#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbm s LEU 4 N 0.00 3.18 -0.19 7.52 1.43 -1.26 -4.45 118.68 124.91 3gbm s LEU 4 Ca 0.00 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3gbm s LEU 4 Cb 0.00 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3gbm s LEU 4 CO 0.00 0.23 -0.09 -0.89 0.23 0.00 0.00 176.35 175.83 3gbm s THR 5 N 0.00 3.12 0.21 5.49 2.01 0.73 -3.46 115.64 123.74 3gbm s THR 5 Ca -0.00 -0.59 0.11 0.00 0.31 0.00 0.00 61.69 61.52 3gbm s THR 5 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3gbm s THR 5 CO 0.03 0.47 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.11 3gbm s GLN 6 N 1.12 1.62 0.19 4.92 -0.21 -1.26 -0.52 119.66 125.53 3gbm s GLN 6 Ca 0.01 -1.53 -0.30 0.00 0.02 0.00 0.00 55.36 53.56 3gbm s GLN 6 Cb -0.14 -1.88 -0.09 0.00 1.00 0.00 0.00 33.01 31.90 3gbm s GLN 6 CO -0.02 0.39 1.33 -1.25 -2.12 0.00 0.00 175.29 173.62 3gbm s PRO 7 N -2.84 4.37 0.34 2.91 0.04 -1.26 -4.82 135.00 133.74 3gbm s PRO 7 Ca 0.23 2.08 0.13 0.00 0.04 0.00 0.00 61.00 63.48 3gbm s PRO 7 Cb -0.08 -3.19 1.09 0.00 0.04 0.00 0.00 34.50 32.36 3gbm s PRO 7 CO 0.11 -0.29 1.60 -1.35 0.04 0.00 0.00 177.00 177.11 3gbm h PRO 8 N 5.50 0.08 -3.58 0.56 0.11 -1.96 -3.37 132.00 129.33 3gbm h PRO 8 Ca -0.45 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3gbm h PRO 8 Cb 1.21 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 3gbm h PRO 8 CO 0.78 0.05 -0.05 -1.54 -0.21 0.00 0.00 178.00 177.03 3gbm s SER 9 N -4.77 0.02 -0.27 -2.05 1.04 -1.26 -0.91 113.70 105.50 3gbm s SER 9 Ca -0.10 -0.98 -0.23 0.00 0.48 0.00 0.00 55.95 55.12 3gbm s SER 9 Cb 0.31 0.63 0.07 0.00 0.10 0.00 0.00 66.02 67.14 3gbm s SER 9 CO 0.78 -1.23 0.72 -0.69 0.98 0.00 0.00 173.24 173.80 3gbm s VAL 11 N -3.75 0.00 0.18 5.02 1.01 0.11 -4.85 120.40 118.12 3gbm s VAL 11 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.31 3gbm s VAL 11 Cb -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3gbm s VAL 11 CO 0.10 0.00 -0.24 -0.94 0.00 0.00 0.00 175.10 174.02 3gbm s SER 12 N 0.65 3.34 -0.09 3.32 1.04 -1.26 -0.78 113.70 119.93 3gbm s SER 12 Ca -0.02 -0.84 -0.32 0.00 0.48 0.00 0.00 55.95 55.25 3gbm s SER 12 Cb -0.05 -0.24 0.12 0.00 0.10 0.00 0.00 66.02 65.96 3gbm s SER 12 CO -0.04 0.12 1.19 0.00 0.98 0.00 0.00 173.24 175.49 3gbm s ALA 13 N -1.57 -2.08 0.16 5.32 0.00 -1.03 -4.97 121.76 117.58 3gbm s ALA 13 Ca 0.19 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.29 3gbm s ALA 13 Cb -0.08 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3gbm s ALA 13 CO 0.09 -0.80 0.27 0.00 0.00 0.00 0.00 175.76 175.32 3gbm s ALA 14 N -2.55 3.91 0.23 0.00 0.00 -1.26 -3.67 121.76 118.43 3gbm s ALA 14 Ca 0.11 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 3gbm s ALA 14 Cb 0.01 -1.72 -0.15 0.00 0.00 0.00 0.00 23.12 21.27 3gbm s ALA 14 CO -0.04 0.50 1.15 -2.30 0.00 0.00 0.00 175.76 175.07 3gbm n PRO 15 N -0.61 1.41 0.00 0.00 -0.02 -1.26 -1.84 135.00 132.68 3gbm n PRO 15 Ca -0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3gbm n PRO 15 Cb 0.54 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3gbm n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gbm n GLY 16 N 1.70 2.64 3.76 -1.23 0.00 -0.04 -4.87 105.19 107.16 3gbm n GLY 16 Ca 0.12 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 3gbm n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gbm s GLN 17 N 0.00 2.08 -0.25 1.61 -0.21 -0.76 -2.24 119.66 119.88 3gbm s GLN 17 Ca 0.00 1.19 -0.13 0.00 0.02 0.00 0.00 55.36 56.45 3gbm s GLN 17 Cb 0.00 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 32.09 3gbm s GLN 17 CO 0.00 -1.78 0.26 0.21 -2.12 0.00 0.00 175.29 171.86 3gbm s LYS 18 N -4.88 4.04 0.20 2.91 2.20 -1.26 -2.29 119.74 120.67 3gbm s LYS 18 Ca 0.62 -0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 3gbm s LYS 18 Cb -0.18 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 3gbm s LYS 18 CO 0.56 -0.10 0.45 0.14 -0.36 0.00 0.00 175.35 176.04 3gbm s VAL 19 N 1.54 5.09 -0.02 4.02 -7.23 -0.42 -4.98 120.40 118.41 3gbm s VAL 19 Ca 0.11 0.08 0.04 0.00 -1.81 0.00 0.00 61.98 60.40 3gbm s VAL 19 Cb -0.15 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 3gbm s VAL 19 CO 0.08 -0.09 -0.14 0.42 -0.31 0.00 0.00 175.10 175.06 3gbm s THR 20 N -1.81 1.11 -0.19 5.32 -4.23 -1.26 -1.53 115.64 113.04 3gbm s THR 20 Ca 0.43 -0.58 -0.01 0.00 -1.18 0.00 0.00 61.69 60.35 3gbm s THR 20 Cb -0.11 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.80 3gbm s THR 20 CO 0.26 0.32 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.88 3gbm s ILE 21 N -0.23 2.60 0.26 2.99 1.01 0.41 -4.96 121.20 123.28 3gbm s ILE 21 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3gbm s ILE 21 Cb -0.06 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3gbm s ILE 21 CO -0.00 0.50 0.43 -0.94 0.00 0.00 0.00 174.94 174.92 3gbm s SER 22 N 1.23 6.33 -0.07 3.58 1.04 -1.26 -0.14 113.70 124.41 3gbm s SER 22 Ca 0.03 0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 3gbm s SER 22 Cb -0.14 -1.96 0.04 0.00 0.10 0.00 0.00 66.02 64.06 3gbm s SER 22 CO -0.07 -0.13 0.05 0.00 0.98 0.00 0.00 173.24 174.08 3gbm s SER 24 N 2.12 3.59 0.00 0.00 0.15 0.33 -0.25 113.70 119.65 3gbm s SER 24 Ca 0.04 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.15 3gbm s SER 24 Cb -0.13 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 3gbm s SER 24 CO -0.04 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.01 3gbm n GLY 25 N 4.63 3.28 0.00 9.45 0.00 -0.76 -0.19 105.19 121.60 3gbm n GLY 25 Ca -0.20 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3gbm n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gbm n SER 26 N 0.00 0.00 -0.04 1.61 2.88 -1.26 -4.92 113.62 111.89 3gbm n SER 26 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3gbm n SER 26 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3gbm n SER 26 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gbm n SER 27 N 0.00 0.00 0.00 -3.46 3.41 -1.26 -3.53 113.62 108.78 3gbm n SER 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gbm n SER 27 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gbm n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3gbm n ASN 27 N 0.00 0.00 0.13 4.04 0.23 -1.26 -3.59 115.26 114.81 3gbm n ASN 27 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 3gbm n ASN 27 Cb 0.00 -0.01 0.02 0.00 -2.08 0.00 0.00 39.78 37.71 3gbm n ASN 27 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3gbm h ILE 28 N 0.00 0.81 -0.43 1.53 2.10 -1.84 -3.19 117.51 116.50 3gbm h ILE 28 Ca 0.00 -2.17 -0.12 0.00 1.08 0.00 0.00 64.86 63.65 3gbm h ILE 28 Cb 0.00 2.38 -0.07 0.00 -1.09 0.00 0.00 36.82 38.04 3gbm h ILE 28 CO 0.00 0.46 0.16 0.61 -1.08 0.00 0.00 178.15 