#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjm n VAL 3 N 0.00 0.00 -1.65 0.44 0.24 -1.26 -5.08 118.33 111.01 1bjm n VAL 3 Ca 0.00 -0.39 -0.47 0.00 -2.04 0.00 0.00 64.34 61.44 1bjm n VAL 3 Cb 0.00 0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 1bjm n VAL 3 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1bjm n LEU 4 N 0.00 2.79 -4.67 1.34 4.77 -1.22 -4.95 117.00 115.06 1bjm n LEU 4 Ca -0.00 1.09 -0.37 0.00 -0.03 0.00 0.00 56.01 56.70 1bjm n LEU 4 Cb 0.10 -1.38 -0.09 0.00 -2.33 0.00 0.00 43.42 39.73 1bjm n LEU 4 CO 0.05 -0.45 -0.09 -0.89 -1.33 0.00 0.00 177.39 174.69 1bjm s THR 5 N 0.81 5.31 -0.01 -5.08 2.01 -0.63 -1.86 115.64 116.20 1bjm s THR 5 Ca 0.80 0.36 0.04 0.00 0.31 0.00 0.00 61.69 63.20 1bjm s THR 5 Cb -0.74 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1bjm s THR 5 CO 0.40 0.33 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.42 1bjm s GLN 6 N 1.03 1.10 0.70 4.92 -0.21 -1.26 -1.75 119.66 124.18 1bjm s GLN 6 Ca 0.11 -0.52 -0.17 0.00 0.02 0.00 0.00 55.36 54.81 1bjm s GLN 6 Cb -0.14 -1.07 0.01 0.00 1.00 0.00 0.00 33.01 32.82 1bjm s GLN 6 CO 0.05 0.29 1.21 -0.35 -2.12 0.00 0.00 175.29 174.37 1bjm n PRO 7 N 2.66 0.79 -0.13 2.91 -0.04 -1.26 -4.81 135.00 135.12 1bjm n PRO 7 Ca -0.14 0.33 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1bjm n PRO 7 Cb 0.55 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 1bjm n PRO 7 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1bjm h PRO 8 N 0.05 0.63 -5.06 0.54 0.11 -1.88 -3.36 132.00 123.02 1bjm h PRO 8 Ca -0.49 -0.18 -0.33 0.00 0.11 0.00 0.00 66.00 65.10 1bjm h PRO 8 Cb 1.33 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 32.21 1bjm h PRO 8 CO 0.50 0.71 -0.73 -1.54 -0.21 0.00 0.00 178.00 176.74 1bjm s SER 9 N -6.08 1.66 -0.13 -2.05 1.04 -1.26 -0.64 113.70 106.24 1bjm s SER 9 Ca -0.13 -0.90 -0.10 0.00 0.48 0.00 0.00 55.95 55.30 1bjm s SER 9 Cb 0.09 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.25 1bjm s SER 9 CO 0.78 -0.28 0.34 0.00 0.98 0.00 0.00 173.24 175.05 1bjm s ALA 10 N -2.80 -0.83 -0.04 5.32 0.00 -1.04 -4.47 121.76 117.91 1bjm s ALA 10 Ca 0.11 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 1bjm s ALA 10 Cb -0.01 -0.66 0.10 0.00 0.00 0.00 0.00 23.12 22.56 1bjm s ALA 10 CO 0.01 -0.19 0.88 -1.54 0.00 0.00 0.00 175.76 174.91 1bjm s SER 11 N 0.70 -0.40 0.30 0.00 1.04 -1.26 -2.39 113.70 111.70 1bjm s SER 11 Ca -0.04 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.39 1bjm s SER 11 Cb -0.05 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.51 1bjm s SER 11 CO -0.05 -0.57 0.75 0.61 0.98 0.00 0.00 173.24 174.95 1bjm n GLY 12 N 0.06 1.01 3.88 7.32 0.00 -1.04 -4.90 105.19 111.52 1bjm n GLY 12 Ca -0.10 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1bjm n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bjm s THR 13 N -2.19 4.69 0.47 2.61 -4.23 -1.26 -2.36 115.64 113.37 1bjm s THR 13 Ca 0.15 0.62 -0.22 0.00 -1.18 0.00 0.00 61.69 61.07 1bjm s THR 13 Cb -0.04 -3.84 -0.10 0.00 1.34 0.00 0.00 72.50 69.86 1bjm s THR 13 CO 0.09 -1.01 0.74 -2.65 -0.54 0.00 0.00 174.62 171.25 1bjm n PRO 14 N -2.60 0.85 -0.77 3.99 -0.02 -1.26 -1.28 135.00 133.90 1bjm n PRO 14 Ca 0.04 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1bjm n PRO 14 Cb 0.55 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1bjm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bjm n GLY 15 N 1.53 0.33 3.83 -1.23 0.00 1.58 -4.91 105.19 106.32 1bjm n GLY 15 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1bjm n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bjm s GLN 16 N -0.79 0.08 -0.22 1.61 0.74 -0.41 -4.35 119.66 116.32 1bjm s GLN 16 Ca 0.00 -0.29 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 1bjm s GLN 16 Cb 0.00 -1.77 0.02 0.00 1.10 0.00 0.00 33.01 32.36 1bjm s GLN 16 CO 0.00 -2.81 -0.10 0.50 -0.55 0.00 0.00 175.29 172.33 1bjm s ARG 17 N -5.73 2.94 -0.03 1.67 3.00 -1.26 0.43 118.95 119.97 1bjm s ARG 17 Ca 0.73 -0.90 0.08 0.00 -1.00 0.00 0.00 55.73 54.64 1bjm s ARG 17 Cb -0.06 -2.86 -0.02 0.00 0.00 0.00 0.00 34.95 32.01 1bjm s ARG 17 CO 0.54 -0.32 -0.26 0.08 0.00 0.00 0.00 175.30 175.34 1bjm s VAL 18 N 1.33 2.06 -0.05 7.11 1.01 -0.86 -4.94 120.40 126.06 1bjm s VAL 18 Ca 0.02 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 60.95 1bjm s VAL 18 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1bjm s VAL 18 CO -0.07 0.58 -0.18 -0.89 0.00 0.00 0.00 175.10 174.54 1bjm s THR 19 N -0.51 2.70 -0.23 3.92 2.01 -1.26 0.16 115.64 122.42 1bjm s THR 19 Ca 0.07 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1bjm s THR 19 Cb -0.11 -2.03 0.06 0.00 0.01 0.00 0.00 72.50 70.43 1bjm s THR 19 CO 0.00 0.58 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.83 1bjm s ILE 20 N -0.51 1.50 0.58 1.82 1.01 -0.44 -4.91 121.20 120.24 1bjm s ILE 20 Ca 0.07 -1.19 -0.05 0.00 0.00 0.00 0.00 60.65 59.47 1bjm s ILE 20 Cb -0.11 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1bjm s ILE 20 CO 0.01 -0.10 0.89 -0.94 0.00 0.00 0.00 174.94 174.80 1bjm s SER 21 N 1.41 5.59 -0.11 3.58 1.04 -1.26 -1.69 113.70 122.26 1bjm s SER 21 Ca -0.06 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.01 1bjm s SER 21 Cb -0.19 -1.68 0.06 0.00 0.10 0.00 0.00 66.02 64.31 1bjm s SER 21 CO -0.06 -1.05 0.23 0.00 0.98 0.00 0.00 173.24 173.34 1bjm s SER 23 N 2.13 2.62 0.00 0.00 0.15 -0.72 -0.36 113.70 117.51 1bjm s SER 23 Ca -0.01 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1bjm s SER 23 Cb -0.12 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1bjm s SER 23 CO -0.08 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1bjm n GLY 24 N 2.88 3.07 2.03 9.45 0.00 -0.91 -1.61 105.19 120.10 1bjm n GLY 24 Ca -0.17 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 1bjm n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bjm n SER 25 N -0.72 0.33 -2.37 1.61 7.64 -1.26 -4.74 113.62 114.11 1bjm n SER 25 Ca 0.00 -1.40 -0.33 0.00 1.01 0.00 0.00 58.87 58.15 1bjm n SER 25 Cb 0.00 -0.45 0.06 0.00 -1.01 0.00 0.00 64.21 62.80 1bjm n SER 25 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1bjm n SER 26 N -3.24 6.88 0.00 6.43 3.41 -1.26 -1.46 113.62 124.38 1bjm n SER 26 Ca 0.09 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.91 1bjm n SER 26 Cb 0.31 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1bjm n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bjm n SER 27 N -0.78 1.37 0.00 4.04 7.64 -0.48 -4.78 113.62 120.63 1bjm n SER 27 Ca 0.56 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1bjm n SER 27 Cb 0.66 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1bjm n SER 27 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bjm n ASN 28 N -1.76 0.00 -0.22 6.43 0.23 -1.25 -4.44 115.26 114.24 1bjm n ASN 28 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.93 1bjm n ASN 28 Cb 0.17 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.79 1bjm n ASN 28 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1bjm h ILE 29 N 0.00 0.02 -0.01 1.53 2.04 -1.85 1.76 117.51 121.00 1bjm h ILE 29 Ca 0.00 0.00 -0.43 0.00 1.00 0.00 0.00 64.86 65.43 1bjm h ILE 29 Cb 0.00 0.02 0.11 0.00 -0.74 0.00 0.00 36.82 36.21 1bjm h ILE 29 CO 0.00 0.00 1.10 0.61 0.00 0.00 0.00 178.15 179.86 1bjm n GLY 30 N -1.36 0.34 0.00 5.37 0.00 -0.54 -1.21 105.19 107.79 1bjm n GLY 30 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1bjm n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bjm n GLU 31 N 7.21 0.00 -0.35 1.61 2.13 -1.10 -1.38 120.64 128.77 1bjm n GLU 31 Ca 0.38 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1bjm n GLU 31 Cb 0.40 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.11 1bjm n GLU 31 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1bjm n ASN 32 N 0.00 0.00 -4.76 4.31 3.02 0.60 -5.03 115.26 113.39 1bjm n ASN 32 Ca 0.00 -0.84 -0.32 0.00 -0.03 0.00 0.00 54.58 53.39 1bjm n ASN 32 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1bjm n ASN 32 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1bjm s SER 33 N -1.00 5.53 -0.03 6.41 0.15 -1.26 -4.75 113.70 118.74 1bjm s SER 33 Ca 0.00 0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.77 1bjm s SER 33 Cb 0.00 -1.