#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbm s VAL 2 N 0.00 2.79 -0.11 3.84 1.01 -1.26 -5.01 120.40 121.65 3gbm s VAL 2 Ca 0.00 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.78 3gbm s VAL 2 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 3gbm s VAL 2 CO 0.00 0.18 -0.21 -1.10 0.00 0.00 0.00 175.10 173.97 3gbm s GLN 3 N -1.56 3.16 -0.22 2.72 -0.21 -1.26 -4.97 119.66 117.31 3gbm s GLN 3 Ca 0.50 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.99 3gbm s GLN 3 Cb -0.39 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 3gbm s GLN 3 CO 0.51 0.19 0.06 -0.51 -2.12 0.00 0.00 175.29 173.41 3gbm s LEU 4 N 0.35 3.52 -0.11 2.90 1.43 -1.26 -1.42 118.68 124.10 3gbm s LEU 4 Ca -0.16 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3gbm s LEU 4 Cb -0.17 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.13 3gbm s LEU 4 CO 0.08 0.04 -0.20 -0.69 0.23 0.00 0.00 176.35 175.80 3gbm s VAL 5 N 1.16 1.86 0.22 -1.59 1.01 0.31 -4.33 120.40 119.04 3gbm s VAL 5 Ca 0.04 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.23 3gbm s VAL 5 Cb -0.14 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3gbm s VAL 5 CO 0.03 0.51 -0.01 -1.61 0.00 0.00 0.00 175.10 174.02 3gbm s GLU 6 N 0.64 2.31 1.05 2.72 2.02 -1.26 0.41 118.70 126.59 3gbm s GLU 6 Ca -0.13 -1.28 -0.16 0.00 0.02 0.00 0.00 54.97 53.42 3gbm s GLU 6 Cb -0.16 -2.24 0.22 0.00 0.10 0.00 0.00 34.13 32.05 3gbm s GLU 6 CO 0.03 0.41 1.17 -1.54 0.02 0.00 0.00 175.26 175.35 3gbm s SER 7 N -3.32 2.29 1.03 -0.19 1.04 -1.00 -4.99 113.70 108.56 3gbm s SER 7 Ca 0.29 0.65 -0.14 0.00 0.48 0.00 0.00 55.95 57.23 3gbm s SER 7 Cb -0.08 -0.95 0.20 0.00 0.10 0.00 0.00 66.02 65.29 3gbm s SER 7 CO 0.19 -3.28 1.12 -0.83 0.98 0.00 0.00 173.24 171.42 3gbm s GLY 8 N -4.17 1.58 0.53 7.32 0.00 -1.26 -4.81 107.32 106.50 3gbm s GLY 8 Ca 0.70 -0.60 -0.21 0.00 0.00 0.00 0.00 44.72 44.60 3gbm s GLY 8 CO 0.55 0.07 1.05 0.00 0.00 0.00 0.00 173.10 174.77 3gbm n ALA 9 N -4.20 0.45 -2.70 3.20 0.00 -1.26 -4.72 120.51 111.27 3gbm n ALA 9 Ca 0.08 0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 3gbm n ALA 9 Cb 0.58 -2.14 -0.16 0.00 0.00 0.00 0.00 19.45 17.73 3gbm n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gbm s GLU 10 N -2.50 1.79 -0.05 0.00 0.41 0.13 -4.98 118.70 113.51 3gbm s GLU 10 Ca 0.70 -0.68 0.04 0.00 -0.41 0.00 0.00 54.97 54.62 3gbm s GLU 10 Cb -0.46 -1.61 -0.00 0.00 -1.78 0.00 0.00 34.13 30.27 3gbm s GLU 10 CO 0.51 0.33 -0.16 0.08 -0.49 0.00 0.00 175.26 175.53 3gbm s VAL 11 N -0.18 1.36 -0.16 2.63 1.01 -1.26 -1.31 120.40 122.48 3gbm s VAL 11 Ca 0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 3gbm s VAL 11 Cb -0.10 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.15 3gbm s VAL 11 CO 0.01 0.40 0.46 -0.54 0.00 0.00 0.00 175.10 175.43 3gbm s LYS 12 N 0.12 0.56 0.27 2.72 -0.14 -0.69 -4.99 119.74 117.59 3gbm s LYS 12 Ca -0.05 0.58 -0.29 0.00 -1.36 0.00 0.00 55.97 54.85 3gbm s LYS 12 Cb -0.12 0.27 -0.09 0.00 -1.68 0.00 0.00 37.83 36.21 3gbm s LYS 12 CO 0.02 -0.08 1.02 0.15 -0.76 0.00 0.00 175.35 175.71 3gbm s LYS 13 N 0.12 4.70 0.55 1.68 -0.14 -1.25 -1.36 119.74 124.04 3gbm s LYS 13 Ca -0.01 1.63 -0.22 0.00 -1.36 0.00 0.00 55.97 56.01 3gbm s LYS 13 Cb -0.03 -3.16 -0.05 0.00 -1.68 0.00 0.00 37.83 32.91 3gbm s LYS 13 CO 0.01 0.32 1.37 -1.25 -0.76 0.00 0.00 175.35 175.04 3gbm s PRO 14 N -1.44 3.08 0.00 -1.68 0.04 -1.25 -2.74 135.00 131.01 3gbm s PRO 14 Ca 0.44 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.74 3gbm s PRO 14 Cb -0.28 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.02 3gbm s PRO 14 CO 0.35 