178.30 3gbm n GLY 29 N 1.23 2.79 0.03 8.18 0.00 -1.23 -4.10 105.19 112.09 3gbm n GLY 29 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3gbm n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gbm n ASN 30 N 0.03 0.00 -3.34 1.61 6.94 -1.21 -4.96 115.26 114.33 3gbm n ASN 30 Ca 0.23 -1.02 -0.05 0.00 -0.02 0.00 0.00 54.58 53.73 3gbm n ASN 30 Cb 0.95 -0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.38 3gbm n ASN 30 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 3gbm s ASP 31 N -0.02 -0.04 0.88 0.53 3.84 -1.22 -5.05 116.67 115.59 3gbm s ASP 31 Ca 0.00 -0.75 -0.12 0.00 -0.00 0.00 0.00 52.55 51.69 3gbm s ASP 31 Cb 0.00 0.60 0.12 0.00 -1.38 0.00 0.00 42.92 42.26 3gbm s ASP 31 CO 0.00 -1.17 1.10 -0.31 -0.00 0.00 0.00 175.17 174.79 3gbm s TYR 32 N -2.47 2.46 0.02 2.11 2.02 -1.26 -4.77 117.35 115.45 3gbm s TYR 32 Ca 0.18 1.16 0.04 0.00 -0.37 0.00 0.00 57.07 58.08 3gbm s TYR 32 Cb -0.03 -3.18 -0.02 0.00 -0.40 0.00 0.00 41.96 38.33 3gbm s TYR 32 CO 0.06 -2.27 -0.13 0.08 -1.57 0.00 0.00 175.55 171.73 3gbm s VAL 33 N -3.03 1.03 0.41 0.71 1.01 -1.26 -4.20 120.40 115.07 3gbm s VAL 33 Ca 0.63 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3gbm s VAL 33 Cb -0.17 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 3gbm s VAL 33 CO 0.56 0.11 0.03 -0.44 0.00 0.00 0.00 175.10 175.35 3gbm s SER 34 N -0.78 3.54 -0.09 3.32 0.01 0.25 -1.45 113.70 118.50 3gbm s SER 34 Ca 0.03 -1.43 -0.05 0.00 1.31 0.00 0.00 55.95 55.80 3gbm s SER 34 Cb -0.07 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.06 3gbm s SER 34 CO 0.00 -0.57 0.22 0.26 0.41 0.00 0.00 173.24 173.56 3gbm s TRP 35 N -2.89 -0.27 0.02 2.43 0.52 -0.39 -1.40 118.94 116.96 3gbm s TRP 35 Ca 0.30 0.68 0.08 0.00 0.02 0.00 0.00 56.10 57.17 3gbm s TRP 35 Cb 0.08 0.03 -0.02 0.00 -1.15 0.00 0.00 33.47 32.40 3gbm s TRP 35 CO 0.15 -0.19 -0.22 0.71 0.02 0.00 0.00 176.95 177.41 3gbm s TYR 36 N 1.01 1.99 -0.17 -1.98 2.02 0.38 -0.64 117.35 119.95 3gbm s TYR 36 Ca -0.07 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.20 3gbm s TYR 36 Cb -0.09 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 3gbm s TYR 36 CO -0.06 0.05 -0.02 -1.14 -1.57 0.00 0.00 175.55 172.81 3gbm s GLN 37 N -0.92 3.66 -0.20 -0.62 0.74 0.10 -1.10 119.66 121.31 3gbm s GLN 37 Ca 0.09 -0.52 -0.00 0.00 0.05 0.00 0.00 55.36 54.98 3gbm s GLN 37 Cb -0.09 -2.99 0.02 0.00 1.10 0.00 0.00 33.01 31.05 3gbm s GLN 37 CO 0.01 0.15 -0.15 -1.14 -0.55 0.00 0.00 175.29 173.61 3gbm s GLN 38 N 0.62 2.99 0.38 1.67 0.74 0.82 -1.29 119.66 125.60 3gbm s GLN 38 Ca -0.02 -0.84 -0.03 0.00 0.05 0.00 0.00 55.36 54.52 3gbm s GLN 38 Cb -0.14 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.21 3gbm s GLN 38 CO 0.02 -0.25 0.64 -0.51 -0.55 0.00 0.00 175.29 174.64 3gbm s LEU 39 N 1.32 3.88 0.34 3.68 1.43 -1.26 -1.56 118.68 126.50 3gbm s LEU 39 Ca 0.04 0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 53.56 3gbm s LEU 39 Cb -0.14 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.37 3gbm s LEU 39 CO -0.10 -0.38 1.19 -2.65 0.23 0.00 0.00 176.35 174.65 3gbm n PRO 40 N -1.76 1.85 -1.12 1.29 -0.02 -1.26 -2.70 135.00 131.29 3gbm n PRO 40 Ca -0.02 0.65 -0.04 0.00 -2.02 0.00 0.00 63.50 62.07 3gbm n PRO 40 Cb 0.55 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3gbm n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gbm n GLY 41 N 0.92 0.67 3.21 -1.23 0.00 -1.26 -4.99 105.19 102.51 3gbm n GLY 41 Ca 0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3gbm n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbm s THR 42 N -1.98 0.14 0.40 2.61 -4.23 -1.10 -5.15 115.64 106.32 3gbm s THR 42 Ca 0.00 -1.12 -0.17 0.00 -1.18 0.00 0.00 61.69 59.23 3gbm s THR 42 Cb 0.00 -1.29 -0.09 0.00 1.34 0.00 0.00 72.50 72.46 3gbm s THR 42 CO 0.00 -0.62 0.85 0.00 -0.54 0.00 0.00 174.62 174.32 3gbm s ALA 43 N -3.73 3.19 0.44 3.99 0.00 -1.26 -4.57 121.76 119.81 3gbm s ALA 43 Ca 0.04 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.93 3gbm s ALA 43 Cb 0.04 -2.95 -0.11 0.00 0.00 0.00 0.00 23.12 20.10 3gbm s ALA 43 CO -0.10 0.14 0.77 -2.30 0.00 0.00 0.00 175.76 174.27 3gbm n PRO 44 N -0.74 0.91 -5.20 0.00 -0.02 -1.26 -4.73 135.00 123.96 3gbm n PRO 44 Ca 0.05 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 3gbm n PRO 44 Cb 0.54 -1.78 -0.17 0.00 -0.02 0.00 0.00 33.50 32.07 3gbm n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gbm s LYS 45 N -1.86 2.62 -0.03 -0.52 2.20 -0.41 -4.95 119.74 116.79 3gbm s LYS 45 Ca 0.64 -0.86 -0.28 0.00 -0.36 0.00 0.00 55.97 55.11 3gbm s LYS 45 Cb -0.57 -2.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 3gbm s LYS 45 CO 0.56 0.30 0.91 -1.17 -0.36 0.00 0.00 175.35 175.59 3gbm s LEU 46 N 0.04 4.34 -0.09 5.43 2.96 -1.26 0.00 118.68 130.10 3gbm s LEU 46 Ca -0.09 1.51 0.06 0.00 -0.22 0.00 0.00 54.13 55.39 3gbm s LEU 46 Cb -0.15 -3.43 -0.10 0.00 0.50 0.00 0.00 46.19 43.01 3gbm s LEU 46 CO 0.05 -0.24 -0.00 0.18 -1.32 0.00 0.00 176.35 175.02 3gbm n LEU 47 N 4.01 0.70 -3.75 -0.68 4.77 0.18 -4.79 117.00 117.44 3gbm n LEU 47 Ca 0.04 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3gbm n LEU 47 Cb 0.51 0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 3gbm n LEU 47 CO 0.51 0.32 -0.21 -0.63 -1.33 0.00 0.00 177.39 176.05 3gbm s ILE 48 N -2.21 -0.04 0.22 -0.08 -1.09 -1.16 -4.35 121.20 112.49 3gbm s ILE 48 Ca -0.07 0.16 0.07 0.00 -2.23 0.00 0.00 60.65 58.58 3gbm s ILE 48 Cb 0.03 -0.26 -0.05 0.00 -1.58 0.00 0.00 42.46 40.60 3gbm s ILE 48 CO 0.32 0.07 -0.11 -0.72 -1.23 0.00 0.00 174.94 173.27 3gbm s TYR 49 N 1.09 1.74 -1.33 3.97 1.13 -0.94 -1.26 117.35 121.76 3gbm s TYR 49 Ca -0.08 -0.64 -0.02 0.00 -1.41 0.00 0.00 57.07 54.92 3gbm s TYR 49 Cb -0.10 -0.88 -0.00 0.00 -1.10 0.00 0.00 41.96 39.88 3gbm s TYR 49 CO -0.06 0.30 0.59 -0.25 -2.51 0.00 0.00 175.55 173.62 3gbm n ASP 50 N -0.43 -1.29 0.00 -0.18 8.00 -1.21 -0.79 116.55 120.66 3gbm n ASP 50 Ca -0.07 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.51 3gbm n ASP 50 Cb 0.61 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 3gbm n ASP 50 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gbm n ASN 51 N -2.99 0.00 -0.08 -2.24 3.02 -0.53 -4.03 115.26 108.41 3gbm n ASN 51 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3gbm n ASN 51 Cb 0.67 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 3gbm n ASN 51 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3gbm n ASN 52 N 1.05 0.00 -4.93 6.41 0.23 -1.15 -2.78 115.26 114.09 3gbm n ASN 52 Ca 0.00 -1.14 -0.19 0.00 -0.53 0.00 0.00 54.58 52.72 3gbm n ASN 52 Cb 0.00 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 3gbm n ASN 52 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3gbm s LYS 53 