#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj1 s VAL 2 N 0.00 3.85 -0.05 6.31 1.01 -1.26 -3.99 120.40 126.27 1bj1 s VAL 2 Ca 0.00 1.47 -0.21 0.00 0.00 0.00 0.00 61.98 63.24 1bj1 s VAL 2 Cb 0.00 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1bj1 s VAL 2 CO 0.00 0.19 0.47 0.00 0.00 0.00 0.00 175.10 175.76 1bj1 s GLN 3 N 0.23 0.80 -0.10 2.72 -2.07 -0.67 -4.99 119.66 115.57 1bj1 s GLN 3 Ca 0.54 0.08 0.02 0.00 -1.82 0.00 0.00 55.36 54.18 1bj1 s GLN 3 Cb -0.30 0.37 0.01 0.00 -1.09 0.00 0.00 33.01 32.00 1bj1 s GLN 3 CO 0.33 -0.22 -0.16 -0.51 -1.32 0.00 0.00 175.29 173.41 1bj1 s LEU 4 N -1.07 1.76 -0.16 2.60 1.02 -1.26 -1.70 118.68 119.87 1bj1 s LEU 4 Ca -0.11 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 53.62 1bj1 s LEU 4 Cb -0.03 -1.10 0.02 0.00 0.02 0.00 0.00 46.19 45.10 1bj1 s LEU 4 CO 0.06 0.03 -0.18 -0.69 0.02 0.00 0.00 176.35 175.59 1bj1 s VAL 5 N 0.88 1.87 0.24 -1.59 1.01 -0.28 -4.00 120.40 118.54 1bj1 s VAL 5 Ca -0.09 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1bj1 s VAL 5 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1bj1 s VAL 5 CO -0.00 0.51 0.34 -1.61 0.00 0.00 0.00 175.10 174.34 1bj1 s GLU 6 N 1.29 3.40 0.13 2.72 2.02 -1.26 -0.54 118.70 126.46 1bj1 s GLU 6 Ca 0.03 -0.78 -0.26 0.00 0.02 0.00 0.00 54.97 53.99 1bj1 s GLU 6 Cb -0.13 -2.86 0.07 0.00 0.10 0.00 0.00 34.13 31.30 1bj1 s GLU 6 CO -0.11 0.43 0.97 -1.54 0.02 0.00 0.00 175.26 175.04 1bj1 s SER 7 N -3.95 -0.19 0.00 -0.19 1.04 -0.78 -4.94 113.70 104.69 1bj1 s SER 7 Ca 0.34 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1bj1 s SER 7 Cb -0.09 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1bj1 s SER 7 CO 0.29 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1bj1 n GLY 8 N -0.45 0.58 2.17 7.32 0.00 -1.26 -0.92 105.19 112.63 1bj1 n GLY 8 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1bj1 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bj1 n GLY 9 N -1.42 -1.99 0.00 -0.02 0.00 -1.26 -4.69 105.19 95.81 1bj1 n GLY 9 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1bj1 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bj1 n GLY 10 N -0.96 0.83 3.76 -0.02 0.00 0.20 -4.97 105.19 104.04 1bj1 n GLY 10 Ca 0.09 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 1bj1 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bj1 s LEU 11 N 0.00 4.50 -0.03 0.99 0.20 -1.26 -1.83 118.68 121.26 1bj1 s LEU 11 Ca 0.00 2.38 -0.07 0.00 0.69 0.00 0.00 54.13 57.13 1bj1 s LEU 11 Cb 0.00 -3.66 0.01 0.00 -0.43 0.00 0.00 46.19 42.11 1bj1 s LEU 11 CO 0.00 -0.27 0.16 0.54 -0.29 0.00 0.00 176.35 176.49 1bj1 s VAL 12 N -1.17 0.05 0.33 1.68 0.11 -0.54 -4.93 120.40 115.93 1bj1 s VAL 12 Ca 0.46 -0.37 -0.19 0.00 -2.93 0.00 0.00 61.98 58.94 1bj1 s VAL 12 Cb -0.34 -0.35 -0.10 0.00 -1.53 0.00 0.00 36.38 34.06 1bj1 s VAL 12 CO 0.44 -0.21 0.83 -1.10 -3.33 0.00 0.00 175.10 171.73 1bj1 s GLN 13 N -0.72 4.21 0.26 1.54 -0.21 -1.25 -0.75 119.66 122.74 1bj1 s GLN 13 Ca -0.08 0.94 -0.31 0.00 0.02 0.00 0.00 55.36 55.93 1bj1 s GLN 13 Cb -0.05 -2.50 -0.12 0.00 1.00 0.00 0.00 33.01 31.34 1bj1 s GLN 13 CO 0.01 0.17 1.59 -2.30 -2.12 0.00 0.00 175.29 172.64 1bj1 n PRO 14 N -0.09 2.60 0.00 2.91 -0.02 -1.26 0.43 135.00 139.58 1bj1 n PRO 14 Ca 0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1bj1 n PRO 14 Cb 0.52 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1bj1 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bj1 n GLY 15 N 2.54 1.53 3.86 -1.23 0.00 0.11 -4.92 105.19 107.09 1bj1 n GLY 15 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1bj1 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bj1 s GLY 16 N -2.30 1.78 0.14 -0.02 0.00 0.17 -4.10 107.32 102.99 1bj1 s GLY 16 Ca 0.00 -1.29 0.05 0.00 0.00 0.00 0.00 44.72 43.49 1bj1 s GLY 16 CO 0.00 -0.42 -0.13 -0.56 0.00 0.00 0.00 173.10 171.99 1bj1 s SER 17 N -4.76 1.96 -0.14 1.64 0.01 -1.26 -1.93 113.70 109.21 1bj1 s SER 17 Ca 0.76 -0.89 -0.22 0.00 1.31 0.00 0.00 55.95 56.91 1bj1 s SER 17 Cb -0.03 -0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.20 1bj1 s SER 17 CO 0.54 -0.21 0.55 -0.76 0.41 0.00 0.00 173.24 173.77 1bj1 s LEU 18 N -2.77 -0.12 -0.19 2.44 1.43 -0.63 -4.98 118.68 113.86 1bj1 s LEU 18 Ca 0.12 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1bj1 s LEU 18 Cb -0.02 1.98 0.04 0.00 0.03 0.00 0.00 46.19 48.22 1bj1 s LEU 18 CO 0.02 -0.35 -0.10 -0.60 0.23 0.00 0.00 176.35 175.55 1bj1 s ARG 19 N -0.36 2.02 0.18 1.70 3.52 -1.26 -0.43 118.95 124.32 1bj1 s ARG 19 Ca -0.05 -0.76 -0.12 0.00 -0.13 0.00 0.00 55.73 54.66 1bj1 s ARG 19 Cb -0.03 -2.33 -0.07 0.00 -1.56 0.00 0.00 34.95 30.96 1bj1 s ARG 19 CO 0.04 -0.39 0.54 -0.51 -0.81 0.00 0.00 175.30 174.16 1bj1 s LEU 20 N 1.43 4.27 0.10 -0.88 1.43 0.78 -4.68 118.68 121.12 1bj1 s LEU 20 Ca -0.00 0.99 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 1bj1 s LEU 20 Cb -0.16 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1bj1 s LEU 20 CO -0.09 0.04 -0.22 -0.94 0.23 0.00 0.00 176.35 175.37 1bj1 s SER 21 N -1.99 2.70 -0.23 2.29 1.04 -0.09 -1.09 113.70 116.33 1bj1 s SER 21 Ca 0.41 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1bj1 s SER 21 Cb -0.13 -0.17 0.07 0.00 0.10 0.00 0.00 66.02 65.89 1bj1 s SER 21 CO 0.20 0.11 0.03 0.00 0.98 0.00 0.00 173.24 174.55 1bj1 s ALA 23 N 1.67 3.59 -0.07 0.00 0.00 0.29 -1.13 121.76 126.12 1bj1 s ALA 23 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 1bj1 s ALA 23 Cb -0.18 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1bj1 s ALA 23 CO -0.11 -0.69 0.21 0.00 0.00 0.00 0.00 175.76 175.17 1bj1 s ALA 24 N 2.21 3.85 0.03 0.00 0.00 -0.08 -1.12 121.76 126.64 1bj1 s ALA 24 Ca 0.24 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 1bj1 s ALA 24 Cb -0.16 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.93 1bj1 s ALA 24 CO 0.09 0.61 0.28 -1.54 0.00 0.00 0.00 175.76 175.20 1bj1 s SER 25 N -1.22 -0.11 0.00 0.00 1.04 -0.69 -4.88 113.70 107.85 1bj1 s SER 25 Ca 0.20 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1bj1 s SER 25 Cb -0.13 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1bj1 s SER 25 CO 0.09 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1bj1 n GLY 26 N 0.75 0.75 3.82 7.32 0.00 -1.26 -1.66 105.19 114.92 1bj1 n GLY 26 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 1bj1 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bj1 s TYR 27 N -2.75 -0.06 -0.64 1.61 1.13 -1.26 -4.40 117.35 110.98 1bj1 s TYR 27 Ca 0.00 -0.39 -0.24 0.00 -1.41 0.00 0.00 57.07 55.03 1bj1 s TYR 27 Cb 0.00 0.72 0.05 0.00 -1.10 0.00 0.00 41.96 41.63 1bj1 s TYR 27 CO 0.00 -1.14 1.04 0.99 -2.51 0.00 0.00 175.55 173.93 1bj1 s THR 28 N -3.11 4.20 0.32 -3.49 2.01 -1.26 -4.92 115.64 109.38 1bj1 s THR 28 Ca 0.14 0.07 0.11 0.00 0.31 0.00 0.00 61.69 62.32 1bj1 s THR 28 Cb -0.04 -4.69 0.36 0.00 0.01 0.00 0.00 72.50 68.14 1bj1 s THR 28 CO 0.06 -1.43 1.48 0.33 -0.69 0.00 0.00 174.62 174.38 1bj1 n PHE 29 N 8.02 0.85 1.89 4.92 7.35 -1.26 -0.41 117.46 138.82 1bj1 n PHE 29 Ca 0.00 1.12 0.10 0.00 -0.76 0.00 0.00 57.45 57.92 1bj1 n PHE 29 Cb 0.47 -1.36 0.61 0.00 0.35 0.00 0.00 39.48 39.55 1bj1 n PHE 29 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bj1 n THR 30 N -5.26 0.00 0.46 -2.13 -2.24 -1.26 -3.55 114.28 100.29 1bj1 n THR 30 Ca 0.29 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.18 1bj1 n THR 30 Cb 0.97 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1bj1 