 Ca 0.06 -1.73 0.12 0.00 -0.55 0.00 0.00 66.41 64.31 2o2a h THR 111 Cb 0.54 1.63 -0.10 0.00 -1.73 0.00 0.00 68.15 68.48 2o2a h THR 111 CO 0.03 0.56 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.77 2o2a h GLU 112 N 0.66 0.11 0.01 4.72 4.57 -1.14 -1.08 114.58 122.43 2o2a h GLU 112 Ca 0.02 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 2o2a h GLU 112 Cb 1.14 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.72 2o2a h GLU 112 CO 0.12 0.07 -0.51 0.82 -1.18 0.00 0.00 179.01 178.33 2o2a h ILE 113 N 0.11 1.47 -0.38 2.32 2.04 -1.15 -2.28 117.51 119.64 2o2a h ILE 113 Ca 0.31 -2.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.01 2o2a h ILE 113 Cb 0.50 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 2o2a h ILE 113 CO -0.52 0.59 -0.11 0.00 0.00 0.00 0.00 178.15 178.11 2o2a h ALA 114 N 0.28 1.09 0.00 1.87 0.00 -0.55 -3.33 119.26 118.62 2o2a h ALA 114 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2o2a h ALA 114 Cb 1.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2o2a h ALA 114 CO 0.10 0.56 -1.13 1.28 0.00 0.00 0.00 179.25 180.06 2o2a n LEU 115 N -4.18 0.11 -3.00 0.00 4.77 -0.42 -5.03 117.00 109.25 2o2a n LEU 115 Ca 0.01 -0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 2o2a n LEU 115 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2o2a n LEU 115 CO 0.42 0.03 0.22 -0.67 -1.33 0.00 0.00 177.39 176.05 2o2a n ASP 116 N -1.64 -7.80 0.00 -1.43 2.03 -0.86 -4.96 116.55 101.90 2o2a n ASP 116 Ca -0.01 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2o2a n ASP 116 Cb 0.20 -5.25 0.00 0.00 -0.72 0.00 0.00 41.12 35.35 2o2a n ASP 116 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2o2a n ARG 117 N -1.20 0.00 -1.75 -0.67 0.63 -1.25 -5.09 116.66 107.33 2o2a n ARG 117 Ca 0.04 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.55 2o2a n ARG 117 Cb 0.49 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.39 2o2a n ARG 117 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2o2a n PRO 118 N -0.51 2.60 -1.63 -0.14 -0.02 -1.26 -4.37 135.00 129.66 2o2a n PRO 118 Ca 0.00 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 2o2a n PRO 118 Cb 0.00 -2.66 0.01 0.00 -0.02 0.00 0.00 33.50 30.83 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 1.39 0.00 3.72 -1.23 0.00 -1.26 -4.71 105.19 103.10 2o2a n GLY 119 Ca 0.06 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.22 3.37 -0.36 1.61 1.01 -1.26 -4.89 120.40 118.67 2o2a s VAL 120 Ca 0.61 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 2o2a s VAL 120 Cb -0.57 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.24 2o2a s VAL 120 CO 0.58 0.11 0.10 0.28 0.00 0.00 0.00 175.10 176.17 2o2a s THR 121 N 0.70 2.92 0.32 3.92 -1.32 -1.26 -3.38 115.64 117.53 2o2a s THR 121 Ca 0.61 -1.94 -0.28 0.00 -1.21 0.00 0.00 61.69 58.87 2o2a s THR 121 Cb -0.36 -2.94 -0.09 0.00 -1.51 0.00 0.00 72.50 67.60 2o2a s THR 121 CO 0.33 -0.49 1.08 -0.76 -2.21 0.00 0.00 174.62 172.57 2o2a s LEU 122 N 1.11 4.41 -0.07 9.08 1.43 -1.26 -5.05 118.68 128.33 2o2a s LEU 122 Ca 0.05 2.20 -0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2o2a s LEU 122 Cb -0.21 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.22 2o2a s LEU 122 CO -0.04 -0.27 -0.03 -1.61 0.23 0.00 0.00 176.35 174.62 2o2a s GLU 123 N -1.81 0.87 0.00 1.70 0.41 -1.26 -4.99 118.70 113.63 2o2a s GLU 123 Ca 0.49 -0.05 0.25 0.00 -0.41 0.00 0.00 54.97 55.25 2o2a s GLU 123 Cb -0.29 -1.02 0.50 0.00 -1.78 0.00 0.00 34.13 31.54 2o2a s GLU 123 CO 0.37 -0.19 1.44 1.19 -0.49 0.00 0.00 175.26 177.57