N 0.00 2.67 -0.03 -3.83 1.02 0.03 -4.65 119.74 114.96 3gbm s LYS 53 Ca 0.00 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 54.61 3gbm s LYS 53 Cb 0.00 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 3gbm s LYS 53 CO 0.00 -0.19 -0.03 1.03 -0.92 0.00 0.00 175.35 175.24 3gbm s ARG 54 N -4.20 0.63 0.53 1.68 0.52 -1.26 -2.21 118.95 114.64 3gbm s ARG 54 Ca 0.50 -0.07 -0.21 0.00 -0.52 0.00 0.00 55.73 55.43 3gbm s ARG 54 Cb -0.06 -0.68 -0.05 0.00 0.52 0.00 0.00 34.95 34.68 3gbm s ARG 54 CO 0.30 -0.07 1.24 -1.25 0.02 0.00 0.00 175.30 175.54 3gbm s PRO 55 N 0.79 3.31 0.51 3.54 0.04 -1.26 -4.97 135.00 136.96 3gbm s PRO 55 Ca -0.10 1.95 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 3gbm s PRO 55 Cb -0.13 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 3gbm s PRO 55 CO -0.00 -0.96 1.38 -1.54 0.04 0.00 0.00 177.00 175.91 3gbm s SER 56 N -1.29 5.53 0.00 6.66 1.04 -1.26 -2.35 113.70 122.02 3gbm s SER 56 Ca 0.70 2.82 0.00 0.00 0.48 0.00 0.00 55.95 59.95 3gbm s SER 56 Cb -0.33 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.15 3gbm s SER 56 CO 0.39 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3gbm n GLY 57 N 0.66 1.92 3.66 7.32 0.00 -1.26 -5.06 105.19 112.42 3gbm n GLY 57 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3gbm n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbm s ILE 58 N -2.52 5.29 0.75 -0.61 -1.09 -0.99 -5.08 121.20 116.94 3gbm s ILE 58 Ca 0.00 0.37 -0.12 0.00 -2.23 0.00 0.00 60.65 58.67 3gbm s ILE 58 Cb 0.00 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.34 3gbm s ILE 58 CO 0.00 0.30 1.10 -2.16 -1.23 0.00 0.00 174.94 172.95 3gbm s PRO 59 N 1.24 2.34 0.00 2.79 0.04 -1.26 -4.93 135.00 135.22 3gbm s PRO 59 Ca 0.12 1.28 0.10 0.00 0.04 0.00 0.00 61.00 62.54 3gbm s PRO 59 Cb -0.14 -1.90 0.63 0.00 0.04 0.00 0.00 34.50 33.12 3gbm s PRO 59 CO 0.06 -1.59 1.39 -0.40 0.04 0.00 0.00 177.00 176.50 3gbm n ASP 60 N -3.21 0.00 0.10 6.66 5.75 -1.26 -3.01 116.55 121.57 3gbm n ASP 60 Ca 0.10 -1.65 0.02 0.00 -0.01 0.00 0.00 54.79 53.25 3gbm n ASP 60 Cb 0.53 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 40.98 3gbm n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3gbm h ARG 61 N 0.00 0.28 -6.20 0.11 3.08 -1.92 -3.43 114.38 106.31 3gbm h ARG 61 Ca 0.00 -0.07 -0.56 0.00 0.07 0.00 0.00 59.98 59.42 3gbm h ARG 61 Cb 0.00 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3gbm h ARG 61 CO 0.00 0.42 0.03 -0.06 -1.07 0.00 0.00 179.97 179.30 3gbm s PHE 62 N -4.72 3.74 0.31 3.04 0.08 -1.17 -2.29 117.98 116.98 3gbm s PHE 62 Ca -0.06 1.31 -0.10 0.00 0.12 0.00 0.00 56.93 58.20 3gbm s PHE 62 Cb 0.15 -2.64 0.01 0.00 -0.57 0.00 0.00 43.02 39.97 3gbm s PHE 62 CO 0.74 0.41 0.55 -1.54 -0.10 0.00 0.00 175.22 175.28 3gbm s SER 63 N -0.46 0.25 0.22 1.36 1.04 -0.26 -4.99 113.70 110.86 3gbm s SER 63 Ca 0.32 -1.14 -0.18 0.00 0.48 0.00 0.00 55.95 55.43 3gbm s SER 63 Cb -0.19 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.62 3gbm s SER 63 CO 0.20 -1.31 0.58 -0.83 0.98 0.00 0.00 173.24 172.85 3gbm s GLY 64 N -3.10 -0.06 0.05 7.32 0.00 -1.26 -1.38 107.32 108.89 3gbm s GLY 64 Ca 0.23 -0.26 -0.24 0.00 0.00 0.00 0.00 44.72 44.45 3gbm s GLY 64 CO 0.13 -0.22 0.57 -1.35 0.00 0.00 0.00 173.10 172.24 3gbm s SER 65 N -2.89 -0.52 -0.36 1.64 1.04 -1.04 -4.34 113.70 107.23 3gbm s SER 65 Ca 0.11 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.79 3gbm s SER 65 Cb -0.02 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.74 3gbm s SER 65 CO 0.00 -0.75 0.16 -0.75 0.98 0.00 0.00 173.24 172.89 3gbm s LYS 66 N -2.46 0.88 -0.16 4.02 2.20 -1.26 -2.00 119.74 120.96 3gbm s LYS 66 Ca -0.05 -1.42 -0.13 0.00 -0.36 0.00 0.00 55.97 54.01 3gbm s LYS 66 Cb -0.01 -2.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.26 3gbm s LYS 66 CO -0.02 -1.08 0.26 0.45 -0.36 0.00 0.00 175.35 174.61 3gbm s SER 67 N 1.12 6.40 1.73 1.43 0.15 -1.18 -5.00 113.70 118.36 3gbm s SER 67 Ca 0.14 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.26 3gbm s SER 67 Cb -0.20 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 3gbm s SER 67 CO -0.13 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3gbm n GLY 68 N 3.28 3.60 2.19 9.45 0.00 -1.26 -2.74 105.19 119.71 3gbm n GLY 68 Ca -0.13 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3gbm n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gbm n THR 69 N 0.00 3.32 -3.45 2.61 5.66 -1.26 -4.49 114.28 116.67 3gbm n THR 69 Ca 0.00 -2.50 -0.12 0.00 -3.05 0.00 0.00 64.05 58.39 3gbm n THR 69 Cb 0.00 -0.77 -0.02 0.00 -1.55 0.00 0.00 70.33 67.99 3gbm n THR 69 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3gbm s SER 70 N -1.70 -0.55 0.06 1.09 1.04 -1.11 -1.83 113.70 110.69 3gbm s SER 70 Ca 0.59 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 3gbm s SER 70 Cb 0.48 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 67.18 3gbm s SER 70 CO 0.05 -0.99 0.00 0.00 0.98 0.00 0.00 173.24 173.28 3gbm s ALA 71 N -3.76 0.40 -0.01 5.32 0.00 0.66 -3.09 121.76 121.28 3gbm s ALA 71 Ca 0.02 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3gbm s ALA 71 Cb -0.01 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.41 3gbm s ALA 71 CO -0.12 -0.39 -0.02 0.99 0.00 0.00 0.00 175.76 176.22 3gbm s THR 72 N -3.90 0.20 -0.19 0.00 2.01 -0.84 0.28 115.64 113.21 3gbm s THR 72 Ca 0.07 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 3gbm s THR 72 Cb 0.07 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.37 3gbm s THR 72 CO -0.10 0.07 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.66 3gbm s LEU 73 N 0.08 3.22 -0.14 4.42 2.96 0.80 -2.50 118.68 127.52 3gbm s LEU 73 Ca -0.00 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3gbm s LEU 73 Cb -0.03 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 3gbm s LEU 73 CO -0.00 0.09 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.14 3gbm s GLY 74 N 0.83 1.49 -0.18 7.98 0.00 -0.48 -0.44 107.32 116.52 3gbm s GLY 74 Ca -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3gbm s GLY 74 CO 0.02 -0.10 -0.03 -1.50 0.00 0.00 0.00 173.10 171.49 3gbm s ILE 75 N 0.57 1.03 0.42 0.90 2.07 -0.58 -1.11 121.20 124.49 3gbm s ILE 75 Ca -0.09 -0.70 0.05 0.00 -1.41 0.00 0.00 60.65 58.50 3gbm s ILE 75 Cb -0.16 -1.29 0.01 0.00 0.13 0.00 0.00 42.46 41.14 3gbm s ILE 75 CO 0.03 0.01 0.59 0.42 -1.91 0.00 0.00 174.94 174.08 3gbm s THR 76 N 1.65 3.50 -1.56 4.00 -4.23 -0.97 -1.30 115.64 116.73 3gbm s THR 76 Ca -0.01 -0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 59.52 3gbm s THR 76 Cb -0.16 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.54 3gbm s THR 76 CO -0.07 -0.11 0.82 0.61 -0.54 0.00 0.00 174.62 175.32 3gbm n GLY 77 N -1.90 -0.43 3.59 3.99 