#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjm s ALA 2 N 0.00 3.66 -0.15 1.69 0.00 -1.26 -4.94 121.76 120.76 2bjm s ALA 2 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 2bjm s ALA 2 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2bjm s ALA 2 CO 0.00 -1.11 -0.05 0.08 0.00 0.00 0.00 175.76 174.68 2bjm s VAL 3 N 3.34 3.77 -0.18 0.00 1.01 -1.26 -4.98 120.40 122.09 2bjm s VAL 3 Ca 0.51 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 2bjm s VAL 3 Cb -0.20 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2bjm s VAL 3 CO 0.12 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 175.09 2bjm s VAL 4 N 0.37 4.78 -0.14 2.92 1.01 -1.26 -1.61 120.40 126.47 2bjm s VAL 4 Ca -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2bjm s VAL 4 Cb -0.14 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.09 2bjm s VAL 4 CO 0.03 0.46 -0.20 -0.89 0.00 0.00 0.00 175.10 174.50 2bjm s THR 5 N 0.36 2.25 0.21 3.92 2.01 -0.84 -4.34 115.64 119.21 2bjm s THR 5 Ca 0.03 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2bjm s THR 5 Cb -0.12 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 2bjm s THR 5 CO 0.00 0.54 -0.05 0.00 -0.69 0.00 0.00 174.62 174.42 2bjm s GLN 6 N 0.78 1.28 0.69 4.92 -2.07 -1.26 -0.96 119.66 123.04 2bjm s GLN 6 Ca -0.07 -1.62 -0.16 0.00 -1.82 0.00 0.00 55.36 51.69 2bjm s GLN 6 Cb -0.16 -0.71 0.02 0.00 -1.09 0.00 0.00 33.01 31.08 2bjm s GLN 6 CO -0.01 -0.02 1.22 -1.21 -1.32 0.00 0.00 175.29 173.96 2bjm s GLU 7 N -3.80 2.35 0.05 9.60 8.01 -1.26 -4.86 118.70 128.79 2bjm s GLU 7 Ca 0.25 1.81 -0.06 0.00 0.01 0.00 0.00 54.97 56.98 2bjm s GLU 7 Cb 0.04 -1.85 -0.30 0.00 -4.31 0.00 0.00 34.13 27.71 2bjm s GLU 7 CO 0.07 -1.69 1.04 1.03 0.01 0.00 0.00 175.26 175.72 2bjm h SER 8 N 0.03 0.50 -3.98 -0.19 0.87 -1.95 -3.32 113.55 105.51 2bjm h SER 8 Ca -0.49 -0.57 -0.01 0.00 -1.23 0.00 0.00 61.79 59.49 2bjm h SER 8 Cb 1.30 -0.16 -0.22 0.00 -0.44 0.00 0.00 62.40 62.88 2bjm h SER 8 CO 0.51 1.45 0.25 0.00 -0.53 0.00 0.00 176.83 178.51 2bjm s ALA 9 N -2.63 -1.84 -0.05 6.23 0.00 -1.26 -1.66 121.76 120.55 2bjm s ALA 9 Ca -0.06 1.84 0.03 0.00 0.00 0.00 0.00 51.96 53.77 2bjm s ALA 9 Cb 0.06 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2bjm s ALA 9 CO 0.89 -0.32 -0.13 -0.51 0.00 0.00 0.00 175.76 175.69 2bjm s LEU 10 N -0.03 1.73 -0.07 0.00 1.43 -0.52 -4.95 118.68 116.26 2bjm s LEU 10 Ca -0.01 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 2bjm s LEU 10 Cb -0.04 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 2bjm s LEU 10 CO 0.01 0.06 0.24 -0.89 0.23 0.00 0.00 176.35 176.00 2bjm s THR 11 N 0.46 5.33 0.24 5.49 2.01 -1.26 -1.05 115.64 126.85 2bjm s THR 11 Ca -0.11 0.44 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 2bjm s THR 11 Cb -0.14 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2bjm s THR 11 CO 0.03 0.60 0.26 0.28 -0.69 0.00 0.00 174.62 175.10 2bjm s THR 12 N -1.06 0.00 0.18 -0.82 -1.32 0.33 -4.92 115.64 108.03 2bjm s THR 12 Ca 0.19 -1.83 0.08 0.00 -1.21 0.00 0.00 61.69 58.92 2bjm s THR 12 Cb -0.14 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 2bjm s THR 12 CO 0.08 0.00 -0.07 -0.44 -2.21 0.00 0.00 174.62 171.98 2bjm s SER 13 N -3.16 4.39 0.24 8.08 0.01 -1.26 -0.52 113.70 121.48 2bjm s SER 13 Ca 0.35 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 2bjm s SER 13 Cb 0.04 -0.80 -0.09 0.00 0.21 0.00 0.00 66.02 65.38 2bjm s SER 13 CO 0.14 0.10 1.34 -2.84 0.41 0.00 0.00 173.24 172.39 2bjm s PRO 14 N -2.87 4.35 0.00 12.44 0.02 -1.26 -2.41 135.00 145.27 2bjm s PRO 14 Ca 0.26 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2bjm s PRO 14 Cb -0.09 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2bjm s PRO 14 CO 0.16 -0.