n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bj1 n ASN 31 N -0.84 0.59 -3.94 3.42 3.02 0.45 -4.05 115.26 113.92 1bj1 n ASN 31 Ca 0.15 -0.12 -0.17 0.00 -0.03 0.00 0.00 54.58 54.42 1bj1 n ASN 31 Cb 0.07 0.84 -0.15 0.00 -0.61 0.00 0.00 39.78 39.93 1bj1 n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1bj1 s TYR 32 N -3.25 0.55 0.86 3.10 2.02 -1.23 -5.07 117.35 114.33 1bj1 s TYR 32 Ca 0.02 -0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 56.51 1bj1 s TYR 32 Cb 0.14 -0.40 0.11 0.00 -0.40 0.00 0.00 41.96 41.41 1bj1 s TYR 32 CO 0.81 -0.05 1.12 0.20 -1.57 0.00 0.00 175.55 176.06 1bj1 s GLY 33 N 0.17 1.68 -0.10 0.71 0.00 -1.26 -4.56 107.32 103.96 1bj1 s GLY 33 Ca -0.02 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.19 1bj1 s GLY 33 CO -0.00 0.85 -0.21 -0.29 0.00 0.00 0.00 173.10 173.44 1bj1 s MET 34 N -4.75 2.75 0.24 2.90 1.75 -0.92 -2.01 119.30 119.26 1bj1 s MET 34 Ca 0.65 -0.77 0.07 0.00 -1.25 0.00 0.00 55.69 54.38 1bj1 s MET 34 Cb -0.21 -2.11 -0.04 0.00 2.84 0.00 0.00 34.83 35.31 1bj1 s MET 34 CO 0.57 0.13 0.17 -0.80 -0.65 0.00 0.00 175.02 174.45 1bj1 s ASN 35 N 0.45 5.45 -0.09 1.11 0.01 0.16 -0.51 114.94 121.53 1bj1 s ASN 35 Ca -0.17 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1bj1 s ASN 35 Cb -0.17 -1.37 0.02 0.00 0.41 0.00 0.00 41.25 40.14 1bj1 s ASN 35 CO 0.07 -0.02 -0.08 0.26 -1.51 0.00 0.00 177.10 175.82 1bj1 s TRP 36 N -2.08 1.35 0.02 2.20 0.52 -0.53 -1.62 118.94 118.79 1bj1 s TRP 36 Ca 0.32 -0.58 0.05 0.00 0.02 0.00 0.00 56.10 55.91 1bj1 s TRP 36 Cb -0.08 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1bj1 s TRP 36 CO 0.24 -0.38 -0.14 0.08 0.02 0.00 0.00 176.95 176.77 1bj1 s VAL 37 N 1.27 1.09 0.14 4.03 1.01 -0.36 -0.85 120.40 126.73 1bj1 s VAL 37 Ca -0.04 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1bj1 s VAL 37 Cb -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1bj1 s VAL 37 CO -0.03 0.15 -0.17 0.00 0.00 0.00 0.00 175.10 175.04 1bj1 s ARG 38 N -0.75 1.18 -0.23 2.72 1.70 0.45 -0.43 118.95 123.59 1bj1 s ARG 38 Ca 0.03 -1.33 -0.04 0.00 -0.47 0.00 0.00 55.73 53.92 1bj1 s ARG 38 Cb -0.07 -1.20 0.08 0.00 -0.57 0.00 0.00 34.95 33.19 1bj1 s ARG 38 CO 0.00 0.25 0.10 -1.14 -1.08 0.00 0.00 175.30 173.43 1bj1 s GLN 39 N -2.65 0.19 0.61 3.89 0.74 -0.63 -1.06 119.66 120.75 1bj1 s GLN 39 Ca 0.12 -0.35 -0.19 0.00 0.05 0.00 0.00 55.36 55.00 1bj1 s GLN 39 Cb -0.06 -1.56 -0.02 0.00 1.10 0.00 0.00 33.01 32.47 1bj1 s GLN 39 CO 0.05 -0.84 1.28 0.00 -0.55 0.00 0.00 175.29 175.24 1bj1 s ALA 40 N 2.08 2.50 -0.34 1.58 0.00 -1.25 -2.54 121.76 123.78 1bj1 s ALA 40 Ca 0.05 1.18 -0.37 0.00 0.00 0.00 0.00 51.96 52.83 1bj1 s ALA 40 Cb -0.16 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.30 1bj1 s ALA 40 CO -0.22 -1.44 2.11 -2.30 0.00 0.00 0.00 175.76 173.92 1bj1 n PRO 41 N -1.66 1.03 -1.02 0.00 -0.02 -1.26 -0.41 135.00 131.66 1bj1 n PRO 41 Ca 0.14 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 1bj1 n PRO 41 Cb 0.48 -2.33 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1bj1 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bj1 n GLY 42 N 6.25 0.48 0.00 -1.23 0.00 -1.26 -5.02 105.19 104.41 1bj1 n GLY 42 Ca 0.40 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1bj1 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bj1 n LYS 43 N -2.74 2.52 -0.20 1.61 5.02 0.46 -5.16 118.16 119.67 1bj1 n LYS 43 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1bj1 n LYS 43 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 1bj1 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bj1 n GLY 44 N 5.00 -0.23 3.84 0.72 0.00 -1.26 -4.74 105.19 108.52 1bj1 n GLY 44 Ca 0.00 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 1bj1 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bj1 s LEU 45 N 0.00 4.19 -0.02 0.99 1.43 -1.26 -3.96 118.68 120.05 1bj1 s LEU 45 Ca 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1bj1 s LEU 45 Cb 0.00 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1bj1 s LEU 45 CO 0.00 0.36 -0.00 -0.70 0.23 0.00 0.00 176.35 176.24 1bj1 s GLU 46 N -1.29 0.24 -0.20 1.70 2.12 -0.22 -4.99 118.70 116.05 1bj1 s GLU 46 Ca 0.18 0.06 -0.23 0.00 0.36 0.00 0.00 54.97 55.34 1bj1 s GLU 46 Cb -0.12 -0.40 -0.02 0.00 0.26 0.00 0.00 34.13 33.86 1bj1 s GLU 46 CO 0.08 -0.10 0.73 -0.46 -0.54 0.00 0.00 175.26 174.97 1bj1 s TRP 47 N 0.83 3.37 -0.11 5.30 -0.00 -1.26 -0.41 118.94 126.65 1bj1 s TRP 47 Ca -0.08 1.06 -0.21 0.00 -0.00 0.00 0.00 56.10 56.86 1bj1 s TRP 47 Cb -0.11 -2.92 -0.27 0.00 -0.00 0.00 0.00 33.47 30.17 1bj1 s TRP 47 CO -0.02 -0.26 0.65 0.28 -0.00 0.00 0.00 176.95 177.61 1bj1 h VAL 48 N 5.26 1.33 0.00 5.86 2.07 -1.37 -3.42 116.25 125.98 1bj1 h VAL 48 Ca -0.29 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1bj1 h VAL 48 Cb 1.13 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1bj1 h VAL 48 CO 0.81 0.63 0.00 0.61 0.02 0.00 0.00 177.57 179.64 1bj1 n GLY 49 N 1.64 -1.43 3.26 2.17 0.00 -1.21 -0.48 105.19 109.14 1bj1 n GLY 49 Ca -0.19 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1bj1 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1bj1 s TRP 50 N -2.96 0.67 -0.02 1.61 1.48 -0.34 -1.45 118.94 117.93 1bj1 s TRP 50 Ca 0.00 -1.02 0.03 0.00 -1.06 0.00 0.00 56.10 54.05 1bj1 s TRP 50 Cb 0.00 -0.27 -0.00 0.00 -1.16 0.00 0.00 33.47 32.04 1bj1 s TRP 50 CO 0.00 -0.64 -0.11 -1.50 -4.06 0.00 0.00 176.95 170.64 1bj1 s ILE 51 N -4.02 0.89 -0.35 0.66 2.07 0.34 -0.81 121.20 119.97 1bj1 s ILE 51 Ca 0.23 -0.44 -0.29 0.00 -1.41 0.00 0.00 60.65 58.73 1bj1 s ILE 51 Cb 0.05 -0.77 0.01 0.00 0.13 0.00 0.00 42.46 41.89 1bj1 s ILE 51 CO 0.03 0.26 1.18 0.21 -1.91 0.00 0.00 174.94 174.71 1bj1 s ASN 52 N 0.01 6.76 0.00 4.50 3.84 0.66 -2.17 114.94 128.54 1bj1 s ASN 52 Ca -0.00 0.98 0.29 0.00 0.21 0.00 0.00 52.86 54.34 1bj1 s ASN 52 Cb -0.07 -2.54 1.48 0.00 -0.55 0.00 0.00 41.25 39.57 1bj1 s ASN 52 CO 0.00 -1.04 2.00 0.35 -2.79 0.00 0.00 177.10 175.62 1bj1 n THR 53 N 6.22 0.06 -0.03 -5.21 -2.24 -1.26 -0.26 114.28 111.57 1bj1 n THR 53 Ca 0.13 0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.72 1bj1 n THR 53 Cb 0.47 -0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 68.02 1bj1 n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bj1 n TYR 54 N -1.24 1.02 0.24 4.78 9.36 -1.26 -4.59 117.16 125.47 1bj1 n TYR 54 Ca 0.15 0.23 0.04 0.00 3.32 0.00 0.00 57.90 61.64 1bj1 n TYR 54 Cb 0.21 -1.13 -0.06 0.00 -0.63 0.00 0.00 39.34 37.73 1bj1 n TYR 54 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1bj1 n THR 55 N -3.51 0.00 0.00 2.97 -2.24 -1.23 -5.02 114.28 105.25 1bj1 n THR 55 Ca -0.35 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1bj1 n THR 55 Cb 1.02 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 1bj1 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bj1 n GLY 56 N 1.53 1.75 3.70 3.38 0.00 0.65 -5.03 105.19 111.16 1bj1 n GLY 56 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1bj1 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bj1 s GLU 57 N -0.43 4.32 0.18 1.61 2.02 -1.24 -4.68 118.70 120.48 1bj1 s GLU 57 Ca 0.00 1.97 0.04 0.00 0.02 0.00 0.00 54.97 57.00 1bj1 s GLU 57 Cb 0.00 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1bj1 s GLU 57 CO 0.00 -0.47 0.23 -1.25 0.02 0.00 0.00 175.26 173.78 1bj1 s PRO 58 N 1.72 3.17 -0.04 0.39 0.04 -1.26 -0.24 135.00 138.78 1bj1 s PRO 58 Ca 