0.00 -0.95 -4.84 105.19 104.65 3gbm n GLY 77 Ca 0.04 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3gbm n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gbm n LEU 78 N -4.51 2.57 -4.25 0.99 0.00 -0.97 -4.44 117.00 106.40 3gbm n LEU 78 Ca -0.02 0.94 -0.14 0.00 0.00 0.00 0.00 56.01 56.79 3gbm n LEU 78 Cb 0.55 -1.33 -0.10 0.00 0.00 0.00 0.00 43.42 42.53 3gbm n LEU 78 CO 0.79 -1.81 -0.28 -1.10 0.00 0.00 0.00 177.39 174.98 3gbm s GLN 79 N -2.20 1.21 0.29 1.96 -0.21 -1.26 -0.86 119.66 118.59 3gbm s GLN 79 Ca 0.67 -1.62 0.12 0.00 0.02 0.00 0.00 55.36 54.55 3gbm s GLN 79 Cb -0.51 -0.12 0.39 0.00 1.00 0.00 0.00 33.01 33.77 3gbm s GLN 79 CO 0.54 -0.24 1.62 1.79 -2.12 0.00 0.00 175.29 176.87 3gbm h THR 80 N 2.59 1.31 0.00 -0.19 1.35 -1.95 -2.05 112.91 113.97 3gbm h THR 80 Ca -0.37 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 3gbm h THR 80 Cb 1.23 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 3gbm h THR 80 CO 0.60 0.57 0.00 1.23 -0.25 0.00 0.00 175.52 177.67 3gbm h GLY 81 N 2.02 0.00 1.67 5.82 0.00 -2.02 -2.08 103.07 108.49 3gbm h GLY 81 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3gbm h GLY 81 CO 0.08 0.00 -0.01 1.22 0.00 0.00 0.00 176.54 177.83 3gbm n ASP 82 N -2.30 0.02 -4.64 0.19 8.00 -0.77 -4.85 116.55 112.19 3gbm n ASP 82 Ca -0.00 0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 3gbm n ASP 82 Cb 0.11 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 3gbm n ASP 82 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3gbm s GLU 83 N -2.70 3.86 0.05 -1.24 2.12 -0.78 -4.89 118.70 115.12 3gbm s GLU 83 Ca 0.24 2.18 -0.28 0.00 0.36 0.00 0.00 54.97 57.47 3gbm s GLU 83 Cb 0.20 -4.14 0.09 0.00 0.26 0.00 0.00 34.13 30.54 3gbm s GLU 83 CO 0.48 -1.25 1.09 0.00 -0.54 0.00 0.00 175.26 175.04 3gbm s ALA 84 N 5.34 -1.91 0.07 6.30 0.00 -1.17 -4.89 121.76 125.50 3gbm s ALA 84 Ca 0.84 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 53.13 3gbm s ALA 84 Cb -0.35 0.46 -0.07 0.00 0.00 0.00 0.00 23.12 23.17 3gbm s ALA 84 CO 0.35 -0.98 0.54 -0.80 0.00 0.00 0.00 175.76 174.87 3gbm s ASN 85 N -2.86 7.01 -0.07 0.00 0.01 -0.60 -1.72 114.94 116.71 3gbm s ASN 85 Ca 0.12 1.21 0.01 0.00 -0.71 0.00 0.00 52.86 53.49 3gbm s ASN 85 Cb 0.01 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.35 3gbm s ASN 85 CO -0.02 0.27 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.45 3gbm s TYR 86 N -1.13 1.23 -0.08 2.20 1.51 -0.87 -0.13 117.35 120.09 3gbm s TYR 86 Ca 0.29 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 3gbm s TYR 86 Cb -0.19 -0.97 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 3gbm s TYR 86 CO 0.18 -0.29 -0.16 0.71 -1.11 0.00 0.00 175.55 174.87 3gbm s TYR 87 N 0.96 1.87 0.48 2.71 2.02 -0.26 -1.24 117.35 123.88 3gbm s TYR 87 Ca -0.10 -0.74 -0.09 0.00 -0.37 0.00 0.00 57.07 55.77 3gbm s TYR 87 Cb -0.15 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.05 3gbm s TYR 87 CO 0.00 -0.34 0.83 0.00 -1.57 0.00 0.00 175.55 174.47 3gbm s ALA 89 N -2.66 -0.29 0.26 0.00 0.00 -0.49 -0.66 121.76 117.93 3gbm s ALA 89 Ca 0.51 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 3gbm s ALA 89 Cb -0.10 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3gbm s ALA 89 CO 0.40 -0.22 0.58 -0.08 0.00 0.00 0.00 175.76 176.44 3gbm s THR 90 N -1.57 0.00 0.20 0.00 -1.32 -0.32 -0.58 115.64 112.05 3gbm s THR 90 Ca -0.13 -1.24 -0.05 0.00 -1.21 0.00 0.00 61.69 59.05 3gbm s THR 90 Cb -0.07 -2.14 -0.06 0.00 -1.51 0.00 0.00 72.50 68.72 3gbm s THR 90 CO 0.01 0.00 0.45 0.86 -2.21 0.00 0.00 174.62 173.73 3gbm s TRP 91 N -3.93 3.47 0.22 9.09 -0.11 -1.26 -0.83 118.94 125.59 3gbm s TRP 91 Ca 0.18 0.60 0.00 0.00 1.22 0.00 0.00 56.10 58.10 3gbm s TRP 91 Cb -0.03 -2.05 0.00 0.00 -1.50 0.00 0.00 33.47 29.89 3gbm s TRP 91 CO 0.08 0.33 0.00 -3.47 -4.62 0.00 0.00 176.95 169.28 3gbm n ASP 92 N -0.31 -3.30 0.00 5.86 -0.08 0.20 -4.66 116.55 114.26 3gbm n ASP 92 Ca -0.02 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 3gbm n ASP 92 Cb 0.53 -1.91 0.00 0.00 2.34 0.00 0.00 41.12 42.08 3gbm n ASP 92 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3gbm n ARG 93 N -3.10 0.00 0.00 -0.67 3.00 -1.24 -4.54 116.66 110.12 3gbm n ARG 93 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 3gbm n ARG 93 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.73 3gbm n ARG 93 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3gbm n THR 95 N -1.60 0.00 -2.15 5.15 5.66 -1.26 -4.92 114.28 115.17 3gbm n THR 95 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 3gbm n THR 95 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3gbm n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gbm s ALA 95 N 0.00 2.77 -0.01 1.79 0.00 -1.26 -5.06 121.76 119.99 3gbm s ALA 95 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 3gbm s ALA 95 Cb 0.00 -3.24 0.11 0.00 0.00 0.00 0.00 23.12 19.99 3gbm s ALA 95 CO 0.00 -0.71 1.13 1.52 0.00 0.00 0.00 175.76 177.70 3gbm s TYR 95 N -2.35 -0.12 0.07 0.00 -0.85 -1.26 -4.88 117.35 107.95 3gbm s TYR 95 Ca 0.64 -0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.87 3gbm s TYR 95 Cb -0.16 0.56 -0.06 0.00 0.38 0.00 0.00 41.96 42.69 3gbm s TYR 95 CO 0.33 -0.44 1.15 0.08 -1.52 0.00 0.00 175.55 175.15 3gbm s VAL 96 N -2.74 4.13 -0.02 -3.49 1.01 -1.26 -0.63 120.40 117.39 3gbm s VAL 96 Ca 0.11 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.73 3gbm s VAL 96 Cb 0.01 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3gbm s VAL 96 CO -0.03 0.15 -0.22 0.54 0.00 0.00 0.00 175.10 175.53 3gbm s VAL 97 N 0.84 1.75 0.04 2.92 0.11 -0.01 -4.96 120.40 121.09 3gbm s VAL 97 Ca 0.56 -0.94 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 3gbm s VAL 97 Cb -0.28 -1.46 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 3gbm s VAL 97 CO 0.30 0.49 -0.13 -0.36 -3.33 0.00 0.00 175.10 172.07 3gbm s PHE 98 N -0.44 2.68 0.66 1.54 0.40 -1.26 -1.17 117.98 120.39 3gbm s PHE 98 Ca 0.06 -0.18 -0.13 0.00 -0.60 0.00 0.00 56.93 56.09 3gbm s PHE 98 Cb -0.09 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 3gbm s PHE 98 CO -0.00 0.32 1.06 0.20 0.70 0.00 0.00 175.22 177.50 3gbm s GLY 99 N -1.59 1.86 0.40 4.36 0.00 0.17 -4.55 107.32 107.98 3gbm s GLY 99 Ca 0.17 0.23 0.12 0.00 0.00 0.00 0.00 44.72 45.24 3gbm s GLY 99 CO 0.08 0.55 1.92 -1.33 0.00 0.00 0.00 173.10 174.32 3gbm h GLY 100 N -0.28 0.85 0.00 0.20 0.00 -1.90 -3.43 103.07 98.51 3gbm h GLY 100 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3gbm h GLY 100 CO 0.56 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.81 3gbm n GLY 101 N -1.49 2.78 2.76 4.60 0.00 -1.26 -5.03 105.19 107.54 3gbm n GLY 101 Ca 0.14 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 3gbm