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.77 1bjm s SER 33 CO 0.00 0.23 -0.23 0.54 1.20 0.00 0.00 173.24 174.99 1bjm s VAL 34 N -1.25 1.82 0.19 4.45 0.11 -1.26 -3.86 120.40 120.58 1bjm s VAL 34 Ca 0.25 -0.96 0.08 0.00 -2.93 0.00 0.00 61.98 58.42 1bjm s VAL 34 Cb -0.12 -1.52 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 1bjm s VAL 34 CO 0.16 0.51 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.49 1bjm s THR 35 N -0.38 3.35 -0.03 5.04 2.01 -0.30 -0.81 115.64 124.53 1bjm s THR 35 Ca 0.04 -1.62 0.04 0.00 0.31 0.00 0.00 61.69 60.47 1bjm s THR 35 Cb -0.10 -2.68 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1bjm s THR 35 CO 0.01 -0.13 -0.15 0.26 -0.69 0.00 0.00 174.62 173.91 1bjm s TRP 36 N -1.76 1.48 0.12 4.92 0.52 -0.18 -2.02 118.94 122.01 1bjm s TRP 36 Ca 0.26 -0.37 0.10 0.00 0.02 0.00 0.00 56.10 56.12 1bjm s TRP 36 Cb -0.09 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 1bjm s TRP 36 CO 0.16 -0.11 -0.26 0.71 0.02 0.00 0.00 176.95 177.48 1bjm s TYR 37 N -0.07 2.23 -0.18 -1.98 1.51 0.88 -1.31 117.35 118.45 1bjm s TYR 37 Ca -0.00 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1bjm s TYR 37 Cb -0.09 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1bjm s TYR 37 CO 0.01 0.30 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.47 1bjm s GLN 38 N -1.95 3.19 -0.27 -0.62 0.74 -0.58 0.36 119.66 120.52 1bjm s GLN 38 Ca 0.13 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.79 1bjm s GLN 38 Cb -0.10 -2.69 0.08 0.00 1.10 0.00 0.00 33.01 31.40 1bjm s GLN 38 CO 0.05 -0.09 0.06 -1.58 -0.55 0.00 0.00 175.29 173.19 1bjm s HIS 39 N 1.07 1.75 0.40 1.67 2.46 -0.74 -1.26 115.29 120.65 1bjm s HIS 39 Ca -0.00 -1.59 -0.05 0.00 0.47 0.00 0.00 55.06 53.88 1bjm s HIS 39 Cb -0.14 -1.59 -0.04 0.00 -0.13 0.00 0.00 32.58 30.67 1bjm s HIS 39 CO -0.04 -0.80 0.70 -1.17 -2.47 0.00 0.00 174.74 170.95 1bjm s LEU 40 N 1.61 3.82 0.00 8.88 0.20 -1.26 -2.84 118.68 129.09 1bjm s LEU 40 Ca 0.05 0.85 -0.01 0.00 0.69 0.00 0.00 54.13 55.70 1bjm s LEU 40 Cb -0.18 -3.75 -0.06 0.00 -0.43 0.00 0.00 46.19 41.77 1bjm s LEU 40 CO -0.17 -0.42 1.47 -0.24 -0.29 0.00 0.00 176.35 176.69 1bjm n SER 41 N -1.72 2.49 -4.21 3.68 2.88 -1.26 -4.38 113.62 111.10 1bjm n SER 41 Ca -0.00 -1.82 -0.22 0.00 -1.33 0.00 0.00 58.87 55.50 1bjm n SER 41 Cb 0.55 -0.60 -0.13 0.00 -0.75 0.00 0.00 64.21 63.27 1bjm n SER 41 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1bjm s GLY 42 N 2.27 1.00 -0.67 0.46 0.00 -1.26 -5.06 107.32 104.06 1bjm s GLY 42 Ca 0.16 -1.01 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 1bjm s GLY 42 CO 0.00 -0.99 2.43 -1.30 0.00 0.00 0.00 173.10 173.24 1bjm n THR 43 N 1.61 -0.05 0.00 0.90 -2.24 -1.26 -4.75 114.28 108.49 1bjm n THR 43 Ca -0.19 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1bjm n THR 43 Cb 0.54 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 1bjm n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bjm n ALA 44 N 15.71 0.00 -2.44 6.98 0.00 -1.26 -5.10 120.51 134.40 1bjm n ALA 44 Ca 0.45 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 1bjm n ALA 44 Cb 0.44 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.00 1bjm n ALA 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bjm n PRO 45 N -1.38 -0.21 -3.49 0.00 -0.04 -1.26 -4.28 135.00 124.34 1bjm n PRO 45 Ca 0.00 -2.28 0.01 0.00 -0.04 0.00 0.00 63.50 61.18 1bjm n PRO 45 Cb 0.00 -0.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 1bjm n PRO 45 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1bjm s LYS 46 N -4.90 0.52 -0.13 0.54 1.02 -0.39 -4.91 119.74 111.49 1bjm s LYS 46 Ca 0.59 1.22 -0.29 0.00 0.02 0.00 0.00 55.97 57.51 1bjm s LYS 46 Cb -0.03 0.72 -0.03 0.00 -0.52 0.00 0.00 37.83 37.97 1bjm s LYS 46 CO 0.40 -0.27 1.42 -1.17 -0.92 0.00 0.00 175.35 174.81 1bjm s LEU 47 N 2.82 4.22 -0.19 3.17 2.96 -1.26 -1.53 118.68 128.87 1bjm s LEU 47 Ca 0.00 1.88 -0.17 0.00 -0.22 0.00 0.00 54.13 55.61 1bjm s LEU 47 Cb -0.12 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.90 1bjm s LEU 47 CO -0.19 -0.84 0.06 0.18 -1.32 0.00 0.00 176.35 174.25 1bjm n LEU 48 N 6.87 1.85 -4.25 -0.68 4.77 -0.43 -4.60 117.00 120.54 1bjm n LEU 48 Ca 0.15 0.48 -0.24 0.00 -0.03 0.00 0.00 56.01 56.38 1bjm n LEU 48 Cb 0.44 -0.93 -0.13 0.00 -2.33 0.00 0.00 43.42 40.47 1bjm n LEU 48 CO 0.59 0.05 -0.51 -0.63 -1.33 0.00 0.00 177.39 175.56 1bjm s ILE 49 N -2.34 1.59 0.03 -0.08 1.09 -1.22 0.16 121.20 120.44 1bjm s ILE 49 Ca -0.25 -1.32 -0.06 0.00 -1.10 0.00 0.00 60.65 57.93 1bjm s ILE 49 Cb 0.05 -1.42 -0.01 0.00 -1.06 0.00 0.00 42.46 40.02 1bjm s ILE 49 CO 0.47 0.06 0.10 -0.72 -0.10 0.00 0.00 174.94 174.75 1bjm s TYR 50 N -0.97 0.18 -1.27 3.97 -0.85 -0.78 -1.01 117.35 116.62 1bjm s TYR 50 Ca 0.06 -0.46 -0.13 0.00 -0.52 0.00 0.00 57.07 56.02 1bjm s TYR 50 Cb -0.09 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.12 1bjm s TYR 50 CO 0.03 -0.36 0.60 -1.91 -1.52 0.00 0.00 175.55 172.38 1bjm n GLU 51 N 0.84 -1.95 0.00 -3.49 2.13 -1.25 -1.46 120.64 115.47 1bjm n GLU 51 Ca -0.19 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1bjm n GLU 51 Cb 0.58 -4.06 0.00 0.00 0.27 0.00 0.00 31.44 28.23 1bjm n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bjm n ASP 52 N -2.74 0.00 0.00 4.31 8.00 0.01 -3.69 116.55 122.44 1bjm n ASP 52 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1bjm n ASP 52 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1bjm n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bjm n ASN 53 N 2.14 1.87 -4.61 -2.24 6.94 -1.23 -3.86 115.26 114.27 1bjm n ASN 53 Ca 0.00 -0.02 -0.43 0.00 -0.02 0.00 0.00 54.58 54.11 1bjm n ASN 53 Cb 0.00 0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 37.81 1bjm n ASN 53 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1bjm s SER 54 N -0.78 6.54 0.29 0.53 0.01 -0.54 -4.61 113.70 115.14 1bjm s SER 54 Ca 0.00 0.92 -0.30 0.00 1.31 0.00 0.00 55.95 57.88 1bjm s SER 54 Cb 0.00 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.57 1bjm s SER 54 CO 0.00 -1.25 1.54 -1.14 0.41 0.00 0.00 173.24 172.81 1bjm n ARG 55 N 7.70 2.56 -1.75 12.44 0.63 -1.26 -1.86 116.66 135.11 1bjm n ARG 55 Ca 0.15 0.91 -0.42 0.00 -0.92 0.00 0.00 57.85 57.57 1bjm n ARG 55 Cb 0.48 -2.66 -0.03 0.00 0.45 0.00 0.00 32.46 30.70 1bjm n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bjm s ALA 56 N -0.13 3.61 -0.13 5.13 0.00 0.43 -4.81 121.76 125.86 1bjm s ALA 56 Ca 0.64 1.26 -0.41 0.00 0.00 0.00 0.00 51.96 53.44 1bjm s ALA 56 Cb -0.53 -3.81 -0.19 0.00 0.00 0.00 0.00 23.12 18.59 1bjm s ALA 56 CO 0.50 -1.49 1.31 0.45 0.00 0.00 0.00 175.76 176.54 1bjm n SER 57 N 7.21 0.81 0.00 0.00 2.88 -1.26 0.34 113.62 123.60 1bjm n SER 57 Ca 0.19 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1bjm n SER 57 Cb 0.41 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1bjm n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bjm n GLY 58 N 2.55 0.66 3.82 0.46 0.00 -1.26 -5.05 105.19 106.36 1bjm n GLY 58 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1bjm n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bjm s VAL 59 N -2.19 4.19 0.53 1.61 1.01 0.15 -4.98 120.40 120.72 1bjm s VAL 59 Ca 0.00 1.