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.56 3gbm n GLY 15 N 0.74 2.63 0.00 0.56 0.00 -0.28 -4.91 105.19 103.94 3gbm n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3gbm n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gbm n SER 16 N 0.00 0.00 -4.18 1.61 3.41 -1.11 -4.17 113.62 109.19 3gbm n SER 16 Ca 0.00 -0.11 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 3gbm n SER 16 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3gbm n SER 16 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3gbm s SER 17 N -1.00 1.38 -0.00 4.04 0.01 -1.26 -1.32 113.70 115.55 3gbm s SER 17 Ca 0.00 -0.86 0.02 0.00 1.31 0.00 0.00 55.95 56.42 3gbm s SER 17 Cb 0.00 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 3gbm s SER 17 CO 0.00 -0.31 -0.08 0.54 0.41 0.00 0.00 173.24 173.80 3gbm s VAL 18 N -2.75 0.63 -0.29 3.43 0.11 -0.70 -5.00 120.40 115.83 3gbm s VAL 18 Ca 0.07 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 3gbm s VAL 18 Cb -0.01 -0.53 0.08 0.00 -1.53 0.00 0.00 36.38 34.38 3gbm s VAL 18 CO -0.01 0.16 -0.03 -0.75 -3.33 0.00 0.00 175.10 171.14 3gbm s LYS 19 N -0.23 1.73 -0.06 1.54 2.20 -1.26 -1.36 119.74 122.30 3gbm s LYS 19 Ca 0.03 -1.43 -0.05 0.00 -0.36 0.00 0.00 55.97 54.15 3gbm s LYS 19 Cb -0.03 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 3gbm s LYS 19 CO -0.00 -0.73 0.17 0.08 -0.36 0.00 0.00 175.35 174.50 3gbm s VAL 20 N 1.13 5.46 0.37 4.02 1.01 -0.18 -4.91 120.40 127.31 3gbm s VAL 20 Ca -0.00 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3gbm s VAL 20 Cb -0.19 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3gbm s VAL 20 CO -0.08 0.47 0.11 -0.94 0.00 0.00 0.00 175.10 174.66 3gbm s SER 21 N -1.50 4.42 -0.27 3.32 1.04 -1.26 -0.78 113.70 118.67 3gbm s SER 21 Ca 0.21 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 3gbm s SER 21 Cb -0.12 -0.57 0.15 0.00 0.10 0.00 0.00 66.02 65.58 3gbm s SER 21 CO 0.12 -0.37 0.45 0.00 0.98 0.00 0.00 173.24 174.41 3gbm s LYS 23 N 2.64 4.04 -0.11 0.00 2.20 0.17 -1.81 119.74 126.87 3gbm s LYS 23 Ca 0.15 0.09 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 3gbm s LYS 23 Cb -0.15 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 3gbm s LYS 23 CO -0.19 0.42 -0.03 0.00 -0.36 0.00 0.00 175.35 175.19 3gbm s ALA 24 N -0.09 3.11 0.75 3.13 0.00 -0.88 -0.53 121.76 127.25 3gbm s ALA 24 Ca 0.17 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 3gbm s ALA 24 Cb -0.13 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.58 3gbm s ALA 24 CO 0.05 0.45 1.08 -1.54 0.00 0.00 0.00 175.76 175.80 3gbm s SER 25 N -0.41 4.95 0.10 0.00 1.04 -0.50 -4.83 113.70 114.05 3gbm s SER 25 Ca 0.07 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.94 3gbm s SER 25 Cb -0.12 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.75 3gbm s SER 25 CO 0.02 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.16 3gbm n GLY 26 N -2.09 -0.52 7.00 7.32 0.00 -1.26 -4.64 105.19 111.00 3gbm n GLY 26 Ca 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3gbm n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbm n GLY 27 N 0.00 2.70 0.33 -0.02 0.00 -1.26 -4.78 105.19 102.17 3gbm n GLY 27 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 3gbm n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gbm h PRO 28 N 0.00 1.15 -7.03 1.61 0.13 -1.89 -3.49 132.00 122.48 3gbm h PRO 28 Ca 0.00 -0.07 -0.51 0.00 -0.87 0.00 0.00 66.00 64.55 3gbm h PRO 28 Cb 0.00 -0.26 0.08 0.00 0.13 0.00 0.00 31.00 30.95 3gbm h PRO 28 CO 0.00 0.76 0.49 -0.06 -0.23 0.00 0.00 178.00 178.96 3gbm s PHE 29 N -6.13 2.75 0.08 1.56 0.40 -1.25 -4.33 117.98 111.06 3gbm s PHE 29 Ca -0.13 1.52 0.08 0.00 -0.60 0.00 0.00 56.93 57.80 3gbm s PHE 29 Cb 0.16 -3.