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 2bjm n GLY 15 N 1.98 1.29 3.94 0.52 0.00 0.11 -4.86 105.19 108.17 2bjm n GLY 15 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2bjm n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bjm s GLU 16 N -0.42 3.48 -0.17 1.61 0.41 -1.01 -4.26 118.70 118.34 2bjm s GLU 16 Ca 0.00 -0.47 -0.07 0.00 -0.41 0.00 0.00 54.97 54.02 2bjm s GLU 16 Cb 0.00 -2.89 -0.04 0.00 -1.78 0.00 0.00 34.13 29.42 2bjm s GLU 16 CO 0.00 0.45 0.05 0.99 -0.49 0.00 0.00 175.26 176.26 2bjm s THR 17 N -1.83 4.68 0.09 3.63 2.01 -1.26 -1.72 115.64 121.24 2bjm s THR 17 Ca 0.36 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.37 2bjm s THR 17 Cb -0.11 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2bjm s THR 17 CO 0.29 0.48 -0.21 0.54 -0.69 0.00 0.00 174.62 175.03 2bjm s VAL 18 N 0.20 1.70 -0.05 3.82 0.11 -0.75 -4.98 120.40 120.45 2bjm s VAL 18 Ca 0.03 -1.47 0.05 0.00 -2.93 0.00 0.00 61.98 57.67 2bjm s VAL 18 Cb -0.12 -1.53 -0.00 0.00 -1.53 0.00 0.00 36.38 33.19 2bjm s VAL 18 CO 0.01 0.00 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.70 2bjm s THR 19 N -1.08 1.60 -0.14 5.04 2.01 -1.26 -0.86 115.64 120.96 2bjm s THR 19 Ca 0.07 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 2bjm s THR 19 Cb -0.10 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 2bjm s THR 19 CO 0.04 0.46 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.53 2bjm s LEU 20 N 0.01 2.67 0.31 4.42 1.02 0.12 -4.96 118.68 122.27 2bjm s LEU 20 Ca -0.04 -0.36 0.08 0.00 0.02 0.00 0.00 54.13 53.82 2bjm s LEU 20 Cb -0.12 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 2bjm s LEU 20 CO 0.03 0.14 0.20 0.42 0.02 0.00 0.00 176.35 177.16 2bjm s THR 21 N 0.48 3.63 -0.24 5.49 -4.23 -1.26 -0.06 115.64 119.45 2bjm s THR 21 Ca -0.09 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 58.87 2bjm s THR 21 Cb -0.16 -3.15 0.13 0.00 1.34 0.00 0.00 72.50 70.66 2bjm s THR 21 CO 0.04 -0.24 0.40 0.00 -0.54 0.00 0.00 174.62 174.29 2bjm s ARG 23 N 2.58 2.76 0.02 0.00 1.70 -0.13 -1.62 118.95 124.26 2bjm s ARG 23 Ca 0.10 -0.71 -0.16 0.00 -0.47 0.00 0.00 55.73 54.50 2bjm s ARG 23 Cb -0.15 -2.66 -0.06 0.00 -0.57 0.00 0.00 34.95 31.51 2bjm s ARG 23 CO -0.15 0.58 0.45 0.45 -1.08 0.00 0.00 175.30 175.54 2bjm s SER 24 N -2.14 6.86 0.16 -2.89 0.15 -1.26 -1.99 113.70 112.59 2bjm s SER 24 Ca 0.26 1.03 0.26 0.00 0.70 0.00 0.00 55.95 58.20 2bjm s SER 24 Cb -0.12 -2.27 0.80 0.00 -1.71 0.00 0.00 66.02 62.72 2bjm s SER 24 CO 0.18 0.30 1.73 -1.54 1.20 0.00 0.00 173.24 175.10 2bjm n SER 25 N 1.73 0.66 0.01 5.45 3.41 -0.63 -3.65 113.62 120.59 2bjm n SER 25 Ca -0.13 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.08 2bjm n SER 25 Cb 0.52 -0.58 0.36 0.00 -0.26 0.00 0.00 64.21 64.26 2bjm n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bjm n THR 26 N -2.09 0.05 0.00 6.66 -2.24 -1.26 -4.93 114.28 110.46 2bjm n THR 26 Ca 0.05 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2bjm n THR 26 Cb 0.41 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2bjm n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bjm n GLY 27 N 1.48 0.30 3.77 3.38 0.00 -1.24 -5.10 105.19 107.78 2bjm n GLY 27 Ca 0.06 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 2bjm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjm s ALA 28 N -1.00 3.25 -0.09 4.61 0.00 -1.26 -4.11 121.76 123.16 2bjm s ALA 28 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 2bjm s ALA 28 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2bjm s ALA 28 CO 0.00 -0.09 1.26 0.08 0.00 0.00 0.00 175.76 177.02 2bjm s VAL 29 N -1.42 4.18 0.45 0.00 1.01 -0.02 -4.88 120.40 119.72 