0.63 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1bj1 s PRO 58 Cb -0.33 -2.78 0.03 0.00 0.04 0.00 0.00 34.50 31.45 1bj1 s PRO 58 CO 0.28 0.48 0.00 0.99 0.04 0.00 0.00 177.00 178.79 1bj1 s THR 59 N -1.83 0.19 0.05 1.26 2.01 0.01 -4.99 115.64 112.34 1bj1 s THR 59 Ca 0.33 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.48 1bj1 s THR 59 Cb -0.10 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1bj1 s THR 59 CO 0.26 0.16 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.97 1bj1 s TYR 60 N 1.20 2.85 0.31 4.92 2.02 -1.26 -1.20 117.35 126.19 1bj1 s TYR 60 Ca -0.07 -0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 1bj1 s TYR 60 Cb -0.13 -1.54 -0.10 0.00 -0.40 0.00 0.00 41.96 39.79 1bj1 s TYR 60 CO -0.02 0.40 1.16 0.00 -1.57 0.00 0.00 175.55 175.52 1bj1 s ALA 61 N -1.11 3.40 0.40 3.71 0.00 0.36 -4.87 121.76 123.66 1bj1 s ALA 61 Ca 0.20 1.00 0.22 0.00 0.00 0.00 0.00 51.96 53.37 1bj1 s ALA 61 Cb -0.11 -3.37 1.22 0.00 0.00 0.00 0.00 23.12 20.86 1bj1 s ALA 61 CO 0.11 -0.33 1.69 0.00 0.00 0.00 0.00 175.76 177.23 1bj1 h ALA 62 N 3.53 2.35 0.00 0.00 0.00 -1.94 -0.86 119.26 122.34 1bj1 h ALA 62 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1bj1 h ALA 62 Cb 1.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1bj1 h ALA 62 CO 0.66 -0.89 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 1bj1 n ASP 63 N -4.76 0.34 -0.20 0.00 8.00 -1.26 -3.05 116.55 115.63 1bj1 n ASP 63 Ca 0.31 0.59 0.04 0.00 0.71 0.00 0.00 54.79 56.44 1bj1 n ASP 63 Cb 1.11 -0.66 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1bj1 n ASP 63 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bj1 n PHE 64 N -1.89 0.00 -0.32 1.24 3.72 -0.33 -4.68 117.46 115.20 1bj1 n PHE 64 Ca 0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.46 1bj1 n PHE 64 Cb 0.17 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.89 1bj1 n PHE 64 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1bj1 h LYS 65 N 0.96 0.90 0.00 -1.08 3.11 -1.52 -2.28 116.57 116.66 1bj1 h LYS 65 Ca 0.00 -0.05 -0.16 0.00 -2.81 0.00 0.00 60.65 57.62 1bj1 h LYS 65 Cb 0.26 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.26 1bj1 h LYS 65 CO 0.00 0.59 -0.78 -0.09 -2.81 0.00 0.00 179.45 176.37 1bj1 h ARG 66 N 0.92 0.00 -0.00 1.90 2.43 -1.83 -3.38 114.38 114.42 1bj1 h ARG 66 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1bj1 h ARG 66 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1bj1 h ARG 66 CO -0.23 0.78 -0.06 0.54 -1.51 0.00 0.00 179.97 179.49 1bj1 n ARG 67 N -3.56 3.43 -4.43 0.20 1.74 -1.19 -5.05 116.66 107.80 1bj1 n ARG 67 Ca -0.00 -0.26 -0.31 0.00 -0.77 0.00 0.00 57.85 56.50 1bj1 n ARG 67 Cb 0.77 -0.78 -0.11 0.00 -1.02 0.00 0.00 32.46 31.31 1bj1 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bj1 s PHE 68 N -0.78 2.74 -0.08 -1.55 0.40 -0.86 -1.38 117.98 116.47 1bj1 s PHE 68 Ca 0.02 -0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.19 1bj1 s PHE 68 Cb 0.02 -1.50 0.03 0.00 0.51 0.00 0.00 43.02 42.07 1bj1 s PHE 68 CO 0.06 0.36 0.01 0.99 0.70 0.00 0.00 175.22 177.34 1bj1 s THR 69 N -1.06 0.30 0.03 0.64 2.01 -0.12 -4.79 115.64 112.66 1bj1 s THR 69 Ca 0.18 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.14 1bj1 s THR 69 Cb -0.11 -0.51 -0.06 0.00 0.01 0.00 0.00 72.50 71.83 1bj1 s THR 69 CO 0.09 0.21 0.47 -0.36 -0.69 0.00 0.00 174.62 174.34 1bj1 s PHE 70 N 2.00 3.75 0.21 4.92 0.08 -1.26 -1.27 117.98 126.41 1bj1 s PHE 70 Ca 0.05 1.10 -0.11 0.00 0.12 0.00 0.00 56.93 58.09 1bj1 s PHE 70 Cb -0.13 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1bj1 s PHE 70 CO -0.05 0.62 0.38 -1.54 -0.10 0.00 0.00 175.22 174.52 1bj1 s SER 71 N -1.12 -0.03 0.11 1.36 1.04 -0.77 -4.91 113.70 109.37 1bj1 s SER 71 Ca 0.26 -0.92 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 1bj1 s SER 71 Cb -0.18 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 1bj1 s SER 71 CO 0.16 -1.01 0.18 -1.48 0.98 0.00 0.00 173.24 172.06 1bj1 s LEU 72 N -3.00 1.45 -0.38 2.42 2.34 -1.26 -0.45 118.68 119.80 1bj1 s LEU 72 Ca 0.21 -0.81 0.01 0.00 0.06 0.00 0.00 54.13 53.60 1bj1 s LEU 72 Cb 0.02 0.91 0.13 0.00 -0.56 0.00 0.00 46.19 46.69 1bj1 s LEU 72 CO 0.05 -0.76 0.20 -0.62 -1.06 0.00 0.00 176.35 174.17 1bj1 s ASP 73 N -2.92 3.39 0.53 1.48 -1.08 -0.42 -4.99 116.67 112.66 1bj1 s ASP 73 Ca 0.10 -2.25 0.22 0.00 -0.52 0.00 0.00 52.55 50.10 1bj1 s ASP 73 Cb 0.05 -0.70 1.41 0.00 -1.46 0.00 0.00 42.92 42.22 1bj1 s ASP 73 CO -0.07 -0.31 2.14 0.71 0.52 0.00 0.00 175.17 178.16 1bj1 h THR 74 N 5.35 0.82 0.00 1.71 1.35 -1.96 -0.41 112.91 119.77 1bj1 h THR 74 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1bj1 h THR 74 Cb 0.96 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1bj1 h THR 74 CO 0.38 0.06 0.00 -1.54 -0.25 0.00 0.00 175.52 174.17 1bj1 n SER 75 N -4.14 0.14 -0.05 5.36 3.41 -1.26 -1.90 113.62 115.18 1bj1 n SER 75 Ca -0.03 0.53 0.02 0.00 -0.26 0.00 0.00 58.87 59.13 1bj1 n SER 75 Cb 0.14 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 1bj1 n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bj1 n LYS 76 N -1.65 3.47 -3.63 4.33 5.02 -0.27 -5.01 118.16 120.41 1bj1 n LYS 76 Ca 0.04 -0.27 -0.23 0.00 -2.02 0.00 0.00 58.31 55.83 1bj1 n LYS 76 Cb 0.20 -0.81 0.06 0.00 -0.02 0.00 0.00 35.03 34.47 1bj1 n LYS 76 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1bj1 n SER 77 N -0.58 -3.84 -4.16 4.39 7.64 -0.55 -4.74 113.62 111.78 1bj1 n SER 77 Ca 0.01 -0.66 -0.21 0.00 1.01 0.00 0.00 58.87 59.01 1bj1 n SER 77 Cb 0.06 -4.64 -0.14 0.00 -1.01 0.00 0.00 64.21 58.48 1bj1 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bj1 s THR 78 N -3.40 1.21 0.06 0.44 2.01 -1.05 -0.91 115.64 114.00 1bj1 s THR 78 Ca 0.32 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.45 1bj1 s THR 78 Cb -0.15 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1bj1 s THR 78 CO 0.77 0.10 -0.22 0.00 -0.69 0.00 0.00 174.62 174.58 1bj1 s ALA 79 N -0.74 2.45 0.13 7.40 0.00 -0.28 -1.30 121.76 129.42 1bj1 s ALA 79 Ca 0.03 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1bj1 s ALA 79 Cb -0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1bj1 s ALA 79 CO 0.01 0.56 -0.17 0.71 0.00 0.00 0.00 175.76 176.87 1bj1 s TYR 80 N -0.91 1.62 -0.16 0.00 2.02 0.40 0.27 117.35 120.59 1bj1 s TYR 80 Ca 0.14 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1bj1 s TYR 80 Cb -0.10 -0.85 0.05 0.00 -0.40 0.00 0.00 41.96 40.66 1bj1 s TYR 80 CO 0.04 0.21 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.05 1bj1 s LEU 81 N -2.33 1.37 -0.26 -1.29 2.96 -0.25 -1.86 118.68 117.02 1bj1 s LEU 81 Ca 0.10 -0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 1bj1 s LEU 81 Cb -0.07 -0.76 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 1bj1 s LEU 81 CO 0.04 -0.22 0.15 -1.58 -1.32 0.00 0.00 176.35 173.42 1bj1 s GLN 82 N 1.74 3.91 -0.17 1.98 2.00 -0.40 -0.16 119.66 128.56 1bj1 s GLN 82 Ca 0.01 -0.34 -0.02 0.00 -2.00 0.00 0.00 55.36 53.00 1bj1 s GLN 82 Cb -0.15 -3.55 -0.01 0.00 0.80 0.00 0.00 33.01 30.10 1bj1 s GLN 82 CO -0.07 -0.11 -0.09 -1.64 -0.50 0.00 0.00 175.29 172.87 1bj1 s MET 83 N 1.53 3.38 0.31 1.67 -1.94 0.43 -0.95 119.30 123.72 1bj1 s MET 83 Ca 0.07 -0.65 0.11 0.00 -1.71 0.00 0.00 55.69 53.50 1bj1 s MET 83 Cb -0.15 -2.81 -0.06 0.00 2.01 0.00 0.00 34.83 33.82 1bj1 s MET 83 CO 0.08 0.01 -0.15 -0.80 -0.01 0.00 0.00 175.02 174.15 1bj1 s ASN 84 N 0.89 3.64 -1.33 3.03 0.01 -0.48 -1.61 114.94 119.09 1bj1 s ASN 84 Ca -0.02 -1.10 -0.02 0.00 -0.71 0.00 0.00 52.86 51.00 1bj1 s ASN 84 Cb -0.15 -0.32 -0.00 0.00 0.41 0.00 0.00 41.25 41.19 1bj1 s ASN 84 CO 0.00 -0.07 0.58 -1.20 -1.51 0.00 0.00 177.10 174.90 1bj1 n SER 85 N -0.69 -1.24 -4.77 -1.22 7.64 -1.03 -4.85 113.62 107.46 1bj1 n SER 85 Ca -0.05 -0.93 -0.41 0.00 1.01 0.00 0.00 58.87 58.49 1bj1 n SER 85 Cb 0.62 -3.52 -0.01 0.00 -1.01 0.00 0.00 64.21 60.28 1bj1 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1bj1 s LEU 86 N -6.77 4.37 0.45 -3.43 1.43 -0.81 -4.60 118.68 109.32 1bj1 s LEU 86 Ca 0.06 2.86 0.05 0.00 -1.03 0.00 0.00 54.13 56.06 1bj1 s LEU 86 Cb -0.02 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 1bj1 s LEU 86 CO 0.85 -0.73 0.06 -0.13 0.23 0.00 0.00 176.35 176.63 1bj1 s ARG 87 N -1.59 2.10 0.35 1.70 0.52 -1.26 -0.71 118.95 120.06 1bj1 s ARG 87 Ca 0.53 -2.15 0.10 0.00 -0.52 0.00 0.00 55.73 53.70 1bj1 s ARG 87 Cb -0.44 -1.69 0.65 0.00 0.52 0.00 0.00 34.95 33.99 1bj1 s ARG 87 CO 0.55 -0.19 1.80 0.00 0.02 0.00 0.00 175.30 177.48 1bj1 h ALA 88 N 1.52 1.32 0.00 2.13 0.00 -1.97 -2.33 119.26 119.93 1bj1 h ALA 88 Ca -0.43 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1bj1 h ALA 88 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bj1 h ALA 88 CO 0.76 0.48 0.00 -0.85 0.00 0.00 0.00 179.25 179.64 1bj1 n GLU 89 N -4.11 0.29 0.00 0.00 0.00 -1.26 -1.86 120.64 113.70 1bj1 n GLU 89 Ca -0.02 0.10 0.13 0.00 0.00 0.00 0.00 57.16 57.37 1bj1 n GLU 89 Cb 0.40 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.60 1bj1 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bj1 n ASP 90 N -1.18 2.00 -4.71 -1.84 8.00 -0.88 -4.91 116.55 113.04 1bj1 n ASP 90 Ca 0.08 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.61 1bj1 n ASP 90 Cb 0.09 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1bj1 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bj1 s THR 91 N -2.19 2.81 0.00 -3.53 2.01 -0.78 -4.89 115.64 109.07 1bj1 s THR 91 Ca 0.28 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1bj1 s THR 91 Cb 0.20 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1bj1 s THR 91 CO 0.41 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.36 1bj1 n ALA 92 N 4.60 0.00 -2.66 7.40 0.00 -0.62 -4.51 120.51 124.71 1bj1 n ALA 92 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 1bj1 n ALA 92 Cb 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 1bj1 n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bj1 s VAL 93 N -2.00 5.22 -0.22 0.00 1.01 -1.05 -1.15 120.40 122.21 1bj1 s VAL 93 Ca 0.00 0.61 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1bj1 s VAL 93 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1bj1 s VAL 93 CO 0.00 0.25 0.10 -0.31 0.00 0.00 0.00 175.10 175.14 1bj1 s TYR 94 N 1.37 3.24 0.21 5.22 1.51 -0.19 -1.61 117.35 127.11 1bj1 s TYR 94 Ca 0.17 0.04 0.10 0.00 -1.01 0.00 0.00 57.07 56.37 1bj1 s TYR 94 Cb -0.15 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1bj1 s TYR 94 CO 0.08 0.02 -0.15 0.71 -1.11 0.00 0.00 175.55 175.10 1bj1 s TYR 95 N 0.88 2.48 0.08 2.71 2.02 0.42 -1.76 117.35 124.18 1bj1 s TYR 95 Ca 0.05 -0.28 0.09 0.00 -0.37 0.00 0.00 57.07 56.57 1bj1 s TYR 95 Cb -0.13 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.21 1bj1 s TYR 95 CO 0.03 0.56 -0.25 0.00 -1.57 0.00 0.00 175.55 174.32 1bj1 s ALA 97 N -0.93 -0.68 0.19 0.00 0.00 -0.64 -0.84 121.76 118.86 1bj1 s ALA 97 Ca 0.13 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 1bj1 s ALA 97 Cb -0.10 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1bj1 s ALA 97 CO 0.04 -0.15 0.45 -1.59 0.00 0.00 0.00 175.76 174.52 1bj1 s LYS 98 N 0.45 3.67 0.79 0.00 -2.85 0.08 -0.66 119.74 121.22 1bj1 s LYS 98 Ca -0.02 0.02 -0.11 0.00 -1.00 0.00 0.00 55.97 54.86 1bj1 s LYS 98 Cb -0.04 -2.76 0.07 0.00 -2.06 0.00 0.00 37.83 33.04 1bj1 s LYS 98 CO -0.02 0.38 1.09 0.71 0.10 0.00 0.00 175.35 177.61 1bj1 s TYR 99 N -1.77 2.55 0.49 1.78 2.02 -0.85 -1.97 117.35 119.60 1bj1 s TYR 99 Ca 0.43 1.51 0.03 0.00 -0.37 0.00 0.00 57.07 58.67 1bj1 s TYR 99 Cb -0.12 -3.06 0.02 0.00 -0.40 0.00 0.00 41.96 38.40 1bj1 s TYR 99 CO 0.24 -1.88 0.70 -1.25 -1.57 0.00 0.00 175.55 171.79 1bj1 s PRO 100 N -4.91 2.73 -0.15 -1.71 0.04 -1.26 -4.71 135.00 125.04 1bj1 s PRO 100 Ca 0.61 -0.82 -0.29 0.00 0.04 0.00 0.00 61.00 60.54 1bj1 s PRO 100 Cb -0.17 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 1bj1 s PRO 100 CO 0.56 -0.50 1.11 -1.58 0.04 0.00 0.00 177.00 176.64 1bj1 s HIS 101 N -2.61 3.25 0.61 0.56 2.46 -1.26 -5.03 115.29 113.27 1bj1 s HIS 101 Ca 0.54 1.35 0.02 0.00 0.47 0.00 0.00 55.06 57.44 1bj1 s HIS 101 Cb -0.10 -3.33 0.07 0.00 -0.13 0.00 0.00 32.58 29.09 1bj1 s HIS 101 CO 0.37 -0.86 0.84 1.52 -2.47 0.00 0.00 174.74 174.15 1bj1 s TYR 102 N 2.75 2.23 -0.28 3.88 1.13 -1.26 -5.10 117.35 120.69 1bj1 s TYR 102 Ca 0.50 -0.21 -0.04 0.00 -1.41 0.00 0.00 57.07 55.91 1bj1 s TYR 102 Cb -0.19 -2.76 0.10 0.00 -1.10 0.00 0.00 41.96 38.01 1bj1 s TYR 102 CO 0.14 -1.18 0.14 0.71 -2.51 0.00 0.00 175.55 172.85 1bj1 s TYR 103 N -2.87 0.25 0.00 -3.49 1.51 -1.26 -4.96 117.35 106.53 1bj1 s TYR 103 Ca 0.61 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1bj1 s TYR 103 Cb -0.08 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1bj1 s TYR 103 CO 0.40 -0.80 0.00 0.41 -1.11 0.00 0.00 175.55 174.45 1bj1 n GLY 104 N 5.26 2.14 3.44 0.71 0.00 -1.26 -4.90 105.19 110.59 1bj1 n GLY 104 Ca -0.06 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1bj1 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bj1 s SER 105 N -0.02 3.47 -0.05 1.61 1.04 -1.26 -5.14 113.70 113.35 1bj1 s SER 105 Ca 0.00 -0.96 -0.17 0.00 0.48 0.00 0.00 55.95 55.30 1bj1 s SER 105 Cb 0.00 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 1bj1 s SER 105 CO 0.00 0.07 0.48 -0.44 0.98 0.00 0.00 173.24 174.32 1bj1 s SER 106 N -3.12 6.79 -0.06 7.02 0.01 -1.26 -4.83 113.70 118.25 1bj1 s SER 106 Ca 0.25 0.94 -0.01 0.00 1.31 0.00 0.00 55.95 58.45 1bj1 s SER 106 Cb -0.06 -2.29 0.03 0.00 0.21 0.00 0.00 66.02 63.91 1bj1 s SER 106 CO 0.12 0.14 0.01 -1.00 0.41 0.00 0.00 173.24 172.92 1bj1 s HIS 107 N -0.18 0.53 -1.29 2.43 3.76 -1.26 -5.08 115.29 114.19 1bj1 s HIS 107 Ca 0.26 -0.08 -0.14 0.00 -0.15 0.00 0.00 55.06 54.95 1bj1 s HIS 107 Cb -0.16 -0.69 0.13 0.00 1.11 0.00 0.00 32.58 32.96 1bj1 s HIS 107 CO 0.13 -0.27 1.76 0.91 -0.85 0.00 0.00 174.74 176.41 1bj1 n TRP 108 N 4.97 4.13 -4.41 1.40 5.03 -1.26 -4.79 117.44 122.50 1bj1 n TRP 108 Ca -0.10 -3.03 -0.25 0.00 3.03 0.00 0.00 57.50 57.15 1bj1 n TRP 108 Cb 0.50 -2.29 -0.10 0.00 -1.03 0.00 0.00 31.31 28.39 1bj1 n TRP 108 CO 0.00 0.00 0.00 1.52 -0.03 0.00 0.00 177.69 179.18 1bj1 s TYR 109 N 2.13 2.37 -0.30 -5.99 -0.85 -1.26 -5.12 117.35 108.33 1bj1 s TYR 109 Ca 0.45 -0.32 -0.17 0.00 -0.52 0.00 0.00 57.07 56.51 1bj1 s TYR 109 Cb 0.05 -1.11 -0.02 0.00 0.38 0.00 0.00 41.96 41.26 1bj1 s TYR 109 CO 0.01 0.59 0.47 -0.06 -1.52 0.00 0.00 175.55 175.04 1bj1 s PHE 110 N -2.04 3.22 -0.23 -3.49 0.08 -1.26 -4.02 117.98 110.24 1bj1 s PHE 110 Ca 0.26 0.36 -0.07 0.00 0.12 0.00 0.00 56.93 57.59 1bj1 s PHE 110 Cb -0.07 -2.75 -0.18 0.00 -0.57 0.00 0.00 43.02 39.45 1bj1 s PHE 110 CO 0.13 -0.37 -0.08 -0.40 -0.10 0.00 0.00 175.22 174.40 1bj1 n ASP 111 N 5.55 1.99 -4.30 1.36 5.75 -0.83 -4.89 116.55 121.17 1bj1 n ASP 111 Ca -0.06 0.14 -0.33 0.00 -0.01 0.00 0.00 54.79 54.53 1bj1 n ASP 111 Cb 