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 1bjm s VAL 59 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1bjm s VAL 59 CO 0.00 -0.49 1.24 -0.44 0.00 0.00 0.00 175.10 175.41 1bjm s SER 60 N -2.63 5.60 0.00 3.32 0.01 -1.26 -4.89 113.70 113.85 1bjm s SER 60 Ca 0.62 2.47 0.13 0.00 1.31 0.00 0.00 55.95 60.48 1bjm s SER 60 Cb -0.12 -2.61 0.79 0.00 0.21 0.00 0.00 66.02 64.28 1bjm s SER 60 CO 0.27 -1.32 1.29 -0.90 0.41 0.00 0.00 173.24 172.99 1bjm n ASP 61 N -0.99 0.00 -0.32 2.44 5.68 -1.26 -2.05 116.55 120.05 1bjm n ASP 61 Ca 0.10 -0.98 0.13 0.00 -0.50 0.00 0.00 54.79 53.54 1bjm n ASP 61 Cb 0.48 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.04 1bjm n ASP 61 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1bjm n ARG 62 N -0.79 1.44 -3.96 0.11 1.74 -1.26 -4.62 116.66 109.32 1bjm n ARG 62 Ca 0.10 -0.64 -0.34 0.00 -0.77 0.00 0.00 57.85 56.19 1bjm n ARG 62 Cb 0.05 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 29.91 1bjm n ARG 62 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bjm s PHE 63 N -1.94 3.06 0.21 -1.55 0.08 -0.87 -0.72 117.98 116.25 1bjm s PHE 63 Ca 0.37 -1.53 0.08 0.00 0.12 0.00 0.00 56.93 55.98 1bjm s PHE 63 Cb 0.19 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1bjm s PHE 63 CO 0.30 -0.72 -0.16 -1.54 -0.10 0.00 0.00 175.22 173.00 1bjm s SER 64 N 1.33 2.73 0.03 1.36 1.04 -1.12 -4.94 113.70 114.12 1bjm s SER 64 Ca 0.00 -0.99 -0.22 0.00 0.48 0.00 0.00 55.95 55.22 1bjm s SER 64 Cb -0.16 -0.16 0.05 0.00 0.10 0.00 0.00 66.02 65.84 1bjm s SER 64 CO -0.04 -0.12 0.50 0.00 0.98 0.00 0.00 173.24 174.56 1bjm s ALA 65 N -2.75 -1.27 0.20 5.32 0.00 -1.26 -2.49 121.76 119.51 1bjm s ALA 65 Ca 0.22 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 1bjm s ALA 65 Cb -0.02 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1bjm s ALA 65 CO 0.08 -0.46 0.43 -1.54 0.00 0.00 0.00 175.76 174.26 1bjm s SER 66 N -1.84 -0.10 0.08 0.00 1.04 -0.81 -4.49 113.70 107.58 1bjm s SER 66 Ca -0.07 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1bjm s SER 66 Cb -0.01 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1bjm s SER 66 CO -0.00 -1.03 0.00 -0.75 0.98 0.00 0.00 173.24 172.44 1bjm s LYS 67 N -3.96 0.71 -0.38 4.02 2.36 -1.26 -1.49 119.74 119.74 1bjm s LYS 67 Ca 0.16 -1.28 0.11 0.00 -2.55 0.00 0.00 55.97 52.41 1bjm s LYS 67 Cb 0.01 0.22 0.40 0.00 -1.05 0.00 0.00 37.83 37.41 1bjm s LYS 67 CO 0.02 -0.16 1.31 -1.13 1.55 0.00 0.00 175.35 176.95 1bjm n SER 68 N 0.05 -1.37 0.00 1.43 3.41 -0.68 -4.95 113.62 111.51 1bjm n SER 68 Ca -0.11 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 1bjm n SER 68 Cb 0.62 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 1bjm n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bjm n GLY 69 N -0.59 1.27 0.16 5.00 0.00 -1.26 -4.41 105.19 105.37 1bjm n GLY 69 Ca -0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1bjm n GLY 69 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bjm h THR 70 N 0.00 1.26 -0.91 2.61 1.35 -1.86 -1.43 112.91 113.94 1bjm h THR 70 Ca 0.00 -0.95 -0.49 0.00 -0.55 0.00 0.00 66.41 64.42 1bjm h THR 70 Cb 0.00 1.35 0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1bjm h THR 70 CO 0.00 0.30 -0.17 -0.94 -0.25 0.00 0.00 175.52 174.46 1bjm s SER 71 N -6.00 5.12 0.21 5.36 1.04 -1.26 -2.13 113.70 116.04 1bjm s SER 71 Ca -0.13 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.24 1bjm s SER 71 Cb 0.08 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.35 1bjm s SER 71 CO 0.76 -1.17 0.70 0.00 0.98 0.00 0.00 173.24 174.51 1bjm s ALA 72 N -2.62 -1.44 -0.15 5.32 0.00 0.51 -1.68 121.76 121.70 1bjm s ALA 72 Ca 0.56 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 1bjm s ALA 72 Cb -0.06 0.82 0.11 0.00 0.00 0.00 0.00 23.12 23.99 1bjm s ALA 72 CO 0.35 -0.92 0.90 -1.54 0.00 0.00 0.00 175.76 174.55 1bjm s SER 73 N -2.83 -0.48 -0.11 0.00 1.04 -0.55 -1.41 113.70 109.36 1bjm s SER 73 Ca 0.07 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.12 1bjm s SER 73 Cb -0.03 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1bjm s SER 73 CO -0.02 -0.38 -0.12 -0.22 0.98 0.00 0.00 173.24 173.48 1bjm s LEU 74 N -0.86 1.52 -0.19 2.42 2.96 -0.68 -1.93 118.68 121.92 1bjm s LEU 74 Ca -0.03 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1bjm s LEU 74 Cb -0.01 -0.97 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 1bjm s LEU 74 CO 0.03 -0.04 0.12 0.00 -1.32 0.00 0.00 176.35 175.14 1bjm s ALA 75 N 1.26 3.67 -0.78 5.97 0.00 -1.04 -1.33 121.76 129.51 1bjm s ALA 75 Ca -0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1bjm s ALA 75 Cb -0.14 -2.11 0.20 0.00 0.00 0.00 0.00 23.12 21.07 1bjm s ALA 75 CO -0.05 0.22 0.66 0.42 0.00 0.00 0.00 175.76 177.01 1bjm s ILE 76 N 0.20 4.65 -1.30 0.00 1.01 0.42 -2.81 121.20 123.36 1bjm s ILE 76 Ca 0.08 -3.00 -0.16 0.00 0.00 0.00 0.00 60.65 57.57 1bjm s ILE 76 Cb -0.11 -3.92 0.09 0.00 0.01 0.00 0.00 42.46 38.53 1bjm s ILE 76 CO -0.01 -0.99 1.75 -1.54 0.00 0.00 0.00 174.94 174.15 1bjm n SER 77 N 3.38 4.86 0.00 3.58 3.41 0.10 -2.03 113.62 126.92 1bjm n SER 77 Ca 0.14 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 1bjm n SER 77 Cb 0.41 -1.69 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 1bjm n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bjm n GLY 78 N 4.84 0.00 2.97 5.00 0.00 -1.08 -4.57 105.19 112.36 1bjm n GLY 78 Ca 0.47 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.94 1bjm n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bjm n LEU 79 N 0.00 0.81 -4.11 0.99 7.94 0.17 -4.42 117.00 118.38 1bjm n LEU 79 Ca 0.00 0.77 -0.13 0.00 -1.11 0.00 0.00 56.01 55.54 1bjm n LEU 79 Cb 0.00 -0.76 -0.11 0.00 0.53 0.00 0.00 43.42 43.08 1bjm n LEU 79 CO 0.00 -0.69 -0.40 0.00 -1.11 0.00 0.00 177.39 175.19 1bjm s GLN 80 N 4.05 0.67 0.00 1.96 -2.07 -1.26 0.45 119.66 123.46 1bjm s GLN 80 Ca 0.97 -0.98 0.06 0.00 -1.82 0.00 0.00 55.36 53.60 1bjm s GLN 80 Cb -1.29 -0.34 0.27 0.00 -1.09 0.00 0.00 33.01 30.56 1bjm s GLN 80 CO 0.62 0.05 1.19 -0.35 -1.32 0.00 0.00 175.29 175.48 1bjm n PRO 81 N 0.93 0.01 -0.01 9.60 -0.04 -1.26 -1.68 135.00 142.55 1bjm n PRO 81 Ca -0.19 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1bjm n PRO 81 Cb 0.57 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.11 1bjm n PRO 81 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bjm n GLU 82 N -1.48 1.13 -0.00 0.54 4.71 -1.26 -1.65 120.64 122.63 1bjm n GLU 82 Ca 0.02 -0.19 0.09 0.00 -0.01 0.00 0.00 57.16 57.07 1bjm n GLU 82 Cb 0.07 -1.34 -0.11 0.00 -1.01 0.00 0.00 31.44 29.04 1bjm n GLU 82 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bjm n ASP 83 N -0.63 0.93 -4.56 1.62 8.00 -0.68 -4.79 116.55 116.44 1bjm n ASP 83 Ca 0.16 -0.95 -0.37 0.00 0.71 0.00 0.00 54.79 54.34 1bjm n ASP 83 Cb 0.12 1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 42.20 1bjm n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1bjm s GLU 84 N -2.87 3.31 0.27 -1.24 2.02 -0.66 -4.76 118.70 114.77 1bjm s GLU 84 Ca 0.07 -1.00 -0.12 0.00 0.02 0.00 0.00 54.97 53.94 1bjm s GLU 84 Cb 0.15 -5.30 0.00 0.00 0.10 0.00 0.00 34.13 29.08 1bjm s GLU 84 CO 0.81 -2.61 0.51 0.99 0.02 0.00 0.00 175.26 174.98 1bjm s THR 85 N 6.54 0.00 0.24 3.63 2.01 -1.25 -5.01 115.64 121.79 1bjm s THR 85 Ca 0.54 -1.