2bjm s VAL 29 Ca 0.50 1.48 0.03 0.00 0.00 0.00 0.00 61.98 63.99 2bjm s VAL 29 Cb -0.26 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2bjm s VAL 29 CO 0.32 -0.06 0.03 0.42 0.00 0.00 0.00 175.10 175.81 2bjm s THR 30 N 2.79 1.33 -1.00 3.92 -4.23 -1.26 -4.66 115.64 112.53 2bjm s THR 30 Ca 0.57 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.29 2bjm s THR 30 Cb -0.25 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.28 2bjm s THR 30 CO 0.20 0.00 1.66 0.35 -0.54 0.00 0.00 174.62 176.29 2bjm n THR 31 N -1.08 0.58 0.60 3.99 -2.24 -1.26 -0.95 114.28 113.92 2bjm n THR 31 Ca -0.12 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 2bjm n THR 31 Cb 0.67 -0.79 0.46 0.00 -2.10 0.00 0.00 70.33 68.56 2bjm n THR 31 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2bjm n SER 32 N -1.50 0.46 0.16 3.42 3.41 -1.26 -2.87 113.62 115.43 2bjm n SER 32 Ca 0.05 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 2bjm n SER 32 Cb 0.24 -0.69 0.18 0.00 -0.26 0.00 0.00 64.21 63.68 2bjm n SER 32 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2bjm h ASN 33 N 0.00 0.00 -6.69 4.04 -0.26 -1.21 -3.44 115.58 108.01 2bjm h ASN 33 Ca 0.00 -0.02 -0.52 0.00 -0.56 0.00 0.00 56.30 55.20 2bjm h ASN 33 Cb 0.48 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.75 2bjm h ASN 33 CO 0.00 0.01 -0.98 -1.22 -1.06 0.00 0.00 177.43 174.18 2bjm n TYR 34 N -2.75 -1.71 -1.66 1.19 4.02 -1.14 -0.52 117.16 114.59 2bjm n TYR 34 Ca 0.03 0.37 -0.54 0.00 -0.01 0.00 0.00 57.90 57.76 2bjm n TYR 34 Cb 0.51 -2.96 -0.06 0.00 -0.02 0.00 0.00 39.34 36.81 2bjm n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bjm n ALA 35 N -4.16 -0.24 -2.72 -0.72 0.00 -1.26 -3.36 120.51 108.05 2bjm n ALA 35 Ca -0.15 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 2bjm n ALA 35 Cb 0.60 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.74 2bjm n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2bjm s ASN 36 N 2.38 5.29 -0.16 0.00 0.01 0.09 -1.35 114.94 121.21 2bjm s ASN 36 Ca 0.92 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 53.21 2bjm s ASN 36 Cb -0.96 -1.56 0.03 0.00 0.41 0.00 0.00 41.25 39.17 2bjm s ASN 36 CO 0.56 0.35 -0.11 0.26 -1.51 0.00 0.00 177.10 176.65 2bjm s TRP 37 N -0.73 2.09 -0.17 2.20 0.52 0.38 -1.38 118.94 121.85 2bjm s TRP 37 Ca 0.12 -1.25 0.00 0.00 0.02 0.00 0.00 56.10 54.99 2bjm s TRP 37 Cb -0.12 -1.53 0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2bjm s TRP 37 CO 0.02 -0.67 -0.09 0.54 0.02 0.00 0.00 176.95 176.77 2bjm s VAL 38 N 1.51 1.39 0.06 4.03 0.11 -0.71 -0.18 120.40 126.61 2bjm s VAL 38 Ca 0.03 -0.72 -0.31 0.00 -2.93 0.00 0.00 61.98 58.05 2bjm s VAL 38 Cb -0.14 -1.45 -0.06 0.00 -1.53 0.00 0.00 36.38 33.20 2bjm s VAL 38 CO -0.09 0.25 1.25 -1.58 -3.33 0.00 0.00 175.10 171.59 2bjm s GLN 39 N 1.53 4.39 -0.14 1.54 0.74 -0.27 -1.74 119.66 125.71 2bjm s GLN 39 Ca 0.02 1.83 0.00 0.00 0.05 0.00 0.00 55.36 57.25 2bjm s GLN 39 Cb -0.15 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.59 2bjm s GLN 39 CO -0.09 -0.33 -0.14 -2.00 -0.55 0.00 0.00 175.29 172.18 2bjm s GLU 40 N 1.27 3.29 0.26 1.67 2.12 0.22 -0.52 118.70 127.01 2bjm s GLU 40 Ca 0.60 -0.72 0.09 0.00 0.36 0.00 0.00 54.97 55.30 2bjm s GLU 40 Cb -0.30 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2bjm s GLU 40 CO 0.29 0.10 0.04 0.15 -0.54 0.00 0.00 175.26 175.30 2bjm s LYS 41 N 0.62 2.45 0.28 4.30 1.02 -0.76 -0.22 119.74 127.42 2bjm s LYS 41 Ca -0.08 -1.31 -0.16 0.00 0.02 0.00 0.00 55.97 54.44 2bjm s LYS 41 Cb -0.16 -2.27 -0.11 0.00 -0.52 0.00 0.00 37.83 34.78 2bjm s LYS 41 CO 0.03 0.38 0.08 -2.30 -0.92 0.00 0.00 175.35 172.62 2bjm n PRO 42 N -0.91 0.00 -2.96 -1.68 -0.02 -1.26 -2.74 135.00 