0.50 -0.69 -0.15 0.00 -1.03 0.00 0.00 41.12 39.75 1bj1 n ASP 111 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1bj1 s VAL 112 N -2.50 2.84 0.23 2.12 1.01 -1.25 -4.99 120.40 117.85 1bj1 s VAL 112 Ca -0.33 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.02 1bj1 s VAL 112 Cb 0.10 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1bj1 s VAL 112 CO 0.61 0.51 0.04 0.26 0.00 0.00 0.00 175.10 176.52 1bj1 s TRP 113 N 0.69 2.84 0.76 5.22 0.52 -1.26 -0.74 118.94 126.97 1bj1 s TRP 113 Ca -0.07 -0.16 -0.10 0.00 0.02 0.00 0.00 56.10 55.78 1bj1 s TRP 113 Cb -0.15 -1.31 0.17 0.00 -1.15 0.00 0.00 33.47 31.03 1bj1 s TRP 113 CO 0.02 0.56 1.03 0.41 0.02 0.00 0.00 176.95 179.00 1bj1 n GLY 114 N -0.65 -0.92 0.13 0.98 0.00 -0.02 -4.52 105.19 100.18 1bj1 n GLY 114 Ca -0.08 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.29 1bj1 n GLY 114 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1bj1 h GLN 115 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.45 115.11 111.35 1bj1 h GLN 115 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1bj1 h GLN 115 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.47 1bj1 h GLN 115 CO 0.26 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.50 1bj1 n GLY 116 N 0.93 -1.43 3.09 0.06 0.00 -1.26 -5.05 105.19 101.53 1bj1 n GLY 116 Ca 0.04 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 1bj1 n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bj1 s THR 117 N -2.64 1.22 -0.05 2.61 -4.23 -0.72 -4.92 115.64 106.91 1bj1 s THR 117 Ca 0.00 -0.60 -0.25 0.00 -1.18 0.00 0.00 61.69 59.66 1bj1 s THR 117 Cb 0.00 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 1bj1 s THR 117 CO 0.00 0.36 0.78 -0.22 -0.54 0.00 0.00 174.62 175.00 1bj1 s LEU 118 N 0.11 4.34 -0.17 4.79 0.20 -1.26 -1.02 118.68 125.67 1bj1 s LEU 118 Ca -0.04 1.32 0.00 0.00 0.69 0.00 0.00 54.13 56.11 1bj1 s LEU 118 Cb -0.11 -3.22 0.01 0.00 -0.43 0.00 0.00 46.19 42.44 1bj1 s LEU 118 CO 0.02 -0.15 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.07 1bj1 s VAL 119 N 0.83 2.43 -0.22 1.68 1.01 -0.30 -0.63 120.40 125.21 1bj1 s VAL 119 Ca 0.41 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1bj1 s VAL 119 Cb -0.19 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.21 1bj1 s VAL 119 CO 0.21 0.52 -0.13 0.28 0.00 0.00 0.00 175.10 175.98 1bj1 s THR 120 N 1.04 1.93 -0.51 3.92 -1.32 -0.76 -1.59 115.64 118.34 1bj1 s THR 120 Ca -0.01 -1.22 -0.22 0.00 -1.21 0.00 0.00 61.69 59.03 1bj1 s THR 120 Cb -0.14 -1.96 0.04 0.00 -1.51 0.00 0.00 72.50 68.93 1bj1 s THR 120 CO -0.05 0.18 0.78 -0.69 -2.21 0.00 0.00 174.62 172.63 1bj1 s VAL 121 N 1.26 4.64 -0.04 5.08 1.01 -1.26 -1.46 120.40 129.64 1bj1 s VAL 121 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 1bj1 s VAL 121 Cb -0.17 -4.40 0.05 0.00 0.00 0.00 0.00 36.38 31.86 1bj1 s VAL 121 CO -0.08 -0.91 0.49 -0.55 0.00 0.00 0.00 175.10 174.04 1bj1 s SER 122 N 2.64 -0.42 0.00 3.32 0.15 0.07 -4.56 113.70 114.89 1bj1 s SER 122 Ca 0.24 0.40 0.28 0.00 0.70 0.00 0.00 55.95 57.57 1bj1 s SER 122 Cb -0.15 0.44 1.03 0.00 -1.71 0.00 0.00 66.02 65.62 1bj1 s SER 122 CO 0.17 -0.52 1.73 -1.54 1.20 0.00 0.00 173.24 174.28 1bj1 n SER 123 N 1.15 1.13 -4.80 5.45 3.41 -1.26 -3.93 113.62 114.76 1bj1 n SER 123 Ca -0.20 -1.16 -0.33 0.00 -0.26 0.00 0.00 58.87 56.92 1bj1 n SER 123 Cb 0.56 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1bj1 n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bj1 s ALA 124 N -2.22 2.75 0.48 7.33 0.00 -1.26 -5.04 121.76 123.81 1bj1 s ALA 124 Ca 0.33 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 1bj1 s ALA 124 Cb 0.20 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1bj1 s ALA 124 CO 0.41 -0.79 0.79 -1.12 0.00 0.00 0.00 175.76 175.05 1bj1 s SER 125 N -2.78 6.24 0.60 0.00 0.01 -1.26 -5.04 113.70 111.47 1bj1 s SER 125 Ca 0.64 0.91 -0.16 0.00 1.31 0.00 0.00 55.95 58.65 1bj1 s SER 125 Cb -0.16 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1bj1 s SER 125 CO 0.36 -0.59 1.06 -0.89 0.41 0.00 0.00 173.24 173.59 1bj1 s THR 126 N -2.75 3.82 -0.24 1.44 2.01 -1.26 -4.75 115.64 113.90 1bj1 s THR 126 Ca 0.48 0.85 -0.12 0.00 0.31 0.00 0.00 61.69 63.21 1bj1 s THR 126 Cb -0.10 -3.38 0.08 0.00 0.01 0.00 0.00 72.50 69.11 1bj1 s THR 126 CO 0.45 -0.52 0.57 -0.75 -0.69 0.00 0.00 174.62 173.68 1bj1 s LYS 127 N -4.10 0.55 0.66 4.92 2.20 -0.46 -4.92 119.74 118.59 1bj1 s LYS 127 Ca 0.63 1.12 -0.12 0.00 -0.36 0.00 0.00 55.97 57.24 1bj1 s LYS 127 Cb -0.16 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.38 1bj1 s LYS 127 CO 0.37 -0.17 1.05 0.20 -0.36 0.00 0.00 175.35 176.44 1bj1 s GLY 128 N 1.89 1.74 0.26 5.54 0.00 -1.26 -1.67 107.32 113.82 1bj1 s GLY 128 Ca -0.08 0.10 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 1bj1 s GLY 128 CO -0.17 0.40 0.57 2.56 0.00 0.00 0.00 173.10 176.46 1bj1 s PRO 129 N -4.90 3.75 -0.26 2.90 0.04 -1.07 -4.26 135.00 131.20 1bj1 s PRO 129 Ca 0.58 0.21 -0.06 0.00 0.04 0.00 0.00 61.00 61.77 1bj1 s PRO 129 Cb -0.14 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1bj1 s PRO 129 CO 0.51 0.26 0.04 -1.12 0.04 0.00 0.00 177.00 176.73 1bj1 s SER 130 N -2.67 4.88 -0.14 6.66 0.01 0.79 -4.93 113.70 118.30 1bj1 s SER 130 Ca 0.47 -0.50 -0.21 0.00 1.31 0.00 0.00 55.95 57.02 1bj1 s SER 130 Cb -0.11 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 1bj1 s SER 130 CO 0.25 -0.10 0.62 -0.69 0.41 0.00 0.00 173.24 173.72 1bj1 s VAL 131 N 1.52 5.07 -0.16 3.43 1.01 -1.26 -1.99 120.40 128.02 1bj1 s VAL 131 Ca 0.04 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1bj1 s VAL 131 Cb -0.16 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1bj1 s VAL 131 CO 0.01 0.21 -0.12 -0.36 0.00 0.00 0.00 175.10 174.83 1bj1 s PHE 132 N 1.25 2.18 0.72 5.22 0.08 0.41 -4.94 117.98 122.91 1bj1 s PHE 132 Ca 0.31 -1.28 -0.16 0.00 0.12 0.00 0.00 56.93 55.92 1bj1 s PHE 132 Cb -0.16 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1bj1 s PHE 132 CO 0.13 -0.68 1.25 -1.25 -0.10 0.00 0.00 175.22 174.57 1bj1 s PRO 133 N 1.48 2.11 -0.73 0.24 0.04 -1.26 0.35 135.00 137.23 1bj1 s PRO 133 Ca 0.03 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.01 1bj1 s PRO 133 Cb -0.14 -1.81 0.20 0.00 0.04 0.00 0.00 34.50 32.79 1bj1 s PRO 133 CO -0.10 -1.89 0.63 1.28 0.04 0.00 0.00 177.00 176.96 1bj1 n LEU 134 N -2.59 3.49 -4.69 -3.56 4.77 0.79 -4.74 117.00 110.47 1bj1 n LEU 134 Ca 0.15 -5.27 -0.44 0.00 -0.03 0.00 0.00 56.01 50.41 1bj1 n LEU 134 Cb 0.49 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1bj1 n LEU 134 CO 0.47 1.81 1.15 0.00 -1.33 0.00 0.00 177.39 179.50 1bj1 n ALA 135 N 1.67 1.59 -0.97 -1.18 0.00 -1.26 -1.61 120.51 118.75 1bj1 n ALA 135 Ca 0.23 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 54.08 1bj1 n ALA 135 Cb 0.37 -2.35 0.02 0.00 0.00 0.00 0.00 19.45 17.48 1bj1 n ALA 135 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bj1 n PRO 136 N 2.75 -1.87 -2.02 0.00 -0.04 -1.26 -4.95 135.00 127.62 1bj1 n PRO 136 Ca 0.14 -0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1bj1 n PRO 136 Cb 0.32 -0.12 -0.01 0.00 -0.04 0.00 0.00 33.50 33.65 1bj1 n PRO 136 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1bj1 n SER 137 N -3.16 -5.89 0.00 3.54 7.64 -1.26 -4.78 113.62 109.70 1bj1 n SER 137 Ca 0.01 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1bj1 n SER 137 Cb 0.04 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 