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 1bjm s THR 85 Cb -0.01 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.16 1bjm s THR 85 CO -0.04 0.00 0.53 -1.81 -0.69 0.00 0.00 174.62 172.61 1bjm s ASP 86 N -3.04 6.56 -0.05 3.53 1.11 -1.13 -2.58 116.67 121.08 1bjm s ASP 86 Ca 0.22 0.84 0.03 0.00 0.18 0.00 0.00 52.55 53.82 1bjm s ASP 86 Cb -0.01 -2.19 0.01 0.00 1.07 0.00 0.00 42.92 41.79 1bjm s ASP 86 CO 0.10 -0.09 -0.13 -0.31 1.18 0.00 0.00 175.17 175.92 1bjm s TYR 87 N -1.87 1.37 -0.02 4.23 1.51 0.65 -1.79 117.35 121.43 1bjm s TYR 87 Ca 0.46 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 56.16 1bjm s TYR 87 Cb -0.11 -0.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1bjm s TYR 87 CO 0.24 -0.19 -0.20 0.71 -1.11 0.00 0.00 175.55 175.00 1bjm s TYR 88 N 0.34 1.82 0.38 2.71 2.02 0.16 -1.19 117.35 123.58 1bjm s TYR 88 Ca -0.08 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.35 1bjm s TYR 88 Cb -0.12 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 1bjm s TYR 88 CO 0.02 -0.03 0.43 0.00 -1.57 0.00 0.00 175.55 174.40 1bjm s ALA 90 N -2.33 -2.38 0.80 0.00 0.00 -0.86 -0.90 121.76 116.10 1bjm s ALA 90 Ca 0.47 2.18 -0.04 0.00 0.00 0.00 0.00 51.96 54.57 1bjm s ALA 90 Cb -0.07 -1.81 0.16 0.00 0.00 0.00 0.00 23.12 21.40 1bjm s ALA 90 CO 0.30 -0.59 1.10 0.00 0.00 0.00 0.00 175.76 176.56 1bjm s ALA 91 N 1.84 3.38 -0.29 0.00 0.00 -0.43 -1.15 121.76 125.11 1bjm s ALA 91 Ca -0.07 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.19 1bjm s ALA 91 Cb -0.05 -2.12 0.19 0.00 0.00 0.00 0.00 23.12 21.13 1bjm s ALA 91 CO -0.16 -1.80 0.55 -0.46 0.00 0.00 0.00 175.76 173.89 1bjm s TRP 92 N -3.36 -1.62 0.00 0.00 -0.11 -1.25 -2.12 118.94 110.49 1bjm s TRP 92 Ca 0.70 1.09 0.00 0.00 1.22 0.00 0.00 56.10 59.11 1bjm s TRP 92 Cb -0.04 0.28 0.00 0.00 -1.50 0.00 0.00 33.47 32.21 1bjm s TRP 92 CO 0.47 -1.01 0.00 -0.25 -4.62 0.00 0.00 176.95 171.54 1bjm n ASP 93 N 5.41 0.00 -0.05 5.86 9.92 -0.76 -4.81 116.55 132.11 1bjm n ASP 93 Ca 0.02 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.13 1bjm n ASP 93 Cb 0.52 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.94 1bjm n ASP 93 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1bjm h ASP 94 N 0.00 0.78 -3.28 -2.24 5.19 -1.91 -3.43 116.42 111.54 1bjm h ASP 94 Ca 0.00 -0.57 -0.65 0.00 -0.62 0.00 0.00 57.03 55.19 1bjm h ASP 94 Cb 0.00 -0.23 -0.16 0.00 0.18 0.00 0.00 39.33 39.12 1bjm h ASP 94 CO 0.00 1.21 -0.76 -0.94 -3.12 0.00 0.00 179.24 175.63 1bjm s SER 95 N -6.76 4.01 0.49 6.45 1.04 -1.26 -5.09 113.70 112.58 1bjm s SER 95 Ca -0.12 -0.61 -0.22 0.00 0.48 0.00 0.00 55.95 55.48 1bjm s SER 95 Cb 0.08 -0.59 -0.07 0.00 0.10 0.00 0.00 66.02 65.53 1bjm s SER 95 CO 0.85 0.13 1.14 -0.76 0.98 0.00 0.00 173.24 175.59 1bjm s LEU 96 N -2.57 3.92 -1.17 2.42 1.02 -1.26 -4.10 118.68 116.93 1bjm s LEU 96 Ca 0.22 2.24 -0.17 0.00 0.02 0.00 0.00 54.13 56.44 1bjm s LEU 96 Cb -0.09 -4.37 -0.01 0.00 0.02 0.00 0.00 46.19 41.73 1bjm s LEU 96 CO 0.13 -1.01 0.76 0.47 0.02 0.00 0.00 176.35 176.72 1bjm n ASP 97 N -0.78 -4.64 -4.16 2.29 9.92 -1.26 -5.03 116.55 112.88 1bjm n ASP 97 Ca 0.09 -0.99 -0.14 0.00 -0.53 0.00 0.00 54.79 53.22 1bjm n ASP 97 Cb 0.49 -3.46 -0.11 0.00 -0.64 0.00 0.00 41.12 37.41 1bjm n ASP 97 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1bjm s VAL 98 N -3.52 0.86 0.10 2.53 -7.23 -1.26 -4.99 120.40 106.89 1bjm s VAL 98 Ca 0.40 -1.63 -0.20 0.00 -1.81 0.00 0.00 61.98 58.74 1bjm s VAL 98 Cb -0.14 -1.33 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 1bjm s VAL 98 CO 0.86 -0.59 0.60 0.00 -0.31 0.00 0.00 175.10 175.65 1bjm s ALA 99 N -2.53 3.56 -0.48 1.32 0.00 -1.26 -1.83 121.76 120.55 1bjm s ALA 99 Ca 0.05 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1bjm s ALA 99 Cb -0.02 -2.67 0.13 0.00 0.00 0.00 0.00 23.12 20.55 1bjm s ALA 99 CO -0.01 0.39 0.23 0.08 0.00 0.00 0.00 175.76 176.45 1bjm s VAL 100 N -1.16 2.85 0.56 0.00 1.01 -0.90 -4.96 120.40 117.79 1bjm s VAL 100 Ca 0.31 -2.80 -0.17 0.00 0.00 0.00 0.00 61.98 59.33 1bjm s VAL 100 Cb -0.19 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1bjm s VAL 100 CO 0.20 -0.75 1.04 -0.36 0.00 0.00 0.00 175.10 175.23 1bjm s PHE 101 N 0.29 3.08 0.50 5.22 0.40 -1.26 -1.31 117.98 124.90 1bjm s PHE 101 Ca 0.14 1.52 -0.01 0.00 -0.60 0.00 0.00 56.93 57.98 1bjm s PHE 101 Cb -0.22 -2.98 0.01 0.00 0.51 0.00 0.00 43.02 40.34 1bjm s PHE 101 CO -0.03 -0.90 0.74 0.20 0.70 0.00 0.00 175.22 175.92 1bjm s GLY 102 N -2.68 1.64 0.39 4.36 0.00 -0.08 -3.38 107.32 107.57 1bjm s GLY 102 Ca 0.63 -1.06 0.26 0.00 0.00 0.00 0.00 44.72 44.56 1bjm s GLY 102 CO 0.32 -0.84 1.81 -0.84 0.00 0.00 0.00 173.10 173.55 1bjm h THR 103 N 0.20 0.00 0.00 0.90 2.02 -1.70 -3.44 112.91 110.90 1bjm h THR 103 Ca -0.45 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1bjm h THR 103 Cb 1.27 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1bjm h THR 103 CO 0.57 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.07 1bjm n GLY 104 N -1.10 -1.36 3.08 2.16 0.00 -1.26 -4.98 105.19 101.73 1bjm n GLY 104 Ca -0.01 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 1bjm n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bjm s THR 105 N -2.52 1.41 -0.24 2.61 2.01 -0.33 -4.58 115.64 114.01 1bjm s THR 105 Ca 0.00 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 1bjm s THR 105 Cb 0.00 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 1bjm s THR 105 CO 0.00 0.42 0.21 -0.75 -0.69 0.00 0.00 174.62 173.80 1bjm s LYS 106 N 0.60 4.08 -0.23 4.92 2.20 0.19 -0.25 119.74 131.24 1bjm s LYS 106 Ca -0.15 -0.19 -0.10 0.00 -0.36 0.00 0.00 55.97 55.17 1bjm s LYS 106 Cb -0.16 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 1bjm s LYS 106 CO 0.05 0.03 0.14 0.14 -0.36 0.00 0.00 175.35 175.34 1bjm s VAL 107 N 1.15 5.21 -0.02 4.02 -7.23 -1.06 -2.50 120.40 119.97 1bjm s VAL 107 Ca 0.10 0.13 0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1bjm s VAL 107 Cb -0.14 -3.42 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 1bjm s VAL 107 CO 0.05 0.37 -0.23 -0.89 -0.31 0.00 0.00 175.10 174.09 1bjm s THR 108 N 0.93 1.83 -0.40 5.32 2.01 -1.00 -3.89 115.64 120.43 1bjm s THR 108 Ca 0.07 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 1bjm s THR 108 Cb -0.13 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1bjm s THR 108 CO 0.03 0.52 0.47 -0.69 -0.69 0.00 0.00 174.62 174.26 1bjm s VAL 109 N -0.50 5.05 -0.29 3.82 1.01 -1.26 -2.49 120.40 125.74 1bjm s VAL 109 Ca 0.08 -0.14 -0.42 0.00 0.00 0.00 0.00 61.98 61.50 1bjm s VAL 109 Cb -0.09 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.08 1bjm s VAL 109 CO -0.00 -0.38 1.58 0.18 0.00 0.00 0.00 175.10 176.47 1bjm n LEU 110 N 5.70 1.63 -0.19 3.92 4.32 -0.99 -4.85 117.00 126.54 1bjm n LEU 110 Ca -0.06 1.13 0.06 0.00 -0.02 