125.42 2bjm n PRO 42 Ca -0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 2bjm n PRO 42 Cb 0.58 -0.72 0.06 0.00 -0.02 0.00 0.00 33.50 33.40 2bjm n PRO 42 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bjm n ASP 43 N 1.66 -2.44 -4.19 2.55 4.64 -1.26 -4.18 116.55 113.33 2bjm n ASP 43 Ca 0.08 -0.39 -0.36 0.00 -1.38 0.00 0.00 54.79 52.74 2bjm n ASP 43 Cb 0.28 -3.46 -0.03 0.00 -1.04 0.00 0.00 41.12 36.87 2bjm n ASP 43 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 2bjm n HIS 44 N -3.17 -1.71 -3.37 -0.67 8.25 -1.24 -4.92 115.22 108.39 2bjm n HIS 44 Ca -0.16 0.77 -0.43 0.00 -0.26 0.00 0.00 57.72 57.64 2bjm n HIS 44 Cb 0.60 -2.85 -0.09 0.00 1.12 0.00 0.00 29.99 28.77 2bjm n HIS 44 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2bjm s LEU 45 N -7.21 4.92 -0.15 2.41 2.96 -1.11 -5.02 118.68 115.48 2bjm s LEU 45 Ca 0.74 -0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 53.86 2bjm s LEU 45 Cb -0.40 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 2bjm s LEU 45 CO 0.90 -0.52 0.07 -0.36 -1.32 0.00 0.00 176.35 175.12 2bjm s PHE 46 N 1.98 3.31 -0.10 5.38 0.40 -1.26 -1.83 117.98 125.86 2bjm s PHE 46 Ca 0.10 0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 2bjm s PHE 46 Cb -0.18 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.40 2bjm s PHE 46 CO 0.12 0.36 -0.03 0.99 0.70 0.00 0.00 175.22 177.37 2bjm s THR 47 N -0.24 0.67 -0.07 0.64 2.01 0.32 -5.01 115.64 113.97 2bjm s THR 47 Ca 0.08 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2bjm s THR 47 Cb -0.12 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 2bjm s THR 47 CO 0.01 0.26 1.60 -0.83 -0.69 0.00 0.00 174.62 174.97 2bjm s GLY 48 N 1.85 1.55 -0.25 4.40 0.00 -1.26 -1.11 107.32 112.49 2bjm s GLY 48 Ca 0.04 0.88 -0.15 0.00 0.00 0.00 0.00 44.72 45.49 2bjm s GLY 48 CO -0.07 2.96 -0.16 1.04 0.00 0.00 0.00 173.10 176.87 2bjm n LEU 49 N 7.03 2.00 -3.82 0.66 4.77 0.75 -4.65 117.00 123.73 2bjm n LEU 49 Ca 0.17 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 2bjm n LEU 49 Cb 0.43 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.49 2bjm n LEU 49 CO 0.62 0.52 -0.36 -0.63 -1.33 0.00 0.00 177.39 176.21 2bjm s ILE 50 N -2.47 -0.02 0.22 -0.08 1.01 -0.87 -1.63 121.20 117.37 2bjm s ILE 50 Ca -0.35 0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.49 2bjm s ILE 50 Cb 0.12 -0.05 -0.05 0.00 0.01 0.00 0.00 42.46 42.49 2bjm s ILE 50 CO 0.53 0.04 -0.18 -0.83 0.00 0.00 0.00 174.94 174.51 2bjm s GLY 51 N 0.51 1.59 -1.15 6.18 0.00 -0.26 -0.47 107.32 113.72 2bjm s GLY 51 Ca -0.04 -1.70 -0.16 0.00 0.00 0.00 0.00 44.72 42.81 2bjm s GLY 51 CO -0.01 -1.79 0.79 0.61 0.00 0.00 0.00 173.10 172.70 2bjm n GLY 52 N -0.31 -0.94 5.00 0.20 0.00 -1.16 -1.60 105.19 106.38 2bjm n GLY 52 Ca -0.08 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2bjm n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bjm n THR 53 N -4.06 0.00 -0.88 2.61 -2.24 -0.46 -3.89 114.28 105.37 2bjm n THR 53 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2bjm n THR 53 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2bjm n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2bjm n ASN 54 N 1.41 0.42 -4.60 3.42 6.94 -1.23 -3.49 115.26 118.14 2bjm n ASN 54 Ca 0.00 -1.30 -0.39 0.00 -0.02 0.00 0.00 54.58 52.87 2bjm n ASN 54 Cb 0.00 -0.02 -0.09 0.00 -2.36 0.00 0.00 39.78 37.30 2bjm n ASN 54 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2bjm s ASN 55 N -0.31 6.21 0.21 0.53 3.04 -0.63 -4.61 114.94 119.38 2bjm s ASN 55 Ca 0.01 0.23 -0.30 0.00 0.04 0.00 0.00 52.86 52.84 2bjm s ASN 55 Cb 0.01 -2.19 -0.08 0.00 -1.54 0.00 0.00 41.25 37.44 2bjm s ASN 55 CO 0.00 -0.15 0.99 -0.13 -3.04 0.00 0.00 177.10 