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.24 3gbm s PHE 29 CO 0.80 -1.72 -0.21 1.03 0.70 0.00 0.00 175.22 175.83 3gbm s ARG 30 N -2.85 1.19 0.00 0.44 0.52 -1.26 -5.03 118.95 111.96 3gbm s ARG 30 Ca 0.67 -1.09 0.23 0.00 -0.52 0.00 0.00 55.73 55.03 3gbm s ARG 30 Cb -0.29 -1.40 0.44 0.00 0.52 0.00 0.00 34.95 34.22 3gbm s ARG 30 CO 0.35 0.34 1.41 -1.13 0.02 0.00 0.00 175.30 176.29 3gbm n SER 31 N 1.33 3.53 -4.32 0.23 3.41 -1.26 -4.74 113.62 111.80 3gbm n SER 31 Ca -0.19 -2.00 -0.18 0.00 -0.26 0.00 0.00 58.87 56.24 3gbm n SER 31 Cb 0.53 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 3gbm n SER 31 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3gbm s TYR 32 N -1.47 1.62 0.44 7.33 -0.85 -1.26 -3.71 117.35 119.45 3gbm s TYR 32 Ca 0.40 -0.58 -0.17 0.00 -0.52 0.00 0.00 57.07 56.19 3gbm s TYR 32 Cb 0.23 -0.78 -0.09 0.00 0.38 0.00 0.00 41.96 41.70 3gbm s TYR 32 CO 0.32 0.29 0.91 0.00 -1.52 0.00 0.00 175.55 175.55 3gbm s ALA 33 N -2.78 3.12 0.00 9.51 0.00 -0.65 -4.38 121.76 126.58 3gbm s ALA 33 Ca 0.19 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.42 3gbm s ALA 33 Cb -0.02 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 3gbm s ALA 33 CO 0.05 0.01 -0.23 0.42 0.00 0.00 0.00 175.76 176.01 3gbm s ILE 34 N -2.34 1.82 0.35 0.00 1.01 -1.07 -2.03 121.20 118.94 3gbm s ILE 34 Ca 0.59 -1.07 0.09 0.00 0.00 0.00 0.00 60.65 60.25 3gbm s ILE 34 Cb -0.10 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 3gbm s ILE 34 CO 0.22 0.44 -0.07 -0.44 0.00 0.00 0.00 174.94 175.09 3gbm s SER 35 N -0.75 3.59 -0.05 3.58 0.01 0.23 -0.97 113.70 119.34 3gbm s SER 35 Ca 0.09 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 56.15 3gbm s SER 35 Cb -0.09 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 3gbm s SER 35 CO 0.00 -0.27 -0.13 0.26 0.41 0.00 0.00 173.24 173.50 3gbm s TRP 36 N -2.70 2.73 -0.02 2.43 0.52 -0.14 -0.65 118.94 121.11 3gbm s TRP 36 Ca 0.33 -0.13 -0.00 0.00 0.02 0.00 0.00 56.10 56.31 3gbm s TRP 36 Cb 0.04 -1.63 0.03 0.00 -1.15 0.00 0.00 33.47 30.75 3gbm s TRP 36 CO 0.16 0.21 0.04 0.08 0.02 0.00 0.00 176.95 177.46 3gbm s VAL 37 N -0.75 -0.05 0.31 4.03 1.01 -0.51 -0.92 120.40 123.52 3gbm s VAL 37 Ca 0.12 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.37 3gbm s VAL 37 Cb -0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 3gbm s VAL 37 CO 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 175.10 175.16 3gbm s ARG 38 N 0.90 2.09 -0.25 2.72 1.70 0.04 -0.36 118.95 125.78 3gbm s ARG 38 Ca -0.07 -1.65 -0.02 0.00 -0.47 0.00 0.00 55.73 53.51 3gbm s ARG 38 Cb -0.11 -1.98 0.11 0.00 -0.57 0.00 0.00 34.95 32.41 3gbm s ARG 38 CO -0.03 0.23 0.25 -1.14 -1.08 0.00 0.00 175.30 173.54 3gbm s GLN 39 N -3.68 0.25 0.45 3.89 0.74 0.34 -0.19 119.66 121.46 3gbm s GLN 39 Ca 0.33 0.03 -0.24 0.00 0.05 0.00 0.00 55.36 55.53 3gbm s GLN 39 Cb -0.03 -0.94 -0.08 0.00 1.10 0.00 0.00 33.01 33.07 3gbm s GLN 39 CO 0.19 -0.83 1.23 0.00 -0.55 0.00 0.00 175.29 175.33 3gbm s ALA 40 N 2.34 3.06 0.14 1.58 0.00 -1.26 -1.42 121.76 126.20 3gbm s ALA 40 Ca 0.08 1.08 -0.33 0.00 0.00 0.00 0.00 51.96 52.80 3gbm s ALA 40 Cb -0.15 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.41 3gbm s ALA 40 CO -0.23 -0.78 1.74 -0.35 0.00 0.00 0.00 175.76 176.14 3gbm n PRO 41 N -0.29 2.54 -0.99 0.00 -0.04 -1.26 -0.93 135.00 134.03 3gbm n PRO 41 Ca 0.06 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 3gbm n PRO 41 Cb 0.46 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 3gbm