0.00 0.00 56.01 57.12 1bjm n LEU 110 Cb 0.48 -1.03 -0.02 0.00 -1.62 0.00 0.00 43.42 41.23 1bjm n LEU 110 CO 0.46 -0.80 0.14 0.61 -1.22 0.00 0.00 177.39 176.59 1bjm n GLY 111 N 3.66 -0.11 3.86 -0.72 0.00 -1.26 -4.86 105.19 105.77 1bjm n GLY 111 Ca 0.27 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1bjm n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bjm s GLN 112 N -1.75 1.79 0.59 1.61 -2.07 -1.26 -5.17 119.66 113.40 1bjm s GLN 112 Ca 0.08 -0.99 -0.16 0.00 -1.82 0.00 0.00 55.36 52.47 1bjm s GLN 112 Cb 0.10 0.61 -0.04 0.00 -1.09 0.00 0.00 33.01 32.59 1bjm s GLN 112 CO 0.37 -0.82 1.08 -1.25 -1.32 0.00 0.00 175.29 173.35 1bjm s PRO 113 N -3.89 3.25 0.54 9.60 0.05 -1.26 -5.00 135.00 138.29 1bjm s PRO 113 Ca 0.11 1.31 -0.22 0.00 0.05 0.00 0.00 61.00 62.26 1bjm s PRO 113 Cb -0.06 -2.02 -0.05 0.00 0.05 0.00 0.00 34.50 32.43 1bjm s PRO 113 CO 0.07 -0.88 1.36 0.15 0.05 0.00 0.00 177.00 177.75 1bjm s LYS 114 N -3.89 3.15 -0.11 4.56 1.02 -1.26 -4.78 119.74 118.42 1bjm s LYS 114 Ca 0.66 2.24 -0.04 0.00 0.02 0.00 0.00 55.97 58.84 1bjm s LYS 114 Cb -0.18 -2.26 0.06 0.00 -0.52 0.00 0.00 37.83 34.92 1bjm s LYS 114 CO 0.35 -1.18 0.23 0.00 -0.92 0.00 0.00 175.35 173.83 1bjm s ALA 115 N -1.30 -0.44 0.51 5.17 0.00 -0.44 -4.90 121.76 120.36 1bjm s ALA 115 Ca 0.71 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 53.33 1bjm s ALA 115 Cb -0.40 -0.92 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 1bjm s ALA 115 CO 0.48 -0.57 1.01 -0.80 0.00 0.00 0.00 175.76 175.88 1bjm s ASN 116 N 2.25 6.37 0.50 0.00 0.02 -1.26 -1.45 114.94 121.38 1bjm s ASN 116 Ca 0.01 1.77 -0.15 0.00 -1.02 0.00 0.00 52.86 53.47 1bjm s ASN 116 Cb -0.12 -2.54 -0.07 0.00 0.02 0.00 0.00 41.25 38.54 1bjm s ASN 116 CO -0.08 -0.76 0.95 -2.16 0.02 0.00 0.00 177.10 175.07 1bjm s PRO 117 N -3.65 3.87 -0.23 -0.60 0.04 -1.25 -4.32 135.00 128.86 1bjm s PRO 117 Ca 0.63 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 1bjm s PRO 117 Cb -0.13 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1bjm s PRO 117 CO 0.26 -0.26 0.14 0.99 0.04 0.00 0.00 177.00 178.17 1bjm s THR 118 N -2.64 5.18 -0.09 1.26 2.01 0.27 -4.92 115.64 116.71 1bjm s THR 118 Ca 0.57 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.68 1bjm s THR 118 Cb -0.10 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1bjm s THR 118 CO 0.34 0.36 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.86 1bjm s VAL 119 N 1.01 3.59 -0.06 3.82 1.01 -1.26 -0.21 120.40 128.30 1bjm s VAL 119 Ca 0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1bjm s VAL 119 Cb -0.13 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1bjm s VAL 119 CO 0.04 0.56 0.11 -0.89 0.00 0.00 0.00 175.10 174.92 1bjm s THR 120 N -0.37 -0.10 -0.18 3.92 2.01 -0.72 -4.99 115.64 115.21 1bjm s THR 120 Ca 0.05 0.25 -0.08 0.00 0.31 0.00 0.00 61.69 62.22 1bjm s THR 120 Cb -0.12 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1bjm s THR 120 CO 0.02 0.10 0.08 -0.22 -0.69 0.00 0.00 174.62 173.91 1bjm s LEU 121 N 1.44 3.92 -0.13 4.42 2.96 -1.26 -0.20 118.68 129.82 1bjm s LEU 121 Ca -0.06 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1bjm s LEU 121 Cb -0.12 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.61 1bjm s LEU 121 CO -0.05 0.20 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.71 1bjm s PHE 122 N 0.20 1.85 0.81 5.38 0.40 -0.10 -5.00 117.98 121.52 1bjm s PHE 122 Ca 0.05 -1.00 -0.12 0.00 -0.60 0.00 0.00 56.93 55.26 1bjm s PHE 122 Cb -0.12 -1.43 0.08 0.00 0.51 0.00 0.00 43.02 42.06 1bjm s PHE 122 CO 0.00 -0.60 1.18 -1.25 0.70 0.00 0.00 175.22 175.25 1bjm s PRO 123 N 1.59 1.96 0.96 0.24 0.04 -1.26 0.63 135.00 139.16 1bjm s PRO 123 Ca 0.05 0.11 -0.10 0.00 0.04 0.00 0.00 61.00 61.10 1bjm s PRO 123 Cb -0.13 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.64 1bjm s PRO 123 CO -0.10 -1.60 1.13 -2.30 0.04 0.00 0.00 177.00 174.17 1bjm n PRO 124 N -3.32 -0.80 -2.51 0.56 -0.02 -1.25 -4.81 135.00 122.86 1bjm n PRO 124 Ca 0.08 -0.17 -0.24 0.00 -2.02 0.00 0.00 63.50 61.15 1bjm n PRO 124 Cb 0.61 -2.35 0.11 0.00 -0.02 0.00 0.00 33.50 31.86 1bjm n PRO 124 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1bjm s SER 125 N -2.60 4.25 0.12 2.55 1.04 -1.26 -4.97 113.70 112.83 1bjm s SER 125 Ca 0.67 -0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 1bjm s SER 125 Cb -0.23 -0.10 -0.12 0.00 0.10 0.00 0.00 66.02 65.67 1bjm s SER 125 CO 0.59 -1.93 1.36 0.77 0.98 0.00 0.00 173.24 175.01 1bjm h SER 126 N -0.63 0.96 0.57 7.02 4.64 -1.95 -3.19 113.55 120.96 1bjm h SER 126 Ca -0.38 -0.57 -0.02 0.00 -0.47 0.00 0.00 61.79 60.36 1bjm h SER 126 Cb 1.27 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1bjm h SER 126 CO 0.41 1.37 -0.51 1.05 -0.87 0.00 0.00 176.83 178.28 1bjm h GLU 127 N 0.60 -1.02 0.00 4.77 9.09 -1.98 0.27 114.58 126.32 1bjm h GLU 127 Ca -0.02 0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.46 1bjm h GLU 127 Cb 1.28 0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 28.62 1bjm h GLU 127 CO 0.14 -0.68 -0.00 1.49 0.05 0.00 0.00 179.01 180.01 1bjm h GLU 128 N -1.05 0.00 0.00 1.06 4.81 -1.87 -2.34 114.58 115.19 1bjm h GLU 128 Ca -0.07 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.97 1bjm h GLU 128 Cb 0.90 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 1bjm h GLU 128 CO -0.03 0.00 -1.27 -0.07 -0.73 0.00 0.00 179.01 176.91 1bjm h LEU 129 N 0.00 0.00 -0.92 1.64 3.38 -1.29 -0.29 115.31 117.83 1bjm h LEU 129 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bjm h LEU 129 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1bjm h LEU 129 CO 0.00 0.69 0.00 1.56 0.09 0.00 0.00 178.44 180.78 1bjm h GLN 130 N 0.00 0.00 -0.35 1.13 4.20 0.06 -1.76 115.11 118.39 1bjm h GLN 130 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1bjm h GLN 130 Cb 1.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.44 1bjm h GLN 130 CO 0.07 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 1bjm n ALA 131 N -2.08 2.43 -3.29 3.87 0.00 -1.09 -4.98 120.51 115.37 1bjm n ALA 131 Ca 0.02 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.35 1bjm n ALA 131 Cb 0.38 -0.89 0.07 0.00 0.00 0.00 0.00 19.45 19.00 1bjm n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bjm n ASN 132 N 1.38 -4.22 -4.17 0.00 5.15 -0.66 -5.03 115.26 107.71 1bjm n ASN 132 Ca 0.19 -0.45 -0.11 0.00 -0.60 0.00 0.00 54.58 53.60 1bjm n ASN 132 Cb 0.58 -4.14 -0.10 0.00 -0.53 0.00 0.00 39.78 35.59 1bjm n ASN 132 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1bjm s LYS 133 N -5.69 1.15 -0.28 1.20 1.02 -0.13 -4.53 119.74 112.48 1bjm s LYS 133 Ca 0.30 -1.54 -0.11 0.00 0.02 0.00 0.00 55.97 54.64 1bjm s LYS 133 Cb -0.13 0.28 0.12 0.00 -0.52 0.00 0.00 37.83 37.58 1bjm s LYS 133 CO 0.58 -0.37 0.63 0.00 -0.92 0.00 0.00 175.35 175.26 1bjm s ALA 134 N -4.12 -1.91 -0.04 5.17 0.00 -1.09 -2.94 121.76 116.84 1bjm s ALA 134 Ca 0.34 2.25 -0.00 0.00 0.00 0.00 0.00 51.96 54.55 1bjm s ALA 134 Cb 0.07 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1bjm s ALA 134 CO 0.09 -0.82 0.01 0.99 0.00 0.00 0.00 175.76 176.03 1bjm s THR 135 N 2.65 0.18 0.05 0.00 2.01 -1.26 0.71 115.64 119.98 1bjm s THR 135 Ca -0.06 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1bjm s THR 135 Cb -0.11 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1bjm s THR 135 CO -0.18 0.18 0.16 -0.76 -0.69 0.00 0.00 174.62 