174.77 2bjm s ARG 56 N 1.98 4.76 0.68 0.43 0.52 -1.26 -1.10 118.95 124.97 2bjm s ARG 56 Ca 0.13 1.56 -0.16 0.00 -0.52 0.00 0.00 55.73 56.74 2bjm s ARG 56 Cb -0.16 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.04 2bjm s ARG 56 CO 0.10 0.36 1.20 0.00 0.02 0.00 0.00 175.30 176.98 2bjm s ALA 57 N -0.84 2.28 -0.02 2.13 0.00 -0.64 -4.90 121.76 119.76 2bjm s ALA 57 Ca 0.44 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 2bjm s ALA 57 Cb -0.27 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 2bjm s ALA 57 CO 0.33 -1.62 2.00 -2.14 0.00 0.00 0.00 175.76 174.33 2bjm s PRO 58 N -3.76 3.93 0.00 0.00 0.02 -1.26 -2.20 135.00 131.74 2bjm s PRO 58 Ca 0.75 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.22 2bjm s PRO 58 Cb -0.29 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.03 2bjm s PRO 58 CO 0.42 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 2bjm n GLY 59 N 4.78 0.74 3.70 0.52 0.00 -1.26 -5.04 105.19 108.63 2bjm n GLY 59 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2bjm n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bjm s VAL 60 N -2.10 3.91 0.87 1.61 1.01 -0.93 -5.01 120.40 119.76 2bjm s VAL 60 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 2bjm s VAL 60 Cb 0.00 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.66 2bjm s VAL 60 CO 0.00 0.04 1.17 -2.84 0.00 0.00 0.00 175.10 173.47 2bjm s PRO 61 N 1.82 1.26 0.00 2.72 0.02 -1.26 -4.88 135.00 134.69 2bjm s PRO 61 Ca 0.60 1.61 0.16 0.00 0.02 0.00 0.00 61.00 63.40 2bjm s PRO 61 Cb -0.30 -1.75 0.91 0.00 0.02 0.00 0.00 34.50 33.39 2bjm s PRO 61 CO 0.26 -2.46 1.43 0.00 -0.33 0.00 0.00 177.00 175.90 2bjm n ALA 62 N -3.89 2.01 0.18 -1.55 0.00 -1.26 -2.67 120.51 113.33 2bjm n ALA 62 Ca 0.12 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.50 2bjm n ALA 62 Cb 0.52 -1.27 0.32 0.00 0.00 0.00 0.00 19.45 19.02 2bjm n ALA 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2bjm h ARG 63 N 0.00 0.00 -5.88 0.00 0.11 -1.90 -3.41 114.38 103.31 2bjm h ARG 63 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 2bjm h ARG 63 Cb 0.07 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.08 2bjm h ARG 63 CO 0.00 0.43 0.02 -0.06 0.10 0.00 0.00 179.97 180.45 2bjm s PHE 64 N -3.80 3.52 -0.14 4.08 0.40 -1.09 -1.25 117.98 119.70 2bjm s PHE 64 Ca -0.01 1.08 -0.14 0.00 -0.60 0.00 0.00 56.93 57.26 2bjm s PHE 64 Cb 0.13 -2.72 0.04 0.00 0.51 0.00 0.00 43.02 40.98 2bjm s PHE 64 CO 0.71 0.08 0.39 -1.54 0.70 0.00 0.00 175.22 175.56 2bjm s SER 65 N 0.80 -0.40 0.23 1.36 1.04 -0.90 -4.93 113.70 110.89 2bjm s SER 65 Ca 0.32 0.78 0.06 0.00 0.48 0.00 0.00 55.95 57.59 2bjm s SER 65 Cb -0.16 0.79 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 2bjm s SER 65 CO 0.14 -0.14 0.20 -0.83 0.98 0.00 0.00 173.24 173.59 2bjm s GLY 66 N 0.19 1.47 0.11 7.32 0.00 -1.26 -1.41 107.32 113.74 2bjm s GLY 66 Ca -0.00 -1.35 -0.26 0.00 0.00 0.00 0.00 44.72 43.11 2bjm s GLY 66 CO 0.01 -1.39 0.88 -1.35 0.00 0.00 0.00 173.10 171.25 2bjm s SER 67 N -3.68 -0.28 -0.13 1.64 1.04 -0.45 -4.40 113.70 107.43 2bjm s SER 67 Ca 0.33 -0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.37 2bjm s SER 67 Cb -0.08 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 2bjm s SER 67 CO 0.25 -0.85 0.32 -0.76 0.98 0.00 0.00 173.24 173.19 2bjm s LEU 68 N -2.76 4.29 -0.19 2.42 1.43 -1.26 0.29 118.68 122.90 2bjm s LEU 68 Ca 0.09 0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2bjm s LEU 68 Cb -0.02 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.83 2bjm s LEU 68 CO -0.03 0.14 -0.05 -0.51 0.23 0.00 0.00 176.35 176.12 2bjm s ILE 69 N 0.19 1.25 0.00 -0.59 2.07 0.13 -4.92 121.20 119.33 2bjm s ILE 69 Ca 0.18 