1bj1 n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bj1 n GLY 144 N 1.27 2.82 2.94 0.23 0.00 -1.26 -5.12 105.19 106.06 1bj1 n GLY 144 Ca -0.07 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1bj1 n GLY 144 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bj1 s THR 145 N 0.00 0.74 -0.05 2.61 2.01 -1.26 -2.20 115.64 117.49 1bj1 s THR 145 Ca 0.00 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1bj1 s THR 145 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1bj1 s THR 145 CO 0.00 0.27 0.04 0.00 -0.69 0.00 0.00 174.62 174.24 1bj1 s ALA 146 N 0.84 3.42 -0.05 7.40 0.00 0.43 -4.87 121.76 128.94 1bj1 s ALA 146 Ca -0.12 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1bj1 s ALA 146 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1bj1 s ALA 146 CO 0.01 0.63 0.04 0.00 0.00 0.00 0.00 175.76 176.44 1bj1 s ALA 147 N -1.02 3.42 0.31 0.00 0.00 -1.26 -0.74 121.76 122.48 1bj1 s ALA 147 Ca 0.17 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.34 1bj1 s ALA 147 Cb -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1bj1 s ALA 147 CO 0.07 0.63 0.30 -0.48 0.00 0.00 0.00 175.76 176.27 1bj1 s LEU 148 N -1.23 1.48 0.00 0.00 2.34 -1.03 -4.04 118.68 116.20 1bj1 s LEU 148 Ca 0.17 -1.63 0.00 0.00 0.06 0.00 0.00 54.13 52.73 1bj1 s LEU 148 Cb -0.12 0.72 0.00 0.00 -0.56 0.00 0.00 46.19 46.24 1bj1 s LEU 148 CO 0.07 -1.07 0.00 0.61 -1.06 0.00 0.00 176.35 174.90 1bj1 n GLY 149 N -0.55 -0.95 3.15 -3.48 0.00 -0.63 -2.44 105.19 100.30 1bj1 n GLY 149 Ca 0.05 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1bj1 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj1 s LEU 151 N -0.87 3.40 -0.79 0.00 2.96 0.15 -1.92 118.68 121.62 1bj1 s LEU 151 Ca -0.10 -1.14 -0.13 0.00 -0.22 0.00 0.00 54.13 52.54 1bj1 s LEU 151 Cb -0.05 -1.63 0.21 0.00 0.50 0.00 0.00 46.19 45.22 1bj1 s LEU 151 CO 0.02 -0.18 0.71 -0.69 -1.32 0.00 0.00 176.35 174.90 1bj1 s VAL 152 N 1.23 5.37 0.14 1.68 1.01 -1.00 -0.44 120.40 128.39 1bj1 s VAL 152 Ca -0.04 -2.48 0.04 0.00 0.00 0.00 0.00 61.98 59.50 1bj1 s VAL 152 Cb -0.18 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1bj1 s VAL 152 CO -0.04 -1.00 0.17 -0.54 0.00 0.00 0.00 175.10 173.69 1bj1 s LYS 153 N 0.21 3.07 -0.22 2.72 1.02 -0.84 -2.47 119.74 123.23 1bj1 s LYS 153 Ca 0.17 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.40 1bj1 s LYS 153 Cb -0.12 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1bj1 s LYS 153 CO -0.08 0.51 0.04 -0.25 -0.92 0.00 0.00 175.35 174.66 1bj1 n ASP 154 N -0.25 -6.10 -3.52 2.83 8.00 -1.16 -0.15 116.55 116.20 1bj1 n ASP 154 Ca -0.08 0.92 -0.18 0.00 0.71 0.00 0.00 54.79 56.16 1bj1 n ASP 154 Cb 0.54 -3.96 -0.06 0.00 -0.02 0.00 0.00 41.12 37.62 1bj1 n ASP 154 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1bj1 s TYR 155 N -1.21 -0.65 -0.25 1.24 -0.85 -1.19 -2.59 117.35 111.85 1bj1 s TYR 155 Ca 0.02 1.09 -0.20 0.00 -0.52 0.00 0.00 57.07 57.47 1bj1 s TYR 155 Cb -0.01 0.42 0.07 0.00 0.38 0.00 0.00 41.96 42.82 1bj1 s TYR 155 CO 0.53 -0.61 0.65 0.12 -1.52 0.00 0.00 175.55 174.73 1bj1 s PHE 156 N -1.27 -0.84 0.00 -3.49 2.19 -0.67 -2.35 117.98 111.55 1bj1 s PHE 156 Ca -0.10 1.87 0.00 0.00 0.33 0.00 0.00 56.93 59.03 1bj1 s PHE 156 Cb -0.00 0.39 0.00 0.00 -1.31 0.00 0.00 43.02 42.10 1bj1 s PHE 156 CO 0.09 -0.41 0.00 -0.35 1.83 0.00 0.00 175.22 176.38 1bj1 n PRO 157 N 3.40 3.54 -3.18 10.12 -0.04 -1.26 -1.35 135.00 146.23 1bj1 n PRO 157 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 1bj1 n PRO 157 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1bj1 n PRO 157 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1bj1 s GLU 158 N 2.61 3.35 0.00 0.54 2.02 -1.26 -4.85 118.70 121.12 1bj1 s GLU 158 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.65 1bj1 s GLU 158 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1bj1 s GLU 158 CO 0.00 -0.02 0.00 -0.35 0.02 0.00 0.00 175.26 174.91 1bj1 n PRO 159 N -1.92 3.55 -3.79 0.39 -0.04 -1.26 -4.95 135.00 126.98 1bj1 n PRO 159 Ca -0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 1bj1 n PRO 159 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 1bj1 n PRO 159 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bj1 s VAL 160 N 1.63 0.08 -0.08 0.52 0.11 -1.26 -4.45 120.40 116.95 1bj1 s VAL 160 Ca 0.00 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.39 1bj1 s VAL 160 Cb 0.00 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1bj1 s VAL 160 CO 0.00 -0.38 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.30 1bj1 s THR 161 N -2.23 2.53 -0.09 5.04 2.01 0.70 -4.90 115.64 118.70 1bj1 s THR 161 Ca -0.07 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1bj1 s THR 161 Cb -0.02 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.53 1bj1 s THR 161 CO -0.02 0.56 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.71 1bj1 s VAL 162 N -0.11 0.92 0.41 3.82 1.01 -1.26 0.95 120.40 126.14 1bj1 s VAL 162 Ca -0.04 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1bj1 s VAL 162 Cb -0.14 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1bj1 s VAL 162 CO 0.04 0.34 0.05 -0.94 0.00 0.00 0.00 175.10 174.58 1bj1 s SER 163 N 1.43 3.25 -0.06 3.32 1.04 -0.35 -4.94 113.70 117.39 1bj1 s SER 163 Ca -0.01 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1bj1 s SER 163 Cb -0.13 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.11 1bj1 s SER 163 CO -0.04 -0.69 -0.04 0.26 0.98 0.00 0.00 173.24 173.70 1bj1 s TRP 164 N -3.03 0.84 -1.32 5.02 0.52 -1.26 -0.40 118.94 119.31 1bj1 s TRP 164 Ca 0.26 -0.27 -0.03 0.00 0.02 0.00 0.00 56.10 56.09 1bj1 s TRP 164 Cb 0.06 -0.77 0.01 0.00 -1.15 0.00 0.00 33.47 31.62 1bj1 s TRP 164 CO 0.13 -0.26 0.84 0.09 0.02 0.00 0.00 176.95 177.77 1bj1 n ASN 165 N 4.35 -2.22 0.00 2.95 3.02 0.64 -1.75 115.26 122.25 1bj1 n ASN 165 Ca -0.20 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1bj1 n ASN 165 Cb 0.51 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 1bj1 n ASN 165 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1bj1 n SER 166 N -3.04 -4.44 0.00 6.41 7.64 -1.26 -1.44 113.62 117.49 1bj1 n SER 166 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1bj1 n SER 166 Cb 0.65 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 1bj1 n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bj1 n GLY 167 N -0.18 0.84 0.16 0.23 0.00 -0.72 -4.98 105.19 100.55 1bj1 n GLY 167 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1bj1 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj1 h ALA 168 N 0.00 0.96 -3.24 4.61 0.00 -1.16 -3.40 119.26 117.03 1bj1 h ALA 168 Ca 0.00 -0.45 -0.69 0.00 0.00 0.00 0.00 54.91 53.77 1bj1 h ALA 168 Cb 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 17.38 1bj1 h ALA 168 CO 0.00 0.61 -0.60 -1.17 0.00 0.00 0.00 179.25 178.09 1bj1 s LEU 169 N -7.25 4.69 -0.00 0.00 2.96 -0.85 -4.85 118.68 113.38 1bj1 s LEU 169 Ca -0.00 -1.65 0.02 0.00 -0.22 0.00 0.00 54.13 52.28 1bj1 s LEU 169 Cb 0.11 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1bj1 s LEU 169 CO 0.72 -0.42 0.07 0.35 -1.32 0.00 0.00 176.35 175.74 1bj1 n THR 170 N 4.65 0.00 -2.99 3.68 -2.24 -1.26 -4.05 114.28 112.06 1bj1 n THR 170 Ca -0.07 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.91 1bj1 n THR 170 Cb 0.42 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.53 1bj1 n THR 170 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bj1 s SER 171 