n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gbm n GLY 42 N 3.94 0.59 3.72 0.55 0.00 -1.26 -5.04 105.19 107.69 3gbm n GLY 42 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3gbm n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gbm s GLN 43 N -0.11 2.12 0.69 1.61 -0.21 -0.11 -5.15 119.66 118.50 3gbm s GLN 43 Ca 0.00 -2.27 -0.11 0.00 0.02 0.00 0.00 55.36 53.00 3gbm s GLN 43 Cb 0.00 -1.60 0.00 0.00 1.00 0.00 0.00 33.01 32.41 3gbm s GLN 43 CO 0.00 -0.25 1.07 0.20 -2.12 0.00 0.00 175.29 174.19 3gbm s GLY 44 N -3.83 1.64 0.59 3.09 0.00 -1.26 -4.73 107.32 102.82 3gbm s GLY 44 Ca 0.18 -0.21 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 3gbm s GLY 44 CO 0.09 0.13 1.08 2.56 0.00 0.00 0.00 173.10 176.96 3gbm s PRO 45 N -5.26 3.25 -0.03 2.90 0.04 -1.26 -4.48 135.00 130.17 3gbm s PRO 45 Ca 0.57 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.99 3gbm s PRO 45 Cb -0.12 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3gbm s PRO 45 CO 0.53 -0.88 -0.16 -1.83 0.04 0.00 0.00 177.00 174.71 3gbm s GLU 46 N -3.86 1.46 0.04 4.56 -1.05 0.73 -4.97 118.70 115.61 3gbm s GLU 46 Ca 0.66 -0.55 -0.30 0.00 -0.15 0.00 0.00 54.97 54.64 3gbm s GLU 46 Cb -0.18 -1.33 -0.04 0.00 -0.44 0.00 0.00 34.13 32.13 3gbm s GLU 46 CO 0.34 0.27 0.96 -0.46 0.95 0.00 0.00 175.26 177.32 3gbm s TRP 47 N -0.12 3.72 -0.26 4.83 -0.00 -1.26 -0.78 118.94 125.06 3gbm s TRP 47 Ca 0.01 1.72 -0.07 0.00 -0.00 0.00 0.00 56.10 57.75 3gbm s TRP 47 Cb -0.09 -3.07 -0.14 0.00 -0.00 0.00 0.00 33.47 30.17 3gbm s TRP 47 CO 0.01 0.09 -0.30 -1.33 -0.00 0.00 0.00 176.95 175.42 3gbm n MET 48 N 3.41 0.60 0.00 5.86 2.81 -0.10 -4.61 117.12 125.09 3gbm n MET 48 Ca 0.04 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 3gbm n MET 48 Cb 0.50 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3gbm n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gbm n GLY 49 N 1.70 0.29 3.36 3.03 0.00 -1.20 -1.08 105.19 111.29 3gbm n GLY 49 Ca -0.50 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 3gbm n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gbm s GLY 50 N 0.00 1.15 -0.04 -0.02 0.00 0.29 -0.97 107.32 107.73 3gbm s GLY 50 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 44.72 43.35 3gbm s GLY 50 CO 0.00 -1.10 -0.14 -1.50 0.00 0.00 0.00 173.10 170.36 3gbm s ILE 51 N -4.02 1.19 -0.15 0.90 2.07 -0.15 -1.05 121.20 119.99 3gbm s ILE 51 Ca 0.33 -0.58 -0.13 0.00 -1.41 0.00 0.00 60.65 58.86 3gbm s ILE 51 Cb 0.04 -1.04 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 3gbm s ILE 51 CO 0.12 0.35 0.29 -0.63 -1.91 0.00 0.00 174.94 173.16 3gbm s ILE 52 N 0.15 5.30 0.51 2.00 1.01 -0.09 -2.60 121.20 127.47 3gbm s ILE 52 Ca -0.05 0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.95 3gbm s ILE 52 Cb -0.11 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 3gbm s ILE 52 CO 0.02 0.41 1.09 -2.16 0.00 0.00 0.00 174.94 174.30 3gbm s PRO 52 N 0.28 3.60 0.00 2.79 0.04 -1.26 -0.26 135.00 140.19 3gbm s PRO 52 Ca 0.17 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3gbm s PRO 52 Cb -0.13 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3gbm s PRO 52 CO 0.04 -0.62 0.00 -0.89 0.04 0.00 0.00 177.00 175.57 3gbm n ILE 53 N -1.06 0.00 -0.19 0.56 5.41 -1.26 -4.28 119.36 118.54 3gbm n ILE 53 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.80 3gbm n ILE 53 Cb 0.51 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.49 3gbm n ILE 53 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3gbm h PHE 54 N 0.00 0.63 0.00 1.39 -1.00 -2.00 -3.46 116.94 112.50 3gbm h PHE 54 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3gbm h PHE 54 Cb 0.00 