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.61 2bjm s ILE 69 Cb -0.14 -1.45 0.00 0.00 0.13 0.00 0.00 42.46 41.00 2bjm s ILE 69 CO 0.06 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 2bjm n GLY 70 N 4.81 3.00 0.88 1.50 0.00 -1.26 -1.38 105.19 112.74 2bjm n GLY 70 Ca -0.12 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2bjm n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bjm n ASN 71 N 10.10 3.01 -4.47 1.61 3.02 -1.26 -4.90 115.26 122.37 2bjm n ASN 71 Ca 0.00 -1.88 -0.26 0.00 -0.03 0.00 0.00 54.58 52.41 2bjm n ASN 71 Cb 0.00 -0.20 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 2bjm n ASN 71 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2bjm s LYS 72 N -1.23 1.68 0.10 3.52 1.02 -0.48 -0.84 119.74 123.51 2bjm s LYS 72 Ca 0.29 -1.55 -0.14 0.00 0.02 0.00 0.00 55.97 54.59 2bjm s LYS 72 Cb 0.17 -1.89 -0.06 0.00 -0.52 0.00 0.00 37.83 35.53 2bjm s LYS 72 CO 0.24 0.38 0.50 0.00 -0.92 0.00 0.00 175.35 175.55 2bjm s ALA 73 N -1.94 3.63 0.02 5.17 0.00 -0.64 0.18 121.76 128.18 2bjm s ALA 73 Ca 0.24 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.11 2bjm s ALA 73 Cb -0.07 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 2bjm s ALA 73 CO 0.13 0.47 -0.21 0.00 0.00 0.00 0.00 175.76 176.15 2bjm s ALA 74 N -1.33 1.78 -0.17 0.00 0.00 0.15 -1.02 121.76 121.16 2bjm s ALA 74 Ca 0.33 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 2bjm s ALA 74 Cb -0.16 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2bjm s ALA 74 CO 0.18 0.41 -0.15 -1.17 0.00 0.00 0.00 175.76 175.03 2bjm s LEU 75 N -0.96 2.45 -0.10 0.00 2.96 0.92 -1.35 118.68 122.60 2bjm s LEU 75 Ca 0.08 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2bjm s LEU 75 Cb -0.09 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2bjm s LEU 75 CO 0.01 0.04 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.04 2bjm s THR 76 N 1.07 2.92 -0.22 3.68 2.01 -0.50 0.15 115.64 124.75 2bjm s THR 76 Ca -0.01 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2bjm s THR 76 Cb -0.14 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.18 2bjm s THR 76 CO -0.04 0.55 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.71 2bjm s ILE 77 N 0.04 2.83 -0.08 1.82 1.01 -0.04 -2.12 121.20 124.66 2bjm s ILE 77 Ca -0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 2bjm s ILE 77 Cb -0.15 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 2bjm s ILE 77 CO 0.04 0.39 0.30 -0.89 0.00 0.00 0.00 174.94 174.78 2bjm s THR 78 N 1.38 5.25 -1.02 2.92 2.01 -0.38 -1.82 115.64 123.98 2bjm s THR 78 Ca 0.04 0.57 -0.10 0.00 0.31 0.00 0.00 61.69 62.51 2bjm s THR 78 Cb -0.15 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2bjm s THR 78 CO -0.07 0.54 0.82 0.61 -0.69 0.00 0.00 174.62 175.83 2bjm n GLY 79 N 2.29 -1.13 3.67 4.40 0.00 -1.22 -4.81 105.19 108.39 2bjm n GLY 79 Ca -0.15 0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 2bjm n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjm n ALA 80 N -3.30 0.84 -2.41 4.61 0.00 -0.70 -4.42 120.51 115.13 2bjm n ALA 80 Ca -0.08 0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.47 2bjm n ALA 80 Cb 0.59 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 2bjm n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2bjm s GLN 81 N -1.79 2.28 0.28 0.00 -1.52 -1.26 0.07 119.66 117.72 2bjm s GLN 81 Ca 0.56 -1.93 0.13 0.00 -1.95 0.00 0.00 55.36 52.18 2bjm s GLN 81 Cb -0.61 -2.05 0.34 0.00 -0.22 0.00 0.00 33.01 30.47 2bjm s GLN 81 CO 0.62 -0.38 1.58 1.79 -0.25 0.00 0.00 175.29 178.65 2bjm h THR 82 N 1.05 1.23 0.00 -0.19 1.35 -1.94 -2.99 112.91 111.43 2bjm h THR 82 Ca -0.40 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 2bjm h THR 82 