N -1.30 7.26 0.00 3.42 0.01 -1.26 -3.84 113.70 117.98 1bj1 s SER 171 Ca 0.00 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1bj1 s SER 171 Cb 0.01 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1bj1 s SER 171 CO 0.07 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1bj1 n GLY 172 N 2.15 2.29 3.72 3.44 0.00 -1.26 -4.53 105.19 111.00 1bj1 n GLY 172 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1bj1 n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bj1 s VAL 173 N -3.04 3.74 -0.44 1.61 1.01 -1.25 -2.19 120.40 119.84 1bj1 s VAL 173 Ca 0.00 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.31 1bj1 s VAL 173 Cb 0.00 -3.84 0.14 0.00 0.00 0.00 0.00 36.38 32.68 1bj1 s VAL 173 CO 0.00 0.13 0.24 -1.00 0.00 0.00 0.00 175.10 174.47 1bj1 s HIS 174 N 0.73 2.02 -0.13 5.22 3.76 0.19 -4.91 115.29 122.17 1bj1 s HIS 174 Ca 0.58 -2.45 -0.24 0.00 -0.15 0.00 0.00 55.06 52.80 1bj1 s HIS 174 Cb -0.32 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.42 1bj1 s HIS 174 CO 0.32 -0.78 0.77 0.99 -0.85 0.00 0.00 174.74 175.18 1bj1 s THR 175 N 0.33 4.96 0.18 1.30 2.01 -1.26 -1.17 115.64 121.99 1bj1 s THR 175 Ca 0.18 1.53 -0.08 0.00 0.31 0.00 0.00 61.69 63.62 1bj1 s THR 175 Cb -0.24 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 1bj1 s THR 175 CO 0.00 0.12 0.47 -0.36 -0.69 0.00 0.00 174.62 174.16 1bj1 s PHE 176 N 1.61 3.47 0.34 4.92 0.08 0.97 -4.99 117.98 124.38 1bj1 s PHE 176 Ca 0.37 0.76 -0.29 0.00 0.12 0.00 0.00 56.93 57.89 1bj1 s PHE 176 Cb -0.17 -2.16 -0.12 0.00 -0.57 0.00 0.00 43.02 40.00 1bj1 s PHE 176 CO 0.15 0.37 1.47 -2.30 -0.10 0.00 0.00 175.22 174.80 1bj1 n PRO 177 N 0.11 2.53 -2.07 0.24 -0.02 -1.26 -4.29 135.00 130.25 1bj1 n PRO 177 Ca -0.02 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1bj1 n PRO 177 Cb 0.52 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1bj1 n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bj1 s ALA 178 N -0.77 3.66 -0.21 3.55 0.00 -1.26 -4.76 121.76 121.97 1bj1 s ALA 178 Ca 0.57 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.68 1bj1 s ALA 178 Cb -0.51 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 1bj1 s ALA 178 CO 0.59 -0.68 0.09 0.54 0.00 0.00 0.00 175.76 176.29 1bj1 s VAL 179 N 0.95 4.82 -0.59 0.00 0.11 -0.79 -4.87 120.40 120.02 1bj1 s VAL 179 Ca 0.66 -0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 59.42 1bj1 s VAL 179 Cb -0.40 -3.20 -0.02 0.00 -1.53 0.00 0.00 36.38 31.23 1bj1 s VAL 179 CO 0.32 0.41 1.81 -0.22 -3.33 0.00 0.00 175.10 174.09 1bj1 s LEU 180 N 0.79 3.31 0.92 2.54 1.98 -1.26 -3.00 118.68 123.95 1bj1 s LEU 180 Ca 0.04 0.37 -0.10 0.00 -2.89 0.00 0.00 54.13 51.56 1bj1 s LEU 180 Cb -0.13 -2.63 0.14 0.00 0.66 0.00 0.00 46.19 44.22 1bj1 s LEU 180 CO 0.02 -2.27 1.08 0.00 -1.89 0.00 0.00 176.35 173.29 1bj1 n GLN 181 N 9.11 -0.44 -0.13 1.98 6.02 0.54 -4.89 117.38 129.57 1bj1 n GLN 181 Ca 0.19 -0.06 0.13 0.00 -0.01 0.00 0.00 57.00 57.26 1bj1 n GLN 181 Cb 0.51 -2.33 0.49 0.00 1.02 0.00 0.00 30.24 29.93 1bj1 n GLN 181 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1bj1 h SER 182 N -1.85 0.39 0.00 1.08 4.64 -1.93 -1.17 113.55 114.71 1bj1 h SER 182 Ca -0.43 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1bj1 h SER 182 Cb 1.27 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1bj1 h SER 182 CO 0.41 0.22 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1bj1 n SER 183 N -4.47 0.56 -0.99 4.97 3.41 -1.26 -4.81 113.62 111.03 1bj1 n SER 183 Ca 0.12 -1.62 -0.13 0.00 -0.26 0.00 0.00 58.87 56.98 1bj1 n SER 183 Cb 0.44 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1bj1 n SER 183 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bj1 n GLY 184 N 0.16 1.34 3.71 5.00 0.00 -0.44 -4.98 105.19 109.97 1bj1 n GLY 184 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1bj1 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bj1 s LEU 185 N -2.94 3.04 0.31 0.99 1.43 -1.24 -4.92 118.68 115.36 1bj1 s LEU 185 Ca 0.00 -1.17 0.10 0.00 -1.03 0.00 0.00 54.13 52.04 1bj1 s LEU 185 Cb 0.00 -1.28 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 1bj1 s LEU 185 CO 0.00 -0.53 -0.14 -0.31 0.23 0.00 0.00 176.35 175.60 1bj1 s TYR 186 N -2.63 2.31 -0.17 0.29 2.02 -0.99 0.20 117.35 118.37 1bj1 s TYR 186 Ca 0.39 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 1bj1 s TYR 186 Cb 0.05 -1.17 0.13 0.00 -0.40 0.00 0.00 41.96 40.57 1bj1 s TYR 186 CO 0.21 0.63 1.00 0.45 -1.57 0.00 0.00 175.55 176.26 1bj1 s SER 187 N -3.55 -0.38 0.18 2.29 0.15 -1.16 -2.97 113.70 108.26 1bj1 s SER 187 Ca 0.31 0.45 0.02 0.00 0.70 0.00 0.00 55.95 57.43 1bj1 s SER 187 Cb -0.01 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.66 1bj1 s SER 187 CO 0.15 -0.33 0.20 0.00 1.20 0.00 0.00 173.24 174.47 1bj1 n LEU 188 N 0.89 0.00 -3.92 3.45 -0.00 -1.03 -1.89 117.00 114.50 1bj1 n LEU 188 Ca -0.11 -1.59 -0.13 0.00 -0.00 0.00 0.00 56.01 54.19 1bj1 n LEU 188 Cb 0.58 1.11 -0.14 0.00 -0.00 0.00 0.00 43.42 44.97 1bj1 n LEU 188 CO 0.15 -0.31 -0.37 -0.44 -0.00 0.00 0.00 177.39 176.41 1bj1 s SER 189 N -2.19 0.26 -0.30 1.45 0.01 -1.26 -2.37 113.70 109.30 1bj1 s SER 189 Ca 0.18 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1bj1 s SER 189 Cb 0.00 -0.00 0.09 0.00 0.21 0.00 0.00 66.02 66.31 1bj1 s SER 189 CO 0.13 -0.04 0.02 -0.55 0.41 0.00 0.00 173.24 173.21 1bj1 s SER 190 N -0.34 4.34 0.38 2.44 0.15 -0.81 -0.02 113.70 119.84 1bj1 s SER 190 Ca -0.02 -1.71 0.03 0.00 0.70 0.00 0.00 55.95 54.95 1bj1 s SER 190 Cb -0.03 -1.34 -0.01 0.00 -1.71 0.00 0.00 66.02 62.93 1bj1 s SER 190 CO -0.00 -0.33 0.55 -0.69 1.20 0.00 0.00 173.24 173.97 1bj1 s VAL 191 N 1.20 4.23 -0.29 4.45 1.01 -0.31 -2.02 120.40 128.67 1bj1 s VAL 191 Ca 0.04 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 1bj1 s VAL 191 Cb -0.19 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.79 1bj1 s VAL 191 CO -0.11 -0.28 0.81 0.54 0.00 0.00 0.00 175.10 176.07 1bj1 s VAL 192 N -2.33 -0.16 -0.23 2.92 0.11 -1.02 0.55 120.40 120.23 1bj1 s VAL 192 Ca 0.45 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.43 1bj1 s VAL 192 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1bj1 s VAL 192 CO 0.34 0.00 0.06 0.42 -3.33 0.00 0.00 175.10 172.59 1bj1 s THR 193 N 1.75 4.29 0.43 5.04 -4.23 -0.93 -2.47 115.64 119.53 1bj1 s THR 193 Ca -0.09 -0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 1bj1 s THR 193 Cb -0.05 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1bj1 s THR 193 CO -0.18 0.37 0.05 0.68 -0.54 0.00 0.00 174.62 174.99 1bj1 s VAL 194 N 1.39 1.19 0.80 2.29 -7.23 0.08 -4.58 120.40 114.35 1bj1 s VAL 194 Ca 0.05 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 1bj1 s VAL 194 Cb -0.15 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.38 1bj1 s VAL 194 CO 0.03 0.00 1.09 -2.84 -0.31 0.00 0.00 175.10 173.07 1bj1 s PRO 195 N -3.80 2.02 0.32 4.82 0.02 -1.26 0.16 135.00 137.28 1bj1 s PRO 195 Ca 0.21 0.98 0.13 0.00 0.02 0.00 0.00 61.00 62.34 1bj1 s PRO 195 Cb 0.05 -1.88 0.54 0.00 0.02 0.00 0.00 34.50 33.22 1bj1 s PRO 195 CO 0.11 -1.76 1.70 0.77 -0.33 0.00 0.00 177.00 177.50 1bj1 h SER 196 N -1.20 0.00 0.83 2.53 0.02 -1.78 -3.36 113.55 110.59 1bj1 h SER 196 Ca -0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1bj1 h SER 196 Cb 1.25 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.80 1bj1 h SER 196 CO 0.54 0.50 -0.40 0.28 -1.14 0.00 0.00 176.83 176.61 1bj1 h SER 197 