n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gbm s THR 102 N -2.10 0.62 -0.22 2.61 2.01 -0.38 -4.23 115.64 113.96 3gbm s THR 102 Ca 0.00 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 3gbm s THR 102 Cb 0.00 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 3gbm s THR 102 CO 0.00 -0.19 1.33 -0.75 -0.69 0.00 0.00 174.62 174.32 3gbm s LYS 103 N 1.81 4.06 -0.26 4.92 2.47 -0.09 -2.04 119.74 130.62 3gbm s LYS 103 Ca -0.01 1.52 -0.12 0.00 -1.56 0.00 0.00 55.97 55.79 3gbm s LYS 103 Cb -0.17 -3.84 -0.05 0.00 -1.46 0.00 0.00 37.83 32.31 3gbm s LYS 103 CO -0.08 -0.93 0.25 -1.17 0.16 0.00 0.00 175.35 173.58 3gbm s LEU 104 N 4.03 4.06 -0.10 5.43 0.20 -0.70 -0.71 118.68 130.89 3gbm s LEU 104 Ca 0.58 0.15 -0.00 0.00 0.69 0.00 0.00 54.13 55.55 3gbm s LEU 104 Cb -0.20 -2.24 -0.02 0.00 -0.43 0.00 0.00 46.19 43.29 3gbm s LEU 104 CO 0.20 -0.06 -0.09 0.42 -0.29 0.00 0.00 176.35 176.53 3gbm s THR 105 N 1.63 3.47 -2.70 3.68 -4.23 0.04 -3.05 115.64 114.48 3gbm s THR 105 Ca 0.11 -0.54 0.25 0.00 -1.18 0.00 0.00 61.69 60.32 3gbm s THR 105 Cb -0.15 -2.44 0.36 0.00 1.34 0.00 0.00 72.50 71.61 3gbm s THR 105 CO 0.09 0.55 1.46 1.33 -0.54 0.00 0.00 174.62 177.51 3gbm n VAL 106 N 2.88 0.09 -2.33 2.29 0.24 -1.26 -2.47 118.33 117.77 3gbm n VAL 106 Ca -0.18 -0.44 -0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3gbm n VAL 106 Cb 0.53 1.00 -0.00 0.00 -1.47 0.00 0.00 33.84 33.90 3gbm n VAL 106 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3gbm n LEU 106 N 0.90 -6.50 0.00 1.34 4.77 -1.24 -4.17 117.00 112.10 3gbm n LEU 106 Ca 0.17 2.75 0.00 0.00 -0.03 0.00 0.00 56.01 58.89 3gbm n LEU 106 Cb 0.50 -3.20 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 3gbm n LEU 106 CO 0.15 -2.93 0.00 0.00 -1.33 0.00 0.00 177.39 173.28 3gbm n ALA 112 N 1.78 0.00 -1.93 -1.18 0.00 -1.24 -5.02 120.51 112.91 3gbm n ALA 112 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.15 3gbm n ALA 112 Cb 0.04 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.58 3gbm n ALA 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gbm s PRO 113 N -0.77 2.01 -0.05 0.00 0.04 -1.26 -4.28 135.00 130.69 3gbm s PRO 113 Ca 0.00 -0.30 -0.02 0.00 0.04 0.00 0.00 61.00 60.72 3gbm s PRO 113 Cb 0.00 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.44 3gbm s PRO 113 CO 0.00 -1.38 0.10 -1.54 0.04 0.00 0.00 177.00 174.22 3gbm s SER 114 N -4.57 0.06 -0.54 6.66 1.04 -0.83 -4.98 113.70 110.54 3gbm s SER 114 Ca 0.62 0.20 0.05 0.00 0.48 0.00 0.00 55.95 57.30 3gbm s SER 114 Cb -0.10 0.09 0.18 0.00 0.10 0.00 0.00 66.02 66.29 3gbm s SER 114 CO 0.46 -0.15 0.43 0.52 0.98 0.00 0.00 173.24 175.48 3gbm n VAL 115 N 4.32 0.15 -2.03 5.02 0.31 -1.26 -1.38 118.33 123.47 3gbm n VAL 115 Ca -0.25 -4.13 -0.37 0.00 -0.01 0.00 0.00 64.34 59.58 3gbm n VAL 115 Cb 0.51 -1.91 0.02 0.00 -0.91 0.00 0.00 33.84 31.55 3gbm n VAL 115 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gbm s THR 116 N -0.76 2.61 0.39 2.52 2.01 -1.21 -4.69 115.64 116.51 3gbm s THR 116 Ca 0.30 0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.81 3gbm s THR 116 Cb 0.02 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 69.24 3gbm s THR 116 CO -0.17 -0.02 0.02 -0.22 -0.69 0.00 0.00 174.62 173.54 3gbm s LEU 117 N -3.39 2.70 0.00 4.42 2.96 -1.26 -2.10 118.68 122.01 3gbm s LEU 117 Ca 0.69 -1.38 -0.16 0.00 -0.22 0.00 0.00 54.13 53.07 3gbm s LEU 117 Cb -0.34 -0.77 0.03 0.00 0.50 0.00 0.00 46.19 45.61 3gbm s LEU 117 CO 0.40 -0.50 0.34 -0.36 -1.32 0.00 0.00 176.35 174.91 3gbm s PHE 118 N -2.85 -0.19 0.47 5.38 0.08 -0.68 -4.97 117.98 115.21 3gbm s PHE 118 Ca 0.35 0.24 0.05 0.00 0.12 0.00 0.00 56.93 57.69 3gbm s PHE 118 Cb 0.10 0.12 0.02 0.00 -0.57 0.00 0.00 43.02 42.69 3gbm s PHE 118 CO 0.17 -0.44 0.65 -1.25 -0.10 0.00 0.00 175.22 174.25 3gbm s PRO 119 N -1.69 2.71 0.32 0.24 0.04 -1.26 -3.25 135.00 132.11 3gbm s PRO 119 Ca -0.11 -1.07 -0.29 0.00 0.04 0.00 0.00 61.00 59.57 3gbm s PRO 119 Cb -0.04 -2.65 -0.11 0.00 0.04 0.00 0.00 34.50 31.74 3gbm s PRO 119 CO 0.02 -0.44 1.55 -2.30 0.04 0.00 0.00 177.00 175.87 3gbm n PRO 120 N -2.04 2.68 -2.50 0.56 -0.01 -1.22 -4.82 135.00 127.65 3gbm n PRO 120 Ca 0.08 0.95 -0.33 0.00 -0.01 0.00 0.00 63.50 64.19 3gbm n PRO 120 Cb 0.59 -2.71 -0.04 0.00 -0.01 0.00 0.00 33.50 31.33 3gbm n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 3gbm s SER 121 N 0.26 6.61 0.00 2.55 1.04 -1.26 -4.90 113.70 118.00 3gbm s SER 121 Ca 0.60 1.66 0.20 0.00 0.48 0.00 0.00 55.95 58.89 3gbm s SER 121 Cb -0.49 -2.52 1.09 0.00 0.10 0.00 0.00 66.02 64.20 3gbm s SER 121 CO 0.54 -0.59 1.61 -1.54 0.98 0.00 0.00 173.24 174.24 3gbm n SER 122 N -1.31 0.00 0.05 7.02 3.41 -1.26 -0.92 113.62 120.62 3gbm n SER 122 Ca 0.07 -0.27 -0.15 0.00 -0.26 0.00 0.00 58.87 58.26 3gbm n SER 122 Cb 0.54 -0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 64.18 3gbm n SER 122 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3gbm h GLU 123 N 0.00 0.19 0.06 4.33 4.81 -1.97 -2.92 114.58 119.07 3gbm h GLU 123 Ca 0.00 -0.33 -0.27 0.00 -0.13 0.00 0.00 59.36 58.63 3gbm h GLU 123 Cb 0.11 0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.63 3gbm h GLU 123 CO 0.00 1.03 -1.11 1.49 -0.73 0.00 0.00 179.01 179.69 3gbm h GLU 124 N 0.05 0.57 -0.56 1.92 4.81 -1.55 0.65 114.58 120.47 3gbm h GLU 124 Ca -0.23 -0.69 -0.05 0.00 -0.13 0.00 0.00 59.36 58.26 3gbm h GLU 124 Cb 1.99 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 31.56 3gbm h GLU 124 CO 0.15 1.29 0.15 -0.07 -0.73 0.00 0.00 179.01 179.80 3gbm h LEU 125 N 0.29 0.83 -0.95 1.64 3.38 -0.91 -1.26 115.31 118.32 3gbm h LEU 125 Ca -0.14 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.66 3gbm h LEU 125 Cb 1.78 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.25 3gbm h LEU 125 CO 0.21 0.83 0.61 -0.61 0.09 0.00 0.00 178.44 179.58 3gbm h GLN 126 N 0.78 1.10 -0.59 1.13 5.75 -1.44 -0.35 115.11 121.50 3gbm h GLN 126 Ca 0.18 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3gbm h GLN 126 Cb 0.32 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3gbm h GLN 126 CO -0.00 0.73 0.00 0.00 -2.65 0.00 0.00 178.83 176.91 3gbm n ALA 127 N -2.36 2.33 -1.11 3.38 0.00 0.21 -4.86 120.51 118.10 3gbm n ALA 127 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 3gbm n ALA 127 Cb 0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 3gbm n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gbm n ASN 128 N -0.11 -4.44 -4.26 0.00 5.15 -0.14 -4.96 115.26 106.49 3gbm n ASN 128 Ca 0.00 0.10 -0.14 0.00 -0.60 0.00 0.00 54.58 53.93 3gbm n ASN 128 Cb 0.15 -2.29 -0.10 0.00 -0.53 0.00 0.00 39.78 37.01 3gbm n ASN 128 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3gbm s LYS 129 N -1.71 1.21 -0.12 1.20 