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.36 3gbm h PHE 54 CO 0.00 0.36 0.00 0.41 -1.61 0.00 0.00 178.31 177.47 3gbm n GLY 55 N -1.26 2.28 3.76 -1.45 0.00 0.65 -5.02 105.19 104.15 3gbm n GLY 55 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3gbm n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbm s THR 56 N -2.29 2.56 0.12 2.61 -4.23 -1.25 -4.56 115.64 108.61 3gbm s THR 56 Ca 0.00 0.52 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 3gbm s THR 56 Cb 0.00 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 3gbm s THR 56 CO 0.00 0.10 0.10 0.42 -0.54 0.00 0.00 174.62 174.71 3gbm s THR 57 N -0.57 4.52 0.03 3.99 -4.23 -1.26 -0.92 115.64 117.20 3gbm s THR 57 Ca 0.55 -0.90 0.05 0.00 -1.18 0.00 0.00 61.69 60.21 3gbm s THR 57 Cb -0.42 -3.23 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 3gbm s THR 57 CO 0.50 0.02 -0.15 -0.54 -0.54 0.00 0.00 174.62 173.91 3gbm s LYS 58 N -2.70 1.02 0.05 3.99 1.02 -0.21 -4.98 119.74 117.93 3gbm s LYS 58 Ca 0.30 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.59 3gbm s LYS 58 Cb -0.11 -1.04 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 3gbm s LYS 58 CO 0.23 0.26 -0.13 0.71 -0.92 0.00 0.00 175.35 175.50 3gbm s TYR 59 N -0.77 1.10 0.56 3.18 2.02 -1.26 -0.55 117.35 121.63 3gbm s TYR 59 Ca 0.03 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.15 3gbm s TYR 59 Cb -0.08 -0.64 -0.05 0.00 -0.40 0.00 0.00 41.96 40.79 3gbm s TYR 59 CO 0.01 0.02 1.07 0.00 -1.57 0.00 0.00 175.55 175.09 3gbm s ALA 60 N -1.06 2.73 0.30 3.71 0.00 -0.24 -4.83 121.76 122.38 3gbm s ALA 60 Ca -0.02 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.52 3gbm s ALA 60 Cb -0.09 -3.28 0.53 0.00 0.00 0.00 0.00 23.12 20.29 3gbm s ALA 60 CO 0.01 -0.72 1.92 -1.35 0.00 0.00 0.00 175.76 175.63 3gbm h PRO 61 N 0.87 0.99 0.00 0.00 0.11 -1.93 -0.88 132.00 131.17 3gbm h PRO 61 Ca -0.48 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3gbm h PRO 61 Cb 1.23 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3gbm h PRO 61 CO 0.57 0.66 -0.05 -0.22 -0.21 0.00 0.00 178.00 178.75 3gbm h LYS 62 N 1.02 0.00 0.00 1.05 3.64 -1.95 -3.07 116.57 117.27 3gbm h LYS 62 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3gbm h LYS 62 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3gbm h LYS 62 CO -0.14 0.05 -0.65 1.19 -2.27 0.00 0.00 179.45 177.64 3gbm n PHE 63 N -3.64 0.00 -1.49 1.91 3.72 -1.03 -4.98 117.46 111.95 3gbm n PHE 63 Ca -0.02 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.84 3gbm n PHE 63 Cb 0.16 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 3gbm n PHE 63 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3gbm n GLN 64 N -1.35 0.96 0.00 -1.08 -0.06 -0.36 -1.22 117.38 114.27 3gbm n GLN 64 Ca 0.00 0.29 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 3gbm n GLN 64 Cb 0.09 -2.23 0.00 0.00 -4.06 0.00 0.00 30.24 24.04 3gbm n GLN 64 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3gbm n GLY 65 N 6.04 1.87 0.06 1.69 0.00 -1.26 -4.88 105.19 108.70 3gbm n GLY 65 Ca 0.39 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.43 3gbm n GLY 65 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gbm n ARG 66 N -0.00 1.64 -5.01 1.61 1.85 -0.36 -5.04 116.66 111.35 3gbm n ARG 66 Ca 0.00 -1.35 -0.29 0.00 -1.00 0.00 0.00 57.85 55.21 3gbm n ARG 66 Cb 0.00 -0.90 -0.17 0.00 -1.05 0.00 0.00 32.46 30.35 3gbm n ARG 66 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3gbm s VAL 67 N -0.93 1.71 -0.04 8.89 0.11 -1.08 -4.20 120.40 124.87 3gbm s VAL 67 Ca 0.05 -0.85 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 3gbm s VAL 67 Cb 