N 0.00 -0.95 0.05 3.07 0.02 -1.93 -3.27 113.55 110.54 1bj1 h SER 197 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1bj1 h SER 197 Cb 0.92 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1bj1 h SER 197 CO 0.06 -0.60 0.00 -1.54 -1.14 0.00 0.00 176.83 173.61 1bj1 n SER 198 N -5.53 0.00 0.29 3.07 3.41 -1.26 -3.36 113.62 110.24 1bj1 n SER 198 Ca -0.14 0.17 0.19 0.00 -0.26 0.00 0.00 58.87 58.83 1bj1 n SER 198 Cb 0.45 -0.22 1.01 0.00 -0.26 0.00 0.00 64.21 65.18 1bj1 n SER 198 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1bj1 h LEU 199 N 0.00 0.00 0.00 1.04 3.38 -1.74 0.26 115.31 118.24 1bj1 h LEU 199 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bj1 h LEU 199 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1bj1 h LEU 199 CO 0.00 0.00 -0.90 0.61 0.09 0.00 0.00 178.44 178.24 1bj1 n GLY 200 N -0.97 -0.55 0.00 0.83 0.00 -1.21 -4.66 105.19 98.62 1bj1 n GLY 200 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1bj1 n GLY 200 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bj1 n THR 201 N -1.48 0.00 -2.98 2.61 -2.24 -1.07 -5.03 114.28 104.10 1bj1 n THR 201 Ca 0.02 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.40 1bj1 n THR 201 Cb 0.28 -0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 1bj1 n THR 201 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bj1 s GLN 202 N -1.99 4.46 -0.06 -0.78 2.00 0.88 -5.05 119.66 119.12 1bj1 s GLN 202 Ca 0.00 0.98 -0.18 0.00 -2.00 0.00 0.00 55.36 54.16 1bj1 s GLN 202 Cb 0.00 -3.45 -0.05 0.00 0.80 0.00 0.00 33.01 30.31 1bj1 s GLN 202 CO 0.00 0.03 0.51 0.99 -0.50 0.00 0.00 175.29 176.32 1bj1 s THR 203 N 0.88 5.07 -0.19 -0.34 2.01 -1.26 -4.72 115.64 117.08 1bj1 s THR 203 Ca 0.40 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.44 1bj1 s THR 203 Cb -0.18 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1bj1 s THR 203 CO 0.20 0.40 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.05 1bj1 s TYR 204 N 0.09 2.84 0.00 4.92 2.02 -1.26 -4.99 117.35 120.99 1bj1 s TYR 204 Ca 0.27 -1.55 0.06 0.00 -0.37 0.00 0.00 57.07 55.48 1bj1 s TYR 204 Cb -0.16 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1bj1 s TYR 204 CO 0.13 -0.76 -0.17 0.42 -1.57 0.00 0.00 175.55 173.60 1bj1 s ILE 205 N 1.32 2.85 -0.25 2.71 -1.09 -1.26 -1.00 121.20 124.48 1bj1 s ILE 205 Ca 0.04 -1.00 -0.00 0.00 -2.23 0.00 0.00 60.65 57.47 1bj1 s ILE 205 Cb -0.14 -2.15 0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1bj1 s ILE 205 CO -0.11 0.45 -0.09 0.00 -1.23 0.00 0.00 174.94 173.97 1bj1 s ASN 207 N 1.25 6.48 0.63 0.00 0.02 0.46 -1.58 114.94 122.20 1bj1 s ASN 207 Ca -0.02 -2.11 -0.11 0.00 -1.02 0.00 0.00 52.86 49.60 1bj1 s ASN 207 Cb -0.17 -2.26 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 1bj1 s ASN 207 CO -0.06 -0.83 1.03 -0.69 0.02 0.00 0.00 177.10 176.58 1bj1 s VAL 208 N 1.41 4.61 -0.34 1.60 1.01 -0.03 -1.21 120.40 127.44 1bj1 s VAL 208 Ca 0.15 0.84 0.04 0.00 0.00 0.00 0.00 61.98 63.01 1bj1 s VAL 208 Cb -0.17 -3.84 0.19 0.00 0.00 0.00 0.00 36.38 32.56 1bj1 s VAL 208 CO -0.03 -1.11 0.70 0.21 0.00 0.00 0.00 175.10 174.87 1bj1 s ASN 209 N -4.19 -1.35 -0.81 3.32 3.04 0.27 -3.38 114.94 111.83 1bj1 s ASN 209 Ca 0.55 -0.26 -0.15 0.00 0.04 0.00 0.00 52.86 53.04 1bj1 s ASN 209 Cb -0.11 1.78 0.19 0.00 -1.54 0.00 0.00 41.25 41.57 1bj1 s ASN 209 CO 0.54 -0.20 0.80 -2.28 -3.04 0.00 0.00 177.10 172.91 1bj1 s HIS 210 N 2.35 3.59 0.23 0.43 5.65 -0.71 -0.21 115.29 126.63 1bj1 s HIS 210 Ca 0.15 -1.80 -0.06 0.00 0.25 0.00 0.00 55.06 53.59 1bj1 s HIS 210 Cb -0.05 -3.89 0.33 0.00 -1.18 0.00 0.00 32.58 27.78 1bj1 s HIS 210 CO -0.17 -1.08 1.82 0.87 -0.65 0.00 0.00 174.74 175.53 1bj1 h LYS 211 N 8.09 0.78 -0.75 2.88 1.57 -1.78 -0.71 116.57 126.65 1bj1 h LYS 211 Ca 0.06 -0.05 0.18 0.00 -1.87 0.00 0.00 60.65 58.98 1bj1 h LYS 211 Cb 1.05 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1bj1 h LYS 211 CO 0.84 0.52 0.52 -1.35 -0.57 0.00 0.00 179.45 179.41 1bj1 h PRO 212 N 0.80 0.21 -0.14 3.15 0.11 -1.92 -1.49 132.00 132.73 1bj1 h PRO 212 Ca 0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1bj1 h PRO 212 Cb 0.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1bj1 h PRO 212 CO -0.21 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 176.59 1bj1 n SER 213 N -4.42 2.59 -2.50 -2.05 3.41 -1.15 -4.97 113.62 104.54 1bj1 n SER 213 Ca 0.15 -2.34 -0.15 0.00 -0.26 0.00 0.00 58.87 56.27 1bj1 n SER 213 Cb 0.67 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1bj1 n SER 213 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bj1 n ASN 214 N -0.38 -4.41 -4.78 4.04 4.13 -0.56 -4.94 115.26 108.36 1bj1 n ASN 214 Ca 0.09 0.11 -0.37 0.00 1.68 0.00 0.00 54.58 56.09 1bj1 n ASN 214 Cb 0.46 -3.71 -0.05 0.00 -1.54 0.00 0.00 39.78 34.93 1bj1 n ASN 214 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1bj1 s THR 215 N -2.74 4.01 -0.41 3.41 2.01 -0.35 -4.95 115.64 116.61 1bj1 s THR 215 Ca 0.03 1.59 0.05 0.00 0.31 0.00 0.00 61.69 63.67 1bj1 s THR 215 Cb -0.01 -3.85 0.17 0.00 0.01 0.00 0.00 72.50 68.81 1bj1 s THR 215 CO 0.04 0.06 0.49 -0.75 -0.69 0.00 0.00 174.62 173.77 1bj1 s LYS 216 N -2.29 0.79 -0.34 4.92 2.20 -1.26 -1.74 119.74 122.02 1bj1 s LYS 216 Ca 0.54 -0.93 -0.14 0.00 -0.36 0.00 0.00 55.97 55.08 1bj1 s LYS 216 Cb -0.20 -0.52 -0.02 0.00 -1.51 0.00 0.00 37.83 35.59 1bj1 s LYS 216 CO 0.25 -1.24 0.29 0.08 -0.36 0.00 0.00 175.35 174.37 1bj1 s VAL 217 N 1.25 5.24 -0.44 4.02 1.01 -1.22 -4.94 120.40 125.32 1bj1 s VAL 217 Ca 0.21 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.00 1bj1 s VAL 217 Cb -0.08 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1bj1 s VAL 217 CO -0.06 -0.03 0.30 -1.81 0.00 0.00 0.00 175.10 173.50 1bj1 s ASP 218 N 1.73 5.76 0.05 3.32 1.11 -1.26 -0.85 116.67 126.52 1bj1 s ASP 218 Ca 0.09 -1.51 0.00 0.00 0.18 0.00 0.00 52.55 51.30 1bj1 s ASP 218 Cb -0.17 -2.03 -0.04 0.00 1.07 0.00 0.00 42.92 41.75 1bj1 s ASP 218 CO 0.11 -0.58 0.16 -0.75 1.18 0.00 0.00 175.17 175.29 1bj1 s LYS 219 N 1.47 3.26 -0.24 8.23 2.47 -0.61 -4.93 119.74 129.39 1bj1 s LYS 219 Ca 0.03 -0.49 -0.07 0.00 -1.56 0.00 0.00 55.97 53.89 1bj1 s LYS 219 Cb -0.24 -2.95 -0.03 0.00 -1.46 0.00 0.00 37.83 33.15 1bj1 s LYS 219 CO 0.03 0.61 0.05 0.21 0.16 0.00 0.00 175.35 176.41 1bj1 s LYS 220 N -2.32 3.65 -0.26 4.03 2.20 -1.26 -0.71 119.74 125.07 1bj1 s LYS 220 Ca 0.31 -0.49 -0.09 0.00 -0.36 0.00 0.00 55.97 55.35 1bj1 s LYS 220 Cb -0.13 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1bj1 s LYS 220 CO 0.24 -0.13 0.13 0.08 -0.36 0.00 0.00 175.35 175.30 1bj1 s VAL 221 N 1.44 4.81 -0.03 4.02 1.01 -0.17 -4.94 120.40 126.54 1bj1 s VAL 221 Ca 0.05 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1bj1 s VAL 221 Cb -0.15 -3.27 0.07 0.00 0.00 0.00 0.00 36.38 33.03 1bj1 s VAL 221 CO 0.03 0.30 0.64 -1.83 0.00 0.00 0.00 175.10 174.24 1bj1 s GLU 222 N 1.65 1.05 0.17 2.72 -1.05 -1.26 -4.06 118.70 117.91 1bj1 s GLU 222 Ca 0.07 0.16 -0.33 0.00 -0.15 0.00 0.00 54.97 54.71 1bj1 s GLU 222 Cb -0.15 0.49 -0.15 0.00 -0.44 0.00 0.00 34.13 33.88 1bj1 s GLU 222 CO 0.07 -0.34 1.32 -0.35 0.95 0.00 0.00 175.26 176.91 1bj1 n PRO 223 N 0.81 1.51 0.00 -4.83 -0.04 -1.26 -4.72 135.00 126.48 1bj1 n PRO 223 Ca -0.19 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1bj1 n PRO 223 Cb 0.58 -2.15 0.66 0.00 -0.04 0.00 0.00 33.50 32.55 1bj1 n PRO 223 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63