Cb 1.28 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 2bjm h THR 82 CO 0.63 0.57 0.00 -1.84 -0.25 0.00 0.00 175.52 174.63 2bjm n GLU 83 N -3.56 0.19 0.00 4.72 0.28 -1.26 -2.81 120.64 118.20 2bjm n GLU 83 Ca -0.00 0.44 0.12 0.00 -0.16 0.00 0.00 57.16 57.56 2bjm n GLU 83 Cb 0.65 -1.87 0.55 0.00 1.43 0.00 0.00 31.44 32.20 2bjm n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2bjm n ASP 84 N -2.23 0.00 -4.60 -1.84 8.00 -1.13 -4.79 116.55 109.96 2bjm n ASP 84 Ca 0.02 0.49 -0.43 0.00 0.71 0.00 0.00 54.79 55.58 2bjm n ASP 84 Cb 0.21 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2bjm n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2bjm s GLU 85 N -2.99 3.26 0.21 -1.24 2.12 -1.12 -4.90 118.70 114.04 2bjm s GLU 85 Ca 0.13 1.52 -0.09 0.00 0.36 0.00 0.00 54.97 56.88 2bjm s GLU 85 Cb 0.17 -4.24 0.04 0.00 0.26 0.00 0.00 34.13 30.35 2bjm s GLU 85 CO 0.47 -1.95 0.48 0.00 -0.54 0.00 0.00 175.26 173.72 2bjm n ALA 86 N 10.69 -1.12 -3.05 6.30 0.00 -1.17 -4.95 120.51 127.21 2bjm n ALA 86 Ca 0.24 -0.70 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 2bjm n ALA 86 Cb 0.47 0.53 -0.12 0.00 0.00 0.00 0.00 19.45 20.33 2bjm n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bjm s ILE 87 N -2.44 4.26 -0.41 0.00 1.01 0.69 -0.54 121.20 123.76 2bjm s ILE 87 Ca 0.10 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 2bjm s ILE 87 Cb -0.03 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.35 2bjm s ILE 87 CO 0.06 0.15 0.29 -0.31 0.00 0.00 0.00 174.94 175.14 2bjm s TYR 88 N 1.57 3.25 0.11 3.97 1.51 0.16 0.71 117.35 128.63 2bjm s TYR 88 Ca 0.04 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.20 2bjm s TYR 88 Cb -0.16 -2.67 -0.06 0.00 -0.11 0.00 0.00 41.96 38.95 2bjm s TYR 88 CO 0.04 -0.65 0.46 -0.06 -1.11 0.00 0.00 175.55 174.23 2bjm s PHE 89 N 1.63 3.59 -0.12 2.71 0.08 -0.71 -0.47 117.98 124.69 2bjm s PHE 89 Ca 0.04 0.89 -0.02 0.00 0.12 0.00 0.00 56.93 57.96 2bjm s PHE 89 Cb -0.20 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2bjm s PHE 89 CO 0.08 0.48 -0.04 0.00 -0.10 0.00 0.00 175.22 175.64 2bjm s ALA 91 N -0.12 1.36 -0.05 0.00 0.00 -0.48 -0.92 121.76 121.55 2bjm s ALA 91 Ca 0.02 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2bjm s ALA 91 Cb -0.13 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 2bjm s ALA 91 CO 0.02 -0.02 -0.09 -0.51 0.00 0.00 0.00 175.76 175.17 2bjm s LEU 92 N 0.91 3.03 -0.25 0.00 1.43 -0.55 -0.73 118.68 122.52 2bjm s LEU 92 Ca -0.10 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.70 2bjm s LEU 92 Cb -0.15 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2bjm s LEU 92 CO 0.01 0.35 0.66 0.86 0.23 0.00 0.00 176.35 178.45 2bjm s TRP 93 N -0.81 3.30 -0.84 0.29 -0.11 0.33 -0.42 118.94 120.68 2bjm s TRP 93 Ca 0.13 0.88 0.01 0.00 1.22 0.00 0.00 56.10 58.34 2bjm s TRP 93 Cb -0.11 -2.87 0.23 0.00 -1.50 0.00 0.00 33.47 29.23 2bjm s TRP 93 CO 0.02 -0.32 0.83 0.66 -4.62 0.00 0.00 176.95 173.52 2bjm n TYR 94 N 5.68 3.69 0.00 5.86 4.02 0.05 -4.18 117.16 132.27 2bjm n TYR 94 Ca 0.00 -3.96 0.00 0.00 -0.01 0.00 0.00 57.90 53.94 2bjm n TYR 94 Cb 0.49 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.87 2bjm n TYR 94 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2bjm n SER 95 N 1.76 0.00 0.00 7.72 7.64 -1.26 -3.81 113.62 125.67 2bjm n SER 95 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2bjm n SER 95 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2bjm n SER 95 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2bjm n ASN 96 N 2.50 0.00 -3.69 6.43 0.23 -1.26 -5.12 115.26 114.35 2bjm n ASN 96 Ca 0.00 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.58 52.91 2bjm n ASN 96 