0.04 -1.48 -0.00 0.00 -1.53 0.00 0.00 36.38 33.41 3gbm s VAL 67 CO 0.00 0.48 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.20 3gbm s THR 68 N 0.19 1.40 -0.10 5.04 2.01 -0.73 -4.92 115.64 118.54 3gbm s THR 68 Ca -0.10 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.23 3gbm s THR 68 Cb -0.15 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 3gbm s THR 68 CO 0.05 0.40 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.52 3gbm s ILE 69 N -0.01 2.13 0.30 1.82 1.01 -1.26 -0.98 121.20 124.21 3gbm s ILE 69 Ca -0.03 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.65 3gbm s ILE 69 Cb -0.11 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3gbm s ILE 69 CO 0.02 0.56 0.15 0.42 0.00 0.00 0.00 174.94 176.08 3gbm s THR 70 N 0.26 0.38 -0.01 2.92 -4.23 -1.04 -4.94 115.64 108.98 3gbm s THR 70 Ca -0.16 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.33 3gbm s THR 70 Cb -0.17 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.14 3gbm s THR 70 CO 0.08 0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.20 3gbm s ALA 71 N -3.63 -0.10 -0.46 3.99 0.00 -1.26 -0.71 121.76 119.59 3gbm s ALA 71 Ca 0.36 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.34 3gbm s ALA 71 Cb 0.05 -0.03 0.13 0.00 0.00 0.00 0.00 23.12 23.27 3gbm s ALA 71 CO 0.17 -0.06 0.22 0.34 0.00 0.00 0.00 175.76 176.42 3gbm s ASP 72 N -0.35 4.10 0.25 0.00 2.15 -0.09 -5.01 116.67 117.73 3gbm s ASP 72 Ca -0.04 -2.70 -0.03 0.00 0.43 0.00 0.00 52.55 50.21 3gbm s ASP 72 Cb -0.03 -1.37 0.30 0.00 -0.30 0.00 0.00 42.92 41.52 3gbm s ASP 72 CO 0.00 -0.27 1.76 0.44 -0.17 0.00 0.00 175.17 176.93 3gbm h ASP 73 N 6.80 0.82 0.03 -0.34 3.45 -1.92 -0.00 116.42 125.25 3gbm h ASP 73 Ca -0.05 -0.19 -0.00 0.00 0.43 0.00 0.00 57.03 57.21 3gbm h ASP 73 Cb 0.93 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3gbm h ASP 73 CO 0.58 0.86 -0.02 -0.26 -1.57 0.00 0.00 179.24 178.84 3gbm h PHE 74 N 0.81 0.00 -0.01 4.55 0.04 -1.95 -1.17 116.94 119.20 3gbm h PHE 74 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 3gbm h PHE 74 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3gbm h PHE 74 CO 0.02 0.02 -0.42 0.00 -0.60 0.00 0.00 178.31 177.33 3gbm n ALA 75 N -2.40 3.44 -1.29 2.45 0.00 -0.17 -4.87 120.51 117.67 3gbm n ALA 75 Ca -0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 3gbm n ALA 75 Cb 0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 3gbm n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbm n GLY 76 N 1.40 1.11 3.42 0.00 0.00 -0.31 -4.89 105.19 105.91 3gbm n GLY 76 Ca 0.10 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3gbm n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gbm s THR 77 N -2.25 2.57 0.21 2.61 2.01 -1.06 -2.06 115.64 117.67 3gbm s THR 77 Ca 0.00 -1.23 0.11 0.00 0.31 0.00 0.00 61.69 60.88 3gbm s THR 77 Cb 0.00 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3gbm s THR 77 CO 0.00 0.36 -0.23 0.68 -0.69 0.00 0.00 174.62 174.74 3gbm s VAL 78 N -0.87 2.37 0.11 3.82 -7.23 -0.75 -0.91 120.40 116.94 3gbm s VAL 78 Ca 0.13 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.27 3gbm s VAL 78 Cb -0.10 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3gbm s VAL 78 CO 0.04 -0.16 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.21 3gbm s TYR 79 N -1.81 1.40 -0.05 2.82 2.02 0.11 -1.26 117.35 120.59 3gbm s TYR 79 Ca 0.22 -0.53 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3gbm s TYR 79 Cb -0.07 -0.74 0.03 0.00 -0.40 0.00 0.00 41.96 40.77 3gbm s TYR 79 CO 0.11 0.14 0.01 1.41 -1.57 0.00 0.00 175.55 175.64 3gbm s MET 80 N -2.46 0.38 -0.20 -0.62 -2.45 0.04 -2.48 