173.33 1bjm s LEU 136 N 1.45 4.18 0.03 4.42 1.43 -0.60 -3.77 118.68 125.83 1bjm s LEU 136 Ca -0.04 0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1bjm s LEU 136 Cb -0.13 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1bjm s LEU 136 CO -0.03 0.19 -0.25 0.54 0.23 0.00 0.00 176.35 177.03 1bjm s VAL 137 N -1.43 2.04 -0.53 -1.59 0.11 0.20 -1.81 120.40 117.39 1bjm s VAL 137 Ca 0.32 -1.31 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1bjm s VAL 137 Cb -0.13 -1.74 0.14 0.00 -1.53 0.00 0.00 36.38 33.13 1bjm s VAL 137 CO 0.24 0.37 0.33 0.00 -3.33 0.00 0.00 175.10 172.71 1bjm s LEU 139 N 0.31 4.46 -0.25 0.00 2.96 0.72 -2.65 118.68 124.23 1bjm s LEU 139 Ca 0.14 2.04 0.03 0.00 -0.22 0.00 0.00 54.13 56.11 1bjm s LEU 139 Cb -0.22 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 42.93 1bjm s LEU 139 CO -0.03 -0.26 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.99 1bjm s ILE 140 N 0.07 2.14 0.28 6.68 1.01 0.10 -1.76 121.20 129.71 1bjm s ILE 140 Ca 0.51 -1.56 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1bjm s ILE 140 Cb -0.29 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1bjm s ILE 140 CO 0.33 0.02 0.17 -0.94 0.00 0.00 0.00 174.94 174.52 1bjm s SER 141 N 1.13 1.14 -1.00 3.58 1.04 0.70 -1.28 113.70 119.01 1bjm s SER 141 Ca -0.08 -1.54 -0.12 0.00 0.48 0.00 0.00 55.95 54.70 1bjm s SER 141 Cb -0.19 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1bjm s SER 141 CO -0.06 -0.90 0.76 0.47 0.98 0.00 0.00 173.24 174.49 1bjm n ASP 142 N -0.82 -5.87 -4.07 7.02 8.00 -1.11 0.96 116.55 120.66 1bjm n ASP 142 Ca 0.02 -0.80 -0.14 0.00 0.71 0.00 0.00 54.79 54.59 1bjm n ASP 142 Cb 0.65 -3.63 -0.11 0.00 -0.02 0.00 0.00 41.12 38.00 1bjm n ASP 142 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1bjm s PHE 143 N -3.29 0.73 -0.23 1.24 -0.12 -1.21 -3.96 117.98 111.15 1bjm s PHE 143 Ca 0.30 -0.49 -0.14 0.00 -0.05 0.00 0.00 56.93 56.55 1bjm s PHE 143 Cb -0.10 -0.44 0.07 0.00 -0.63 0.00 0.00 43.02 41.92 1bjm s PHE 143 CO 0.84 -0.07 0.57 -0.47 -0.05 0.00 0.00 175.22 176.04 1bjm s TYR 144 N -1.36 -0.84 1.33 3.49 5.04 -0.53 -1.61 117.35 122.87 1bjm s TYR 144 Ca -0.09 1.75 -0.19 0.00 -2.44 0.00 0.00 57.07 56.10 1bjm s TYR 144 Cb -0.10 0.44 0.34 0.00 0.35 0.00 0.00 41.96 42.99 1bjm s TYR 144 CO 0.01 -0.43 0.96 -2.14 -1.34 0.00 0.00 175.55 172.61 1bjm s PRO 145 N 1.36 -2.24 -1.31 4.97 0.02 -1.26 -1.32 135.00 135.21 1bjm s PRO 145 Ca -0.08 0.44 -0.06 0.00 0.02 0.00 0.00 61.00 61.32 1bjm s PRO 145 Cb -0.06 -1.43 0.10 0.00 0.02 0.00 0.00 34.50 33.13 1bjm s PRO 145 CO -0.14 -4.50 2.44 0.41 -0.33 0.00 0.00 177.00 174.88 1bjm n GLY 146 N 1.29 5.12 3.51 0.52 0.00 -1.26 -4.88 105.19 109.48 1bjm n GLY 146 Ca 0.08 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 1bjm n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bjm s ALA 147 N -0.95 -1.56 0.24 4.61 0.00 -1.26 -4.73 121.76 118.11 1bjm s ALA 147 Ca 0.55 2.01 0.01 0.00 0.00 0.00 0.00 51.96 54.54 1bjm s ALA 147 Cb 0.19 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1bjm s ALA 147 CO -0.10 -0.33 0.15 0.14 0.00 0.00 0.00 175.76 175.63 1bjm s VAL 148 N 1.26 0.11 -0.06 0.00 -7.23 -1.26 -4.57 120.40 108.65 1bjm s VAL 148 Ca -0.07 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1bjm s VAL 148 Cb -0.06 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.39 1bjm s VAL 148 CO -0.13 0.00 -0.05 0.28 -0.31 0.00 0.00 175.10 174.88 1bjm s THR 149 N -3.93 0.67 -0.04 5.32 -1.32 -0.84 -4.94 115.64 110.55 1bjm s THR 149 Ca 0.39 -0.17 0.06 0.00 -1.21 0.00 0.00 61.69 60.77 1bjm s THR 149 Cb 0.06 -0.69 -0.02 0.00 -1.51 0.00 0.00 72.50 70.34 1bjm s THR 149 CO 0.15 0.27 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.91 1bjm s VAL 150 N 1.09 2.32 0.01 5.08 1.01 -1.25 -0.68 120.40 127.98 1bjm s VAL 150 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1bjm s VAL 150 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1bjm s VAL 150 CO -0.01 0.58 -0.02 0.00 0.00 0.00 0.00 175.10 175.65 1bjm s ALA 151 N -0.55 0.15 0.01 5.51 0.00 -0.16 -4.99 121.76 121.74 1bjm s ALA 151 Ca 0.08 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.80 1bjm s ALA 151 Cb -0.11 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1bjm s ALA 151 CO 0.00 -0.05 -0.24 -1.58 0.00 0.00 0.00 175.76 173.89 1bjm s TRP 152 N -0.68 2.17 0.21 0.00 0.52 -1.26 0.33 118.94 120.23 1bjm s TRP 152 Ca -0.07 -0.41 0.06 0.00 0.02 0.00 0.00 56.10 55.70 1bjm s TRP 152 Cb -0.05 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.88 1bjm s TRP 152 CO -0.00 0.04 -0.08 0.15 0.02 0.00 0.00 176.95 177.08 1bjm s LYS 153 N -0.91 1.31 -0.22 4.98 3.01 -1.11 0.38 119.74 127.17 1bjm s LYS 153 Ca 0.10 -1.62 -0.03 0.00 -1.01 0.00 0.00 55.97 53.41 1bjm s LYS 153 Cb -0.09 -0.87 0.07 0.00 -1.01 0.00 0.00 37.83 35.93 1bjm s LYS 153 CO 0.01 0.05 0.08 0.00 0.51 0.00 0.00 175.35 175.99 1bjm s ALA 154 N -3.19 0.86 -1.33 5.17 0.00 0.46 -2.33 121.76 121.41 1bjm s ALA 154 Ca 0.24 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1bjm s ALA 154 Cb 0.03 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1bjm s ALA 154 CO 0.07 -1.34 0.83 -0.25 0.00 0.00 0.00 175.76 175.07 1bjm n ASP 155 N 5.12 -2.23 -1.82 0.00 8.00 -1.06 -2.00 116.55 122.56 1bjm n ASP 155 Ca -0.07 -0.76 -0.13 0.00 0.71 0.00 0.00 54.79 54.54 1bjm n ASP 155 Cb 0.46 -4.29 0.02 0.00 -0.02 0.00 0.00 41.12 37.28 1bjm n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bjm n GLY 156 N -1.54 -0.08 3.00 0.44 0.00 -1.26 -5.03 105.19 100.71 1bjm n GLY 156 Ca -0.22 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 1bjm n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bjm s SER 157 N -2.72 1.79 0.31 1.61 0.01 -0.85 -5.08 113.70 108.77 1bjm s SER 157 Ca 0.14 -0.29 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 1bjm s SER 157 Cb -0.06 -0.81 -0.13 0.00 0.21 0.00 0.00 66.02 65.23 1bjm s SER 157 CO 0.17 0.01 1.22 -0.81 0.41 0.00 0.00 173.24 174.24 1bjm n PRO 158 N 3.99 1.88 -3.93 12.44 -0.04 -1.26 -0.40 135.00 147.68 1bjm n PRO 158 Ca -0.22 0.66 -0.34 0.00 -0.04 0.00 0.00 63.50 63.56 1bjm n PRO 158 Cb 0.51 -2.19 -0.14 0.00 -0.04 0.00 0.00 33.50 31.65 1bjm n PRO 158 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bjm s VAL 159 N -0.94 2.81 -0.23 0.52 1.01 0.16 -4.78 120.40 118.94 1bjm s VAL 159 Ca 0.58 -1.69 -0.17 0.00 0.00 0.00 0.00 61.98 60.71 1bjm s VAL 159 Cb -0.62 -2.74 -0.17 0.00 0.00 0.00 0.00 36.38 32.85 1bjm s VAL 159 CO 0.60 -0.27 -0.01 0.29 0.00 0.00 0.00 175.10 175.71 1bjm n LYS 160 N 4.53 0.59 -2.14 2.72 4.76 -1.26 -4.19 118.16 123.17 1bjm n LYS 160 Ca -0.09 0.43 -0.42 0.00 -2.87 0.00 0.00 58.31 55.35 1bjm n LYS 160 Cb 0.43 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 1bjm n LYS 160 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bjm s ALA 161 N -2.44 3.62 -0.38 7.82 0.00 -1.26 -3.94 121.76 125.18 1bjm s ALA 161 Ca -0.33 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 1bjm s ALA 161 Cb 0.09 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1bjm s ALA 161 CO 0.56 -1.14 0.23 0.41 0.00 0.00 0.00 175.76 175.82 1bjm n GLY 162 N 3.85 0.46 3.24 0.00 0.00 -1.26 -4.93 105.19 106.55 1bjm n GLY 162 Ca 0.15 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1bjm n GLY 162 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bjm s VAL 163 N -2.88 1.72 0.09 1.61 -7.23 -1.25 -2.55 