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 2bjm n ASN 96 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 2bjm s HIS 97 N 0.00 -0.31 0.56 -2.53 -3.43 -1.25 -5.16 115.29 103.17 2bjm s HIS 97 Ca 0.00 0.48 -0.15 0.00 -0.80 0.00 0.00 55.06 54.59 2bjm s HIS 97 Cb 0.00 0.18 -0.06 0.00 -1.43 0.00 0.00 32.58 31.27 2bjm s HIS 97 CO 0.00 -0.46 1.01 -0.51 -2.00 0.00 0.00 174.74 172.78 2bjm s LEU 98 N -1.33 3.49 -0.04 5.38 1.02 -1.26 -0.77 118.68 125.17 2bjm s LEU 98 Ca -0.13 1.56 -0.00 0.00 0.02 0.00 0.00 54.13 55.59 2bjm s LEU 98 Cb -0.04 -4.50 0.03 0.00 0.02 0.00 0.00 46.19 41.70 2bjm s LEU 98 CO 0.05 -0.77 -0.00 -0.69 0.02 0.00 0.00 176.35 174.96 2bjm s VAL 99 N -2.76 0.24 0.06 -1.59 1.01 0.44 -4.89 120.40 112.91 2bjm s VAL 99 Ca 0.58 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 2bjm s VAL 99 Cb -0.11 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 2bjm s VAL 99 CO 0.39 0.18 0.31 -0.36 0.00 0.00 0.00 175.10 175.62 2bjm s PHE 100 N 1.31 3.55 0.85 5.22 0.40 -1.26 -1.48 117.98 126.56 2bjm s PHE 100 Ca -0.06 0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 56.75 2bjm s PHE 100 Cb -0.13 -2.01 0.19 0.00 0.51 0.00 0.00 43.02 41.58 2bjm s PHE 100 CO -0.02 0.55 1.16 0.41 0.70 0.00 0.00 175.22 178.02 2bjm n GLY 101 N 0.78 -0.81 0.11 4.36 0.00 -0.10 -4.48 105.19 105.06 2bjm n GLY 101 Ca -0.08 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.26 2bjm n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjm n GLY 102 N -2.91 -1.59 0.00 -0.02 0.00 -1.26 -4.71 105.19 94.69 2bjm n GLY 102 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2bjm n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjm n GLY 103 N 0.94 -0.28 3.53 -0.02 0.00 -1.26 -4.99 105.19 103.11 2bjm n GLY 103 Ca 0.05 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 2bjm n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bjm s THR 104 N -0.52 5.18 -0.12 2.61 2.01 0.39 -4.64 115.64 120.55 2bjm s THR 104 Ca 0.00 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 2bjm s THR 104 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2bjm s THR 104 CO 0.00 -0.12 1.23 -0.75 -0.69 0.00 0.00 174.62 174.29 2bjm s LYS 105 N 1.97 4.28 -0.27 4.92 2.20 -0.66 -0.66 119.74 131.52 2bjm s LYS 105 Ca 0.11 1.66 -0.08 0.00 -0.36 0.00 0.00 55.97 57.29 2bjm s LYS 105 Cb -0.17 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 2bjm s LYS 105 CO 0.12 -0.59 0.11 -1.17 -0.36 0.00 0.00 175.35 173.45 2bjm s LEU 106 N 2.94 3.71 -0.19 5.43 2.96 0.30 -1.44 118.68 132.39 2bjm s LEU 106 Ca 0.55 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 54.09 2bjm s LEU 106 Cb -0.23 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2bjm s LEU 106 CO 0.18 -0.08 0.11 -0.89 -1.32 0.00 0.00 176.35 174.35 2bjm s THR 107 N 1.63 5.26 -0.19 3.68 2.01 -0.22 -3.03 115.64 124.79 2bjm s THR 107 Ca 0.06 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 2bjm s THR 107 Cb -0.16 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 2bjm s THR 107 CO 0.05 0.46 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.69 2bjm s VAL 108 N 0.22 3.31 -0.34 3.82 1.01 -1.26 0.12 120.40 127.28 2bjm s VAL 108 Ca 0.08 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2bjm s VAL 108 Cb -0.11 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 33.90 2bjm s VAL 108 CO -0.01 0.46 0.06 -0.76 0.00 0.00 0.00 175.10 174.85 2bjm s LEU 109 N 1.01 4.78 0.00 3.92 1.43 0.33 -4.96 118.68 125.19 2bjm s LEU 109 Ca -0.00 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 50.93 2bjm s LEU 109 Cb -0.15 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.44 2bjm s LEU 109 CO -0.00 -0.38 0.03 1.21 0.23 0.00 0.00 176.35 177.43