119.30 111.51 3gbm s MET 80 Ca 0.07 0.13 -0.02 0.00 -1.25 0.00 0.00 55.69 54.63 3gbm s MET 80 Cb -0.06 -0.69 0.01 0.00 1.25 0.00 0.00 34.83 35.33 3gbm s MET 80 CO 0.03 -0.23 -0.11 -2.00 1.05 0.00 0.00 175.02 173.76 3gbm s GLU 81 N 1.58 3.19 0.27 4.11 2.12 -0.15 -1.01 118.70 128.81 3gbm s GLU 81 Ca -0.02 -0.73 0.09 0.00 0.36 0.00 0.00 54.97 54.68 3gbm s GLU 81 Cb -0.13 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 3gbm s GLU 81 CO -0.03 -0.21 0.02 -1.17 -0.54 0.00 0.00 175.26 173.33 3gbm s LEU 82 N 1.39 3.22 -0.04 2.70 2.96 -0.46 -1.77 118.68 126.67 3gbm s LEU 82 Ca 0.05 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3gbm s LEU 82 Cb -0.14 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.83 3gbm s LEU 82 CO -0.08 -0.03 0.02 -1.20 -1.32 0.00 0.00 176.35 173.74 3gbm n SER 82 N -0.93 -0.13 -4.77 3.68 7.64 -0.43 -1.72 113.62 116.96 3gbm n SER 82 Ca -0.06 -0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.39 3gbm n SER 82 Cb 0.59 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 3gbm n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gbm s LEU 82 N -4.98 4.10 0.06 -3.43 1.43 -0.65 -4.69 118.68 110.52 3gbm s LEU 82 Ca 0.02 2.45 0.04 0.00 -1.03 0.00 0.00 54.13 55.61 3gbm s LEU 82 Cb -0.01 -4.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 3gbm s LEU 82 CO 0.03 -0.90 -0.13 -0.13 0.23 0.00 0.00 176.35 175.46 3gbm s ARG 83 N -2.48 0.77 0.44 1.70 0.52 -1.26 -1.13 118.95 117.50 3gbm s ARG 83 Ca 0.61 -0.87 0.21 0.00 -0.52 0.00 0.00 55.73 55.16 3gbm s ARG 83 Cb -0.33 -0.73 1.17 0.00 0.52 0.00 0.00 34.95 35.58 3gbm s ARG 83 CO 0.41 0.16 1.83 0.66 0.02 0.00 0.00 175.30 178.38 3gbm h SER 84 N 4.47 0.34 0.00 0.23 4.64 -1.95 0.70 113.55 121.97 3gbm h SER 84 Ca -0.39 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3gbm h SER 84 Cb 1.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3gbm h SER 84 CO 0.41 0.11 0.00 -1.84 -0.87 0.00 0.00 176.83 174.64 3gbm n GLU 85 N -4.49 0.60 0.00 4.77 0.00 -1.26 -1.38 120.64 118.87 3gbm n GLU 85 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.48 3gbm n GLU 85 Cb 0.82 -1.04 0.08 0.00 0.00 0.00 0.00 31.44 31.29 3gbm n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3gbm n ASP 86 N -0.40 0.90 -4.65 -1.84 8.00 0.24 -4.87 116.55 113.92 3gbm n ASP 86 Ca 0.00 -0.74 -0.51 0.00 0.71 0.00 0.00 54.79 54.25 3gbm n ASP 86 Cb 0.02 0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 41.65 3gbm n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gbm n THR 87 N -1.29 0.45 -3.93 -3.53 -1.04 -0.48 -4.85 114.28 99.60 3gbm n THR 87 Ca 0.06 -0.13 0.01 0.00 -2.04 0.00 0.00 64.05 61.95 3gbm n THR 87 Cb 0.35 -1.70 0.01 0.00 -1.82 0.00 0.00 70.33 67.17 3gbm n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gbm s ALA 88 N 4.61 -2.17 0.02 2.41 0.00 -0.33 -4.60 121.76 121.70 3gbm s ALA 88 Ca 0.97 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.70 3gbm s ALA 88 Cb -0.80 0.82 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 3gbm s ALA 88 CO 0.54 -1.12 0.53 1.41 0.00 0.00 0.00 175.76 177.12 3gbm s MET 89 N -2.10 4.17 -0.22 0.00 -2.45 -0.50 -1.47 119.30 116.73 3gbm s MET 89 Ca 0.26 0.63 0.02 0.00 -1.25 0.00 0.00 55.69 55.35 3gbm s MET 89 Cb -0.01 -3.28 0.04 0.00 1.25 0.00 0.00 34.83 32.83 3gbm s MET 89 CO 0.01 0.54 -0.15 0.71 1.05 0.00 0.00 175.02 177.19 3gbm s TYR 90 N -0.72 3.03 0.02 4.11 2.02 0.11 -0.50 117.35 125.40 3gbm s TYR 90 Ca 0.28 -1.95 -0.07 0.00 -0.37 0.00 0.00 57.07 54.96 3gbm s TYR 90 Cb -0.18 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 3gbm s TYR 90 CO 0.16 -0.83 0.29 0.71 -1.57 0.00 0.00 175.55 