2.47 -0.56 -4.48 119.74 117.76 3gbm s LYS 129 Ca 0.00 -1.61 -0.13 0.00 -1.56 0.00 0.00 55.97 52.67 3gbm s LYS 129 Cb 0.00 -0.25 0.03 0.00 -1.46 0.00 0.00 37.83 36.16 3gbm s LYS 129 CO 0.00 -0.19 0.37 0.00 0.16 0.00 0.00 175.35 175.68 3gbm s ALA 130 N -3.71 -0.91 -0.05 3.13 0.00 -1.08 -2.94 121.76 116.21 3gbm s ALA 130 Ca 0.29 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 3gbm s ALA 130 Cb 0.07 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.72 3gbm s ALA 130 CO 0.07 -0.19 0.11 0.99 0.00 0.00 0.00 175.76 176.74 3gbm s THR 131 N -0.03 -0.07 -0.44 0.00 2.01 -1.26 -0.90 115.64 114.95 3gbm s THR 131 Ca -0.02 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.07 3gbm s THR 131 Cb -0.03 -0.19 0.06 0.00 0.01 0.00 0.00 72.50 72.35 3gbm s THR 131 CO 0.01 0.09 0.33 -1.48 -0.69 0.00 0.00 174.62 172.88 3gbm s LEU 132 N 1.29 5.33 -0.40 4.42 2.34 0.48 -3.40 118.68 128.73 3gbm s LEU 132 Ca -0.07 -1.28 -0.19 0.00 0.06 0.00 0.00 54.13 52.64 3gbm s LEU 132 Cb -0.12 -2.11 0.01 0.00 -0.56 0.00 0.00 46.19 43.41 3gbm s LEU 132 CO -0.05 -0.56 0.56 -0.69 -1.06 0.00 0.00 176.35 174.55 3gbm s VAL 133 N 1.58 4.94 -0.33 1.48 1.01 -1.20 -1.34 120.40 126.54 3gbm s VAL 133 Ca 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 3gbm s VAL 133 Cb -0.23 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.10 3gbm s VAL 133 CO 0.06 -0.43 0.09 0.00 0.00 0.00 0.00 175.10 174.82 3gbm s LEU 135 N 1.41 4.28 -0.07 0.00 1.43 -0.89 -0.04 118.68 124.80 3gbm s LEU 135 Ca -0.01 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3gbm s LEU 135 Cb -0.19 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.21 3gbm s LEU 135 CO 0.02 0.01 0.16 -0.63 0.23 0.00 0.00 176.35 176.15 3gbm s ILE 136 N -1.84 -0.03 0.31 -0.59 1.01 -0.82 -3.31 121.20 115.94 3gbm s ILE 136 Ca 0.34 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 3gbm s ILE 136 Cb -0.10 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.13 3gbm s ILE 136 CO 0.28 0.04 0.54 -0.94 0.00 0.00 0.00 174.94 174.86 3gbm s SER 137 N 0.68 0.28 -1.93 3.58 1.04 -0.48 -1.77 113.70 115.10 3gbm s SER 137 Ca -0.05 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.22 3gbm s SER 137 Cb -0.07 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3gbm s SER 137 CO -0.03 -1.31 0.00 0.47 0.98 0.00 0.00 173.24 173.35 3gbm n ASP 138 N -0.94 -5.41 -4.85 7.02 9.92 -0.99 -1.97 116.55 119.33 3gbm n ASP 138 Ca -0.02 0.29 -0.25 0.00 -0.53 0.00 0.00 54.79 54.27 3gbm n ASP 138 Cb 0.61 -4.68 -0.04 0.00 -0.64 0.00 0.00 41.12 36.37 3gbm n ASP 138 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3gbm s PHE 139 N -2.81 3.24 -0.28 1.24 -0.71 -1.24 -4.63 117.98 112.80 3gbm s PHE 139 Ca 0.00 -0.00 -0.18 0.00 -1.04 0.00 0.00 56.93 55.71 3gbm s PHE 139 Cb 0.00 -1.53 0.09 0.00 -1.21 0.00 0.00 43.02 40.37 3gbm s PHE 139 CO 0.00 0.51 0.76 -0.47 -1.34 0.00 0.00 175.22 174.68 3gbm s TYR 140 N -1.83 -0.91 0.94 3.49 6.14 -1.26 -1.43 117.35 122.50 3gbm s TYR 140 Ca 0.32 1.88 -0.12 0.00 0.64 0.00 0.00 57.07 59.79 3gbm s TYR 140 Cb -0.10 0.51 0.16 0.00 0.42 0.00 0.00 41.96 42.95 3gbm s TYR 140 CO 0.25 -0.45 1.12 -1.25 0.64 0.00 0.00 175.55 175.86 3gbm s PRO 141 N 1.31 0.88 -1.21 4.97 0.04 -1.26 -3.69 135.00 136.03 3gbm s PRO 141 Ca -0.08 0.39 -0.10 0.00 0.04 0.00 0.00 61.00 61.25 3gbm s PRO 141 Cb -0.05 -1.80 0.20 0.00 0.04 0.00 0.00 34.50 32.89 3gbm s PRO 141 CO -0.15 -2.40 1.58 0.41 0.04 0.00 0.00 177.00 176.48 3gbm n GLY 142 N -1.76 4.23 3.54 0.56 0.00 -1.26 -4.92 105.19 105.58 3gbm n GLY 142 Ca 0.06 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 3gbm n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm s ALA 143 N 0.24 -1.84 0.32 4.61 0.00 -1.26 -4.87 121.76 118.96 3gbm s ALA 143 Ca 0.39 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 3gbm s ALA 143 Cb 0.02 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3gbm s ALA 143 CO 0.01 -0.36 0.71 0.14 0.00 0.00 0.00 175.76 176.25 3gbm s VAL 144 N -1.27 0.00 0.10 0.00 -7.23 -1.26 -4.84 120.40 105.90 3gbm s VAL 144 Ca -0.06 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 3gbm s VAL 144 Cb -0.00 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3gbm s VAL 144 CO 0.05 0.00 -0.01 0.28 -0.31 0.00 0.00 175.10 175.11 3gbm s THR 145 N -3.31 0.38 0.11 5.32 -1.32 -1.24 -5.01 115.64 110.57 3gbm s THR 145 Ca 0.15 -1.89 -0.13 0.00 -1.21 0.00 0.00 61.69 58.60 3gbm s THR 145 Cb -0.05 -1.80 0.02 0.00 -1.51 0.00 0.00 72.50 69.16 3gbm s THR 145 CO 0.09 -0.74 0.31 -0.69 -2.21 0.00 0.00 174.62 171.38 3gbm s VAL 146 N -3.84 0.10 -0.29 5.08 1.01 -1.26 -2.66 120.40 118.55 3gbm s VAL 146 Ca 0.15 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 3gbm s VAL 146 Cb 0.07 -1.24 0.13 0.00 0.00 0.00 0.00 36.38 35.35 3gbm s VAL 146 CO -0.03 -0.46 1.03 0.00 0.00 0.00 0.00 175.10 175.64 3gbm s ALA 147 N -3.82 -2.09 -0.16 5.51 0.00 -1.22 -5.03 121.76 114.95 3gbm s ALA 147 Ca 0.04 1.98 -0.06 0.00 0.00 0.00 0.00 51.96 53.92 3gbm s ALA 147 Cb 0.03 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 3gbm s ALA 147 CO -0.12 -0.27 0.03 -1.58 0.00 0.00 0.00 175.76 173.82 3gbm s TRP 148 N 0.61 3.18 -0.04 0.00 0.52 -1.26 -3.61 118.94 118.34 3gbm s TRP 148 Ca -0.01 -0.03 -0.30 0.00 0.02 0.00 0.00 56.10 55.78 3gbm s TRP 148 Cb -0.05 -2.01 0.07 0.00 -1.15 0.00 0.00 33.47 30.34 3gbm s TRP 148 CO -0.10 0.13 0.70 0.21 0.02 0.00 0.00 176.95 177.91 3gbm s LYS 149 N 0.23 1.04 0.00 4.98 2.20 -1.26 -4.89 119.74 122.04 3gbm s LYS 149 Ca 0.02 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 3gbm s LYS 149 Cb -0.13 0.49 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 3gbm s LYS 149 CO 0.01 -0.34 0.00 0.00 -0.36 0.00 0.00 175.35 174.66 3gbm n ALA 150 N 0.78 1.06 -1.12 3.13 0.00 -1.26 -2.74 120.51 120.37 3gbm n ALA 150 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3gbm n ALA 150 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3gbm n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbm n ALA 157 N -0.57 -1.00 0.00 0.00 0.00 -1.26 -4.77 120.51 112.90 3gbm n ALA 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gbm n ALA 157 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3gbm n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbm n GLY 158 N 0.90 1.61 3.69 0.00 0.00 -1.26 -5.03 105.19 105.10 3gbm n GLY 158 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gbm n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gbm s VAL 159 N -1.94 4.90 -0.04 1.61 -7.23 -1.26 -3.23 120.40 113.21 3gbm s VAL 159 Ca 0.00 1.75 0.07 0.00 -1.81 0.00 0.00 61.98 61.99 3gbm s VAL 159 Cb 0.00 -4.19 -0.02 0.00 0.56 0.00 0.00 36.38 32.74 3gbm s VAL 159 CO 0.00 0.11 -0.24 -1.61 -0.31 0.00 0.00 175.10 