120.40 109.90 1bjm s VAL 163 Ca 0.11 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.35 1bjm s VAL 163 Cb -0.05 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 1bjm s VAL 163 CO 0.14 0.42 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.57 1bjm s GLU 164 N -0.68 0.96 -0.02 4.82 0.41 -1.02 -5.02 118.70 118.15 1bjm s GLU 164 Ca 0.08 -1.06 -0.00 0.00 -0.41 0.00 0.00 54.97 53.58 1bjm s GLU 164 Cb -0.08 -1.07 0.03 0.00 -1.78 0.00 0.00 34.13 31.22 1bjm s GLU 164 CO -0.00 0.24 0.03 0.99 -0.49 0.00 0.00 175.26 176.03 1bjm s THR 165 N -1.28 -0.02 0.62 3.63 2.01 -1.26 -2.04 115.64 117.31 1bjm s THR 165 Ca 0.02 0.22 -0.16 0.00 0.31 0.00 0.00 61.69 62.09 1bjm s THR 165 Cb -0.10 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 1bjm s THR 165 CO 0.03 0.11 1.09 -0.89 -0.69 0.00 0.00 174.62 174.28 1bjm s THR 166 N 1.21 3.43 -0.01 -0.82 2.01 -0.12 -4.99 115.64 116.36 1bjm s THR 166 Ca -0.07 0.70 -0.24 0.00 0.31 0.00 0.00 61.69 62.38 1bjm s THR 166 Cb -0.13 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1bjm s THR 166 CO -0.03 -0.38 0.74 -0.54 -0.69 0.00 0.00 174.62 173.72 1bjm s LYS 167 N -3.98 4.46 0.35 4.92 1.02 -1.26 -4.58 119.74 120.67 1bjm s LYS 167 Ca 0.66 0.99 -0.26 0.00 0.02 0.00 0.00 55.97 57.38 1bjm s LYS 167 Cb -0.19 -3.40 -0.12 0.00 -0.52 0.00 0.00 37.83 33.59 1bjm s LYS 167 CO 0.38 0.17 1.06 -2.30 -0.92 0.00 0.00 175.35 173.74 1bjm n PRO 168 N 3.28 1.50 -3.90 -1.68 -0.02 -1.26 -4.84 135.00 128.08 1bjm n PRO 168 Ca -0.02 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 1bjm n PRO 168 Cb 0.51 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 1bjm n PRO 168 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1bjm s SER 169 N -0.58 0.08 -0.51 2.55 1.04 0.63 -4.88 113.70 112.02 1bjm s SER 169 Ca 0.60 -0.28 -0.28 0.00 0.48 0.00 0.00 55.95 56.47 1bjm s SER 169 Cb -0.61 0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.70 1bjm s SER 169 CO 0.59 -0.33 1.35 -0.75 0.98 0.00 0.00 173.24 175.08 1bjm s LYS 170 N -1.34 3.45 0.82 4.02 2.20 -1.26 -0.05 119.74 127.57 1bjm s LYS 170 Ca -0.14 0.57 -0.09 0.00 -0.36 0.00 0.00 55.97 55.95 1bjm s LYS 170 Cb -0.08 -4.06 0.13 0.00 -1.51 0.00 0.00 37.83 32.31 1bjm s LYS 170 CO 0.01 -1.74 1.14 -0.65 -0.36 0.00 0.00 175.35 173.75 1bjm s GLN 171 N 5.16 1.44 0.00 4.03 -1.52 -0.58 -4.95 119.66 123.25 1bjm s GLN 171 Ca 0.53 -0.50 0.02 0.00 -1.95 0.00 0.00 55.36 53.46 1bjm s GLN 171 Cb -0.11 -2.07 0.09 0.00 -0.22 0.00 0.00 33.01 30.71 1bjm s GLN 171 CO 0.28 -1.78 0.82 0.45 -0.25 0.00 0.00 175.29 174.81 1bjm n SER 172 N -3.26 0.00 -0.15 5.90 2.88 -1.26 -1.60 113.62 116.12 1bjm n SER 172 Ca 0.13 0.21 0.09 0.00 -1.33 0.00 0.00 58.87 57.96 1bjm n SER 172 Cb 0.60 -0.24 -0.07 0.00 -0.75 0.00 0.00 64.21 63.75 1bjm n SER 172 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1bjm n ASN 173 N -1.24 1.23 0.00 -3.46 0.23 -1.26 -4.97 115.26 105.79 1bjm n ASN 173 Ca 0.01 -1.12 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 1bjm n ASN 173 Cb 0.01 0.82 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 1bjm n ASN 173 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1bjm n ASN 174 N -0.97 -1.09 -4.84 0.53 4.13 -0.63 -5.05 115.26 107.34 1bjm n ASN 174 Ca 0.05 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.10 1bjm n ASN 174 Cb 0.34 -0.18 -0.04 0.00 -1.54 0.00 0.00 39.78 38.36 1bjm n ASN 174 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1bjm s LYS 175 N -0.40 2.69 0.24 3.52 3.01 -1.26 -4.89 119.74 122.65 1bjm s LYS 175 Ca 0.00 -1.32 -0.04 0.00 -1.01 0.00 0.00 55.97 53.60 1bjm s LYS 175 Cb 0.00 -2.44 -0.05 0.00 -1.01 0.00 0.00 37.83 34.33 1bjm s LYS 175 CO 0.00 0.10 0.49 0.71 0.51 0.00 0.00 175.35 177.16 1bjm s TYR 176 N -2.32 3.47 0.05 3.18 1.51 -0.64 -1.53 117.35 121.08 1bjm s TYR 176 Ca 0.40 0.58 0.04 0.00 -1.01 0.00 0.00 57.07 57.08 1bjm s TYR 176 Cb -0.05 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1bjm s TYR 176 CO 0.26 0.27 -0.12 0.00 -1.11 0.00 0.00 175.55 174.85 1bjm s ALA 177 N -1.94 0.95 0.26 3.71 0.00 0.93 -2.76 121.76 122.92 1bjm s ALA 177 Ca 0.42 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 51.37 1bjm s ALA 177 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1bjm s ALA 177 CO 0.28 0.11 0.53 0.00 0.00 0.00 0.00 175.76 176.68 1bjm s ALA 178 N -1.20 -0.38 -0.15 0.00 0.00 -0.40 -0.27 121.76 119.36 1bjm s ALA 178 Ca -0.04 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1bjm s ALA 178 Cb -0.09 1.03 0.06 0.00 0.00 0.00 0.00 23.12 24.11 1bjm s ALA 178 CO 0.01 -0.89 0.60 -1.54 0.00 0.00 0.00 175.76 173.95 1bjm s SER 179 N -3.01 -0.59 -0.01 0.00 1.04 -1.26 -0.72 113.70 109.14 1bjm s SER 179 Ca 0.21 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.62 1bjm s SER 179 Cb -0.02 0.93 -0.01 0.00 0.10 0.00 0.00 66.02 67.02 1bjm s SER 179 CO 0.09 -0.36 -0.12 -0.55 0.98 0.00 0.00 173.24 173.28 1bjm s SER 180 N -0.33 1.39 0.10 7.02 0.15 -1.09 -0.94 113.70 119.99 1bjm s SER 180 Ca -0.05 -0.21 0.06 0.00 0.70 0.00 0.00 55.95 56.45 1bjm s SER 180 Cb -0.03 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1bjm s SER 180 CO 0.04 0.13 -0.16 -0.72 1.20 0.00 0.00 173.24 173.74 1bjm s TYR 181 N -0.20 1.41 -0.17 3.44 1.13 -0.86 -0.33 117.35 121.77 1bjm s TYR 181 Ca 0.03 -0.48 -0.00 0.00 -1.41 0.00 0.00 57.07 55.21 1bjm s TYR 181 Cb -0.05 -0.77 0.04 0.00 -1.10 0.00 0.00 41.96 40.08 1bjm s TYR 181 CO -0.00 0.12 -0.06 -1.17 -2.51 0.00 0.00 175.55 171.93 1bjm s LEU 182 N -2.01 1.75 -0.17 -3.49 2.96 -0.75 -2.45 118.68 114.52 1bjm s LEU 182 Ca 0.04 -0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 53.00 1bjm s LEU 182 Cb -0.08 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.61 1bjm s LEU 182 CO 0.03 -0.18 0.73 -0.44 -1.32 0.00 0.00 176.35 175.17 1bjm s SER 183 N 1.59 6.84 0.35 3.68 0.01 -1.06 -1.56 113.70 123.55 1bjm s SER 183 Ca 0.00 1.03 0.06 0.00 1.31 0.00 0.00 55.95 58.34 1bjm s SER 183 Cb -0.16 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 1bjm s SER 183 CO -0.08 -0.32 0.22 -0.76 0.41 0.00 0.00 173.24 172.71 1bjm s LEU 184 N 1.94 1.79 -0.00 2.44 1.02 0.22 -4.93 118.68 121.15 1bjm s LEU 184 Ca 0.34 -1.71 -0.02 0.00 0.02 0.00 0.00 54.13 52.76 1bjm s LEU 184 Cb -0.16 0.32 -0.04 0.00 0.02 0.00 0.00 46.19 46.33 1bjm s LEU 184 CO 0.12 -1.01 0.14 0.42 0.02 0.00 0.00 176.35 176.05 1bjm s THR 185 N -3.41 5.15 -0.71 5.49 -4.23 -1.26 -2.67 115.64 114.00 1bjm s THR 185 Ca 0.35 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1bjm s THR 185 Cb 0.03 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1bjm s THR 185 CO 0.22 0.32 0.78 -2.65 -0.54 0.00 0.00 174.62 172.76 1bjm n PRO 186 N 1.00 0.00 -0.00 3.99 -0.02 -1.26 -0.27 135.00 138.44 1bjm n PRO 186 Ca -0.11 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1bjm n PRO 186 Cb 0.53 -1.66 -0.01 0.00 -0.02 0.00 0.00 33.50 32.34 1bjm n PRO 186 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1bjm n GLU 187 N -1.28 0.66 0.23 -0.52 0.00 -1.26 -3.86 120.64 114.60 1bjm n GLU 187 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 57.16 57.22 1bjm n GLU 187 Cb 0.16 -1.03 0.54 0.00 0.00 0.00 0.00 31.44 31.11 1bjm n GLU 187 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1bjm h GLN 188 N 0.00 0.00 0.28 3.44 4.15 -1.03 -1.79 115.11 120.16 1bjm h GLN 188 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1bjm h