173.05 3gbm s GLU 160 N 1.54 2.31 -0.05 4.82 0.41 -0.77 -5.00 118.70 121.95 3gbm s GLU 160 Ca 0.43 -0.89 -0.08 0.00 -0.41 0.00 0.00 54.97 54.02 3gbm s GLU 160 Cb -0.18 -2.13 0.01 0.00 -1.78 0.00 0.00 34.13 30.05 3gbm s GLU 160 CO 0.18 0.51 0.19 0.99 -0.49 0.00 0.00 175.26 176.65 3gbm s THR 161 N -0.48 0.03 0.48 3.63 2.01 -1.26 -1.28 115.64 118.77 3gbm s THR 161 Ca 0.06 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.85 3gbm s THR 161 Cb -0.11 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.06 3gbm s THR 161 CO 0.01 -0.14 0.67 0.42 -0.69 0.00 0.00 174.62 174.88 3gbm s THR 162 N -0.48 2.83 0.53 -0.82 -4.23 -1.11 -5.05 115.64 107.31 3gbm s THR 162 Ca -0.06 -0.86 -0.20 0.00 -1.18 0.00 0.00 61.69 59.40 3gbm s THR 162 Cb -0.04 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.77 3gbm s THR 162 CO 0.01 0.00 1.10 -0.89 -0.54 0.00 0.00 174.62 174.30 3gbm s THR 163 N -2.54 3.33 0.44 3.99 2.01 -1.26 -4.77 115.64 116.84 3gbm s THR 163 Ca 0.56 0.83 -0.24 0.00 0.31 0.00 0.00 61.69 63.15 3gbm s THR 163 Cb -0.10 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 3gbm s THR 163 CO 0.36 -0.18 1.03 -2.65 -0.69 0.00 0.00 174.62 172.49 3gbm n PRO 164 N -1.23 1.37 -3.77 4.92 -0.02 -1.26 -4.68 135.00 130.33 3gbm n PRO 164 Ca 0.11 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 3gbm n PRO 164 Cb 0.51 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.82 3gbm n PRO 164 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3gbm s SER 165 N -0.76 -0.18 0.08 2.55 1.04 -0.93 -4.95 113.70 110.54 3gbm s SER 165 Ca 0.64 0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.84 3gbm s SER 165 Cb -0.54 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 65.84 3gbm s SER 165 CO 0.56 -0.44 1.03 -1.59 0.98 0.00 0.00 173.24 173.78 3gbm s LYS 166 N -1.32 4.59 0.57 4.02 0.00 -1.26 -0.28 119.74 126.06 3gbm s LYS 166 Ca -0.14 1.54 -0.03 0.00 0.00 0.00 0.00 55.97 57.35 3gbm s LYS 166 Cb -0.05 -3.38 0.02 0.00 0.00 0.00 0.00 37.83 34.42 3gbm s LYS 166 CO 0.04 0.03 0.83 -0.65 0.00 0.00 0.00 175.35 175.60 3gbm s GLN 167 N 0.42 2.72 0.22 1.78 -0.21 0.86 -4.90 119.66 120.56 3gbm s GLN 167 Ca 0.51 -0.38 -0.10 0.00 0.02 0.00 0.00 55.36 55.41 3gbm s GLN 167 Cb -0.25 -2.38 0.33 0.00 1.00 0.00 0.00 33.01 31.71 3gbm s GLN 167 CO 0.30 -0.70 1.67 0.77 -2.12 0.00 0.00 175.29 175.22 3gbm h SER 168 N -0.05 -0.18 0.00 5.90 0.02 -1.97 -1.18 113.55 116.09 3gbm h SER 168 Ca -0.45 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3gbm h SER 168 Cb 1.28 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.06 3gbm h SER 168 CO 0.57 -0.09 0.00 -0.46 -1.14 0.00 0.00 176.83 175.72 3gbm n ASN 170 N -5.24 0.26 0.00 3.07 0.23 -1.26 -4.86 115.26 107.46 3gbm n ASN 170 Ca 0.10 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 3gbm n ASN 170 Cb 0.37 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 3gbm n ASN 170 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3gbm n ASN 171 N -0.30 -0.86 -4.11 0.53 4.13 -0.45 -4.99 115.26 109.21 3gbm n ASN 171 Ca 0.00 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.96 3gbm n ASN 171 Cb 0.07 -2.00 0.19 0.00 -1.54 0.00 0.00 39.78 36.50 3gbm n ASN 171 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3gbm s LYS 172 N -0.86 0.61 0.41 3.52 3.01 -1.26 -4.80 119.74 120.36 3gbm s LYS 172 Ca 0.00 -0.44 0.07 0.00 -1.01 0.00 0.00 55.97 54.59 3gbm s LYS 172 Cb 0.00 -1.85 -0.05 0.00 -1.01 0.00 0.00 37.83 34.92 3gbm s LYS 172 CO 0.00 -2.43 0.17 0.71 0.51 0.00 0.00 175.35 174.31 3gbm s TYR 173 N -3.89 2.61 -0.05 3.18 1.51 -0.51 -0.09 117.35 120.10 3gbm s TYR 173 Ca 0.74 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 56.21 3gbm s TYR 173 Cb -0.04 -1.92 0.04 0.00 -0.11 0.00 0.00 41.96 39.93 3gbm s TYR 173 CO 0.53 0.21 0.10 0.00 -1.11 0.00 0.00 175.55 175.28 3gbm s ALA 174 N -2.59 -0.07 0.24 3.71 0.00 0.62 -2.34 121.76 121.33 3gbm s ALA 174 Ca 0.41 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.90 3gbm s ALA 174 Cb 0.03 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3gbm s ALA 174 CO 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 175.76 175.68 3gbm s ALA 175 N 1.43 2.04 0.05 0.00 0.00 -0.73 -2.19 121.76 122.36 3gbm s ALA 175 Ca -0.06 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.14 3gbm s ALA 175 Cb -0.12 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3gbm s ALA 175 CO -0.05 -0.10 -0.05 -1.12 0.00 0.00 0.00 175.76 174.44 3gbm s SER 176 N -3.35 0.66 -0.26 0.00 0.01 -1.26 -1.95 113.70 107.55 3gbm s SER 176 Ca 0.26 -0.78 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 3gbm s SER 176 Cb 0.03 0.11 0.09 0.00 0.21 0.00 0.00 66.02 66.47 3gbm s SER 176 CO 0.09 -0.41 0.60 -0.55 0.41 0.00 0.00 173.24 173.38 3gbm s SER 177 N -2.29 -0.85 -0.08 2.44 0.15 0.94 -2.75 113.70 111.25 3gbm s SER 177 Ca -0.01 1.37 0.04 0.00 0.70 0.00 0.00 55.95 58.05 3gbm s SER 177 Cb -0.01 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 3gbm s SER 177 CO -0.04 -0.23 -0.20 -0.31 1.20 0.00 0.00 173.24 173.66 3gbm s TYR 178 N 2.05 2.11 -0.29 3.44 1.51 -0.40 -0.06 117.35 125.71 3gbm s TYR 178 Ca -0.08 -0.79 -0.04 0.00 -1.01 0.00 0.00 57.07 55.15 3gbm s TYR 178 Cb -0.08 -1.44 0.03 0.00 -0.11 0.00 0.00 41.96 40.36 3gbm s TYR 178 CO -0.18 -0.32 0.02 -0.48 -1.11 0.00 0.00 175.55 173.48 3gbm s LEU 179 N 0.33 3.71 0.52 -1.29 -0.00 -0.45 -1.86 118.68 119.64 3gbm s LEU 179 Ca -0.14 -0.94 -0.14 0.00 -0.00 0.00 0.00 54.13 52.91 3gbm s LEU 179 Cb -0.16 -1.77 -0.07 0.00 -0.00 0.00 0.00 46.19 44.19 3gbm s LEU 179 CO 0.06 -0.20 0.96 -0.44 -0.00 0.00 0.00 176.35 176.73 3gbm s SER 180 N 1.38 6.53 0.22 1.48 0.01 -1.20 -0.39 113.70 121.73 3gbm s SER 180 Ca -0.00 1.47 -0.14 0.00 1.31 0.00 0.00 55.95 58.58 3gbm s SER 180 Cb -0.18 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.63 3gbm s SER 180 CO -0.00 -0.62 0.70 0.18 0.41 0.00 0.00 173.24 173.91 3gbm n LEU 181 N -1.78 0.00 -4.72 2.44 4.77 -0.08 -4.93 117.00 112.69 3gbm n LEU 181 Ca 0.06 -1.57 -0.23 0.00 -0.03 0.00 0.00 56.01 54.24 3gbm n LEU 181 Cb 0.54 2.57 -0.06 0.00 -2.33 0.00 0.00 43.42 44.14 3gbm n LEU 181 CO 0.49 -0.52 -0.23 0.42 -1.33 0.00 0.00 177.39 176.21 3gbm s THR 182 N -2.24 3.40 0.55 -5.08 -4.23 -1.26 -2.62 115.64 104.16 3gbm s THR 182 Ca 0.15 -1.72 0.35 0.00 -1.18 0.00 0.00 61.69 59.30 3gbm s THR 182 Cb -0.03 -3.00 0.52 0.00 1.34 0.00 0.00 72.50 71.33 3gbm s THR 182 CO 0.07 -0.27 1.78 -0.65 -0.54 0.00 0.00 174.62 175.00 3gbm h PRO 183 N 1.65 0.00 0.03 3.99 0.11 -1.84 -2.91 132.00 133.03 3gbm h PRO 183 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 3gbm h PRO 183 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3gbm h PRO 183 CO 0.62 0.00 -0.74 0.93 -0.21 0.00 0.00 178.00 178.59 3gbm h GLU 184 N 0.00 0.06 -0.43 1.05 3.07 -1.97 -3.30 114.58 113.06 3gbm h GLU 184 Ca 0.52 -0.11 0.12 0.00 -0.50 0.00 0.00 59.36 59.40 3gbm h GLU 184 Cb 2.19 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 30.12 3gbm h GLU 184 CO -0.01 1.05 0.42 1.96 -1.40 0.00 0.00 179.01 181.04 3gbm h GLN 185 N -0.84 0.00 -0.00 2.33 4.20 -1.85 0.96 115.11 119.92 3gbm h GLN 185 Ca -0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 3gbm h GLN 185 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3gbm h GLN 185 CO -0.05 0.00 -0.01 2.35 -0.67 0.00 0.00 178.83 180.44 3gbm h TRP 186 N 0.00 0.02 -0.32 2.96 7.01 -1.69 -3.32 115.95 120.60 3gbm h TRP 186 Ca 0.20 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.25 3gbm h TRP 186 Cb 1.05 -0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 28.06 3gbm h TRP 186 CO 0.00 0.79 0.04 0.87 -2.79 0.00 0.00 178.44 177.35 3gbm h LYS 187 N -0.76 0.15 -4.79 2.65 1.57 -1.20 -3.32 116.57 110.87 3gbm h LYS 187 Ca -0.00 -0.01 -0.70 0.00 -1.87 0.00 0.00 60.65 58.07 3gbm h LYS 187 Cb 0.79 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 3gbm h LYS 187 CO 0.00 0.10 2.74 -1.13 -0.57 0.00 0.00 179.45 180.59 3gbm n SER 188 N -5.11 4.31 0.00 0.86 3.41 0.17 -4.82 113.62 112.43 3gbm n SER 188 Ca 0.01 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 3gbm n SER 188 Cb 0.15 -1.69 0.00 0.00 -0.26 0.00 0.00 64.21 62.40 3gbm n SER 188 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3gbm n HIS 189 N 7.11 0.00 0.11 7.33 8.25 -1.25 -4.87 115.22 131.90 3gbm n HIS 189 Ca 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.92 3gbm n HIS 189 Cb 0.42 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 3gbm n HIS 189 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gbm h ARG 190 N 0.00 -0.30 -3.07 -0.41 2.47 -1.89 -3.48 114.38 107.68 3gbm h ARG 190 Ca 0.00 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3gbm h ARG 190 Cb 0.00 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 3gbm h ARG 190 CO 0.00 -0.20 0.24 -1.54 0.56 0.00 0.00 179.97 179.03 3gbm s SER 191 N -3.84 0.06 0.03 7.04 1.04 -1.26 -4.82 113.70 111.95 3gbm s SER 191 Ca -0.05 -1.16 0.05 0.00 0.48 0.00 0.00 55.95 55.28 3gbm s SER 191 Cb 0.00 0.84 -0.02 0.00 0.10 0.00 0.00 66.02 66.94 3gbm s SER 191 CO 0.14 -1.66 -0.15 -0.31 0.98 0.00 0.00 173.24 172.24 3gbm s TYR 192 N -2.40 1.28 0.53 5.02 1.51 -1.24 -4.44 117.35 117.61 3gbm s TYR 192 Ca 0.16 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 3gbm s TYR 192 Cb -0.05 -0.77 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 3gbm s TYR 192 CO 0.12 0.03 0.38 -1.54 -1.11 0.00 0.00 175.55 173.43 3gbm s SER 193 N -1.05 4.62 -0.45 2.29 1.04 -1.11 -4.07 113.70 114.98 3gbm s SER 193 Ca 0.03 -1.24 0.07 0.00 0.48 0.00 0.00 55.95 55.29 3gbm s SER 193 Cb -0.08 0.34 0.25 0.00 0.10 0.00 0.00 66.02 66.64 3gbm s SER 193 CO 0.01 -1.05 0.78 0.00 0.98 0.00 0.00 173.24 173.96 3gbm s GLN 195 N -0.11 2.56 -0.61 0.00 1.11 -1.24 -4.61 119.66 116.77 3gbm s GLN 195 Ca 0.33 0.61 -0.01 0.00 0.01 0.00 0.00 55.36 56.29 3gbm s GLN 195 Cb 0.22 -4.46 0.16 0.00 -1.01 0.00 0.00 33.01 27.92 3gbm s GLN 195 CO -0.18 -2.85 0.41 0.08 0.01 0.00 0.00 175.29 172.76 3gbm s VAL 196 N 9.48 3.49 0.87 1.09 1.01 -1.26 -3.46 120.40 131.63 3gbm s VAL 196 Ca 0.70 -3.05 -0.11 0.00 0.00 0.00 0.00 61.98 59.52 3gbm s VAL 196 Cb -0.13 -3.30 0.12 0.00 0.00 0.00 0.00 36.38 33.07 3gbm s VAL 196 CO 0.19 -0.86 1.10 -0.89 0.00 0.00 0.00 175.10 174.64 3gbm s THR 197 N -0.14 2.69 0.00 3.92 2.01 -1.09 -3.64 115.64 119.39 3gbm s THR 197 Ca 0.17 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3gbm s THR 197 Cb -0.21 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.77 3gbm s THR 197 CO -0.03 -0.29 0.77 1.57 -0.69 0.00 0.00 174.62 175.95 3gbm n HIS 198 N -3.93 0.00 -3.26 4.92 -0.00 -1.26 -3.72 115.22 107.97 3gbm n HIS 198 Ca 0.09 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.11 3gbm n HIS 198 Cb 0.53 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.47 3gbm n HIS 198 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 3gbm n GLU 199 N 0.00 -5.84 0.00 1.57 0.00 -1.26 -4.99 120.64 110.12 3gbm n GLU 199 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.83 3gbm n GLU 199 Cb 0.62 -5.19 0.00 0.00 0.00 0.00 0.00 31.44 26.87 3gbm n GLU 199 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3gbm n SER 203 N -2.38 0.00 -4.56 -1.84 3.41 -1.26 -5.16 113.62 101.83 3gbm n SER 203 Ca -0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.37 3gbm n SER 203 Cb 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 3gbm n SER 203 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gbm n THR 204 N 0.00 0.00 -2.54 6.66 -1.04 -1.26 -4.73 114.28 111.37 3gbm n THR 204 Ca 0.00 -0.30 -0.43 0.00 -2.04 0.00 0.00 64.05 61.28 3gbm n THR 204 Cb 0.00 -1.93 -0.02 0.00 -1.82 0.00 0.00 70.33 66.56 3gbm n THR 204 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3gbm s VAL 205 N 15.46 4.46 0.15 12.58 1.01 -1.24 -4.80 120.40 148.02 3gbm s VAL 205 Ca 0.88 1.76 0.07 0.00 0.00 0.00 0.00 61.98 64.69 3gbm s VAL 205 Cb -0.11 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3gbm s VAL 205 CO 0.13 -0.06 -0.15 -0.70 0.00 0.00 0.00 175.10 174.32 3gbm s GLU 206 N 2.61 1.16 0.18 2.72 2.12 -1.26 -4.06 118.70 122.17 3gbm s GLU 206 Ca 0.52 -1.37 -0.07 0.00 0.36 0.00 0.00 54.97 54.41 3gbm s GLU 206 Cb -0.21 -1.06 -0.02 0.00 0.26 0.00 0.00 34.13 33.10 3gbm s GLU 206 CO 0.17 0.20 0.25 -1.59 -0.54 0.00 0.00 175.26 173.75 3gbm s LYS 207 N -2.97 1.19 0.00 4.30 0.00 -1.26 -5.04 119.74 115.96 3gbm s LYS 207 Ca 0.14 -1.31 -0.29 0.00 0.00 0.00 0.00 55.97 54.51 3gbm s LYS 207 Cb -0.04 0.35 0.07 0.00 0.00 0.00 0.00 37.83 38.22 3gbm s LYS 207 CO 0.05 -0.43 0.68 0.99 0.00 0.00 0.00 175.35 176.64 3gbm s THR 208 N -4.02 0.00 0.32 3.79 2.01 -1.26 -3.79 115.64 112.68 3gbm s THR 208 Ca 0.23 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.29 3gbm s THR 208 Cb 0.04 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 3gbm s THR 208 CO 0.04 0.00 0.28 0.68 -0.69 0.00 0.00 174.62 174.93 3gbm s VAL 209 N -1.95 0.00 0.04 3.82 -7.23 -1.26 -5.02 120.40 108.80 3gbm s VAL 209 Ca -0.07 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 57.87 3gbm s VAL 209 Cb -0.00 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.52 3gbm s VAL 209 CO 0.03 0.00 0.79 0.00 -0.31 0.00 0.00 175.10 175.61 3gbm s ALA 210 N -3.50 -1.75 -2.00 1.32 0.00 -1.26 -3.60 121.76 110.97 3gbm s ALA 210 Ca 0.40 0.90 0.24 0.00 0.00 0.00 0.00 51.96 53.49 3gbm s ALA 210 Cb 0.03 0.48 1.42 0.00 0.00 0.00 0.00 23.12 25.05 3gbm s ALA 210 CO 0.25 -0.67 1.79 -0.35 0.00 0.00 0.00 175.76 176.78