GLN 188 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1bjm h GLN 188 CO 0.00 0.20 -0.14 2.35 -1.93 0.00 0.00 178.83 179.32 1bjm h TRP 189 N 0.00 -0.35 0.00 3.99 2.91 -1.49 -3.35 115.95 117.65 1bjm h TRP 189 Ca -0.00 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1bjm h TRP 189 Cb 0.40 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.16 1bjm h TRP 189 CO 0.00 -0.03 0.00 1.63 -1.03 0.00 0.00 178.44 179.01 1bjm n LYS 190 N -5.04 0.42 0.00 2.65 5.02 -1.14 -3.46 118.16 116.61 1bjm n LYS 190 Ca -0.08 0.06 0.13 0.00 -2.02 0.00 0.00 58.31 56.40 1bjm n LYS 190 Cb 0.25 -1.50 0.37 0.00 -0.02 0.00 0.00 35.03 34.13 1bjm n LYS 190 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bjm n SER 191 N -1.22 0.50 -4.57 4.39 3.41 -0.68 -4.87 113.62 110.57 1bjm n SER 191 Ca 0.12 -0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 58.16 1bjm n SER 191 Cb 0.16 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 1bjm n SER 191 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1bjm s HIS 192 N -2.86 2.76 0.19 7.33 3.76 -1.22 -5.05 115.29 120.20 1bjm s HIS 192 Ca 0.16 -0.14 0.11 0.00 -0.15 0.00 0.00 55.06 55.04 1bjm s HIS 192 Cb 0.18 -1.47 0.27 0.00 1.11 0.00 0.00 32.58 32.67 1bjm s HIS 192 CO 0.62 0.40 1.55 0.00 -0.85 0.00 0.00 174.74 176.46 1bjm h ARG 193 N 3.86 0.00 -1.23 1.40 3.08 -1.89 -3.44 114.38 116.15 1bjm h ARG 193 Ca -0.49 0.00 0.34 0.00 0.07 0.00 0.00 59.98 59.90 1bjm h ARG 193 Cb 1.17 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.06 1bjm h ARG 193 CO 0.52 0.66 0.91 -1.54 -1.07 0.00 0.00 179.97 179.45 1bjm s SER 194 N -6.72 -0.04 -0.01 7.04 1.04 -1.26 -4.43 113.70 109.31 1bjm s SER 194 Ca -0.00 -0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.43 1bjm s SER 194 Cb 0.11 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 1bjm s SER 194 CO 0.76 -0.14 -0.17 -0.31 0.98 0.00 0.00 173.24 174.36 1bjm s TYR 195 N -2.22 1.48 0.08 5.02 2.02 0.21 -2.58 117.35 121.37 1bjm s TYR 195 Ca 0.13 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.59 1bjm s TYR 195 Cb 0.04 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1bjm s TYR 195 CO -0.05 -0.02 -0.13 -1.54 -1.57 0.00 0.00 175.55 172.24 1bjm s SER 196 N -0.45 1.61 -0.12 2.29 1.04 -0.98 0.29 113.70 117.38 1bjm s SER 196 Ca 0.06 -0.66 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 1bjm s SER 196 Cb -0.06 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1bjm s SER 196 CO -0.00 -0.12 -0.05 0.00 0.98 0.00 0.00 173.24 174.05 1bjm s GLN 198 N -0.12 2.47 -0.21 0.00 0.74 0.15 -0.47 119.66 122.22 1bjm s GLN 198 Ca 0.02 -0.87 -0.04 0.00 0.05 0.00 0.00 55.36 54.52 1bjm s GLN 198 Cb -0.13 -2.50 -0.01 0.00 1.10 0.00 0.00 33.01 31.47 1bjm s GLN 198 CO 0.03 -0.34 -0.04 0.08 -0.55 0.00 0.00 175.29 174.47 1bjm s VAL 199 N 1.32 3.43 -0.20 1.34 1.01 0.21 -0.98 120.40 126.53 1bjm s VAL 199 Ca 0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1bjm s VAL 199 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1bjm s VAL 199 CO -0.10 0.43 0.09 -0.89 0.00 0.00 0.00 175.10 174.63 1bjm s THR 200 N 1.35 5.01 -0.30 3.92 2.01 0.14 -0.98 115.64 126.80 1bjm s THR 200 Ca 0.04 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 1bjm s THR 200 Cb -0.14 -3.28 0.13 0.00 0.01 0.00 0.00 72.50 69.22 1bjm s THR 200 CO -0.02 0.43 0.28 -2.28 -0.69 0.00 0.00 174.62 172.34 1bjm s HIS 201 N 0.53 -0.31 -0.55 4.92 2.46 0.26 -2.00 115.29 120.60 1bjm s HIS 201 Ca 0.05 -0.37 -0.18 0.00 0.47 0.00 0.00 55.06 55.03 1bjm s HIS 201 Cb -0.12 -0.53 0.03 0.00 -0.13 0.00 0.00 32.58 31.82 1bjm s HIS 201 CO 0.00 -0.91 0.56 -1.91 -2.47 0.00 0.00 174.74 170.01 1bjm n GLU 202 N 5.18 -1.53 0.00 2.88 4.07 -1.26 -2.61 120.64 127.38 1bjm n GLU 202 Ca -0.01 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 1bjm n GLU 202 Cb 0.45 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 1bjm n GLU 202 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bjm n GLY 203 N -0.80 2.35 3.79 8.31 0.00 -1.26 -5.00 105.19 112.58 1bjm n GLY 203 Ca -0.18 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1bjm n GLY 203 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bjm s SER 204 N 0.00 6.76 -0.12 1.61 1.04 -1.07 -5.07 113.70 116.85 1bjm s SER 204 Ca 0.00 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 1bjm s SER 204 Cb 0.00 -2.26 0.03 0.00 0.10 0.00 0.00 66.02 63.89 1bjm s SER 204 CO 0.00 0.21 -0.03 -0.89 0.98 0.00 0.00 173.24 173.51 1bjm s THR 205 N -0.46 0.75 -0.06 2.02 2.01 -1.25 0.88 115.64 119.53 1bjm s THR 205 Ca 0.24 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.06 1bjm s THR 205 Cb -0.16 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1bjm s THR 205 CO 0.12 0.22 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.38 1bjm s VAL 206 N 1.81 2.53 -0.06 3.82 1.01 -0.15 -4.97 120.40 124.39 1bjm s VAL 206 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1bjm s VAL 206 Cb -0.13 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1bjm s VAL 206 CO -0.07 0.57 -0.03 -0.70 0.00 0.00 0.00 175.10 174.87 1bjm s GLU 207 N -0.34 0.81 -0.02 2.72 2.12 -1.26 0.66 118.70 123.39 1bjm s GLU 207 Ca 0.02 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.35 1bjm s GLU 207 Cb -0.12 -0.95 -0.03 0.00 0.26 0.00 0.00 34.13 33.29 1bjm s GLU 207 CO 0.02 -0.18 -0.13 0.15 -0.54 0.00 0.00 175.26 174.58 1bjm s LYS 208 N 1.36 2.43 0.17 4.30 -0.14 0.38 -4.93 119.74 123.32 1bjm s LYS 208 Ca -0.04 -0.75 0.09 0.00 -1.36 0.00 0.00 55.97 53.91 1bjm s LYS 208 Cb -0.13 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.60 1bjm s LYS 208 CO -0.03 0.60 -0.19 0.99 -0.76 0.00 0.00 175.35 175.97 1bjm s THR 209 N -0.83 1.94 -0.13 2.17 2.01 -1.26 0.21 115.64 119.75 1bjm s THR 209 Ca 0.13 -1.96 -0.18 0.00 0.31 0.00 0.00 61.69 60.00 1bjm s THR 209 Cb -0.11 -1.91 0.04 0.00 0.01 0.00 0.00 72.50 70.54 1bjm s THR 209 CO 0.03 -0.28 0.46 0.54 -0.69 0.00 0.00 174.62 174.67 1bjm s VAL 210 N -1.99 0.01 0.09 3.82 0.11 0.15 -4.96 120.40 117.63 1bjm s VAL 210 Ca 0.17 -0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.22 1bjm s VAL 210 Cb -0.06 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1bjm s VAL 210 CO 0.07 -0.06 -0.26 0.00 -3.33 0.00 0.00 175.10 171.53 1bjm s ALA 211 N -0.25 2.27 -0.68 1.54 0.00 -1.26 0.66 121.76 124.04 1bjm s ALA 211 Ca -0.04 -1.35 -0.26 0.00 0.00 0.00 0.00 51.96 50.31 1bjm s ALA 211 Cb -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 1bjm s ALA 211 CO 0.02 0.52 2.10 -2.14 0.00 0.00 0.00 175.76 176.27 1bjm s PRO 212 N -1.65 2.31 0.00 0.00 0.02 -1.26 -4.70 135.00 129.72 1bjm s PRO 212 Ca 0.12 0.59 0.00 0.00 0.02 0.00 0.00 61.00 61.73 1bjm s PRO 212 Cb -0.10 -4.65 0.00 0.00 0.02 0.00 0.00 34.50 29.77 1bjm s PRO 212 CO 0.04 -3.29 0.11 0.25 -0.33 0.00 0.00 177.00 173.78 1bjm n THR 213 N 7.80 0.00 -1.54 0.99 -2.24 -1.26 -4.84 114.28 113.19 1bjm n THR 213 Ca 0.33 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 1bjm n THR 213 Cb 0.50 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.65 1bjm n THR 213 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bjm n GLU 214 N -0.74 0.55 -1.96 -0.78 -0.58 -1.26 -1.78 120.64 114.08 1bjm n GLU 214 Ca 0.00 -0.44 -0.21 0.00 -0.42 0.00 0.00 57.16 56.09 1bjm n GLU 214 Cb 0.00 -3.03 -0.05 0.00 -0.57 0.00 0.00 31.44 27.78 1bjm n GLU 214 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65