174.31 3gbm s TYR 91 N 1.21 3.58 -0.09 2.71 2.02 0.51 -0.98 117.35 126.31 3gbm s TYR 91 Ca -0.02 0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 57.19 3gbm s TYR 91 Cb -0.16 -2.02 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 3gbm s TYR 91 CO -0.09 0.60 0.24 0.00 -1.57 0.00 0.00 175.55 174.74 3gbm s ALA 93 N -0.75 0.71 0.05 0.00 0.00 0.18 -1.23 121.76 120.73 3gbm s ALA 93 Ca 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 3gbm s ALA 93 Cb -0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 3gbm s ALA 93 CO 0.06 0.09 0.28 -1.59 0.00 0.00 0.00 175.76 174.60 3gbm s LYS 94 N 0.34 3.56 0.57 0.00 -2.85 0.12 -0.60 119.74 120.87 3gbm s LYS 94 Ca -0.05 -0.16 0.02 0.00 -1.00 0.00 0.00 55.97 54.78 3gbm s LYS 94 Cb -0.09 -3.01 0.05 0.00 -2.06 0.00 0.00 37.83 32.71 3gbm s LYS 94 CO 0.00 0.60 0.80 -1.01 0.10 0.00 0.00 175.35 175.84 3gbm s HIS 95 N -1.43 2.63 0.16 1.78 3.76 -0.86 -1.09 115.29 120.25 3gbm s HIS 95 Ca 0.32 -0.09 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 3gbm s HIS 95 Cb -0.13 -2.75 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 3gbm s HIS 95 CO 0.21 -0.98 1.38 0.52 -0.85 0.00 0.00 174.74 175.01 3gbm h MET 96 N 0.01 0.17 0.00 1.40 0.00 -1.88 -3.43 114.93 111.21 3gbm h MET 96 Ca -0.41 -0.19 0.00 0.00 0.00 0.00 0.00 59.70 59.10 3gbm h MET 96 Cb 1.29 0.06 0.00 0.00 0.00 0.00 0.00 31.60 32.95 3gbm h MET 96 CO 0.50 0.94 0.00 0.41 0.00 0.00 0.00 176.91 178.76 3gbm n GLY 97 N 0.89 5.55 0.22 8.32 0.00 -1.26 -4.91 105.19 114.00 3gbm n GLY 97 Ca -0.03 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.29 3gbm n GLY 97 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3gbm h TYR 98 N 0.40 0.00 -3.65 1.61 -0.00 -1.90 -1.74 116.97 111.69 3gbm h TYR 98 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 58.73 58.22 3gbm h TYR 98 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.70 3gbm h TYR 98 CO 0.00 0.09 0.12 -0.65 -0.00 0.00 0.00 178.16 177.72 3gbm s GLN 99 N -3.27 4.17 0.15 0.10 -0.21 -1.26 -3.91 119.66 115.43 3gbm s GLN 99 Ca 0.05 0.82 -0.30 0.00 0.02 0.00 0.00 55.36 55.95 3gbm s GLN 99 Cb 0.06 -2.70 -0.08 0.00 1.00 0.00 0.00 33.01 31.30 3gbm s GLN 99 CO 0.66 0.29 1.30 0.14 -2.12 0.00 0.00 175.29 175.56 3gbm s VAL 100 N -1.71 3.40 0.27 1.09 -7.23 -1.26 -4.66 120.40 110.30 3gbm s VAL 100 Ca 0.48 1.09 -0.14 0.00 -1.81 0.00 0.00 61.98 61.60 3gbm s VAL 100 Cb -0.14 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.11 3gbm s VAL 100 CO 0.20 0.13 0.54 -0.13 -0.31 0.00 0.00 175.10 175.53 3gbm s ARG 100 N 0.37 1.67 0.51 4.82 0.52 -1.26 -5.04 118.95 120.53 3gbm s ARG 100 Ca 0.59 -1.25 0.26 0.00 -0.52 0.00 0.00 55.73 54.80 3gbm s ARG 100 Cb -0.35 0.50 1.36 0.00 0.52 0.00 0.00 34.95 36.98 3gbm s ARG 100 CO 0.35 -0.71 2.04 1.05 0.02 0.00 0.00 175.30 178.04 3gbm h GLU 100 N 2.18 0.00 -5.83 3.54 9.09 -2.04 -3.42 114.58 118.10 3gbm h GLU 100 Ca -0.25 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.54 3gbm h GLU 100 Cb 1.25 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.23 3gbm h GLU 100 CO 0.34 0.14 0.39 0.99 0.05 0.00 0.00 179.01 180.91 3gbm s THR 100 N -4.15 4.64 -0.21 -1.06 2.01 -1.26 -5.02 115.64 110.59 3gbm s THR 100 Ca -0.02 0.53 0.02 0.00 0.31 0.00 0.00 61.69 62.52 3gbm s THR 100 Cb 0.13 -4.32 0.04 0.00 0.01 0.00 0.00 72.50 68.35 3gbm s THR 100 CO 0.60 -0.70 -0.16 -0.04 -0.69 0.00 0.00 174.62 173.64 3gbm s MET 100 N 3.32 2.60 0.03 4.92 -1.94 -1.26 -3.79 119.30 123.18 3gbm s MET 100 Ca 0.31 -0.99 0.20 0.00 -1.71 0.00 0.00 55.69 53.49 3gbm s MET 100 Cb -0.12 -2.64 -0.18 0.00 2.01 0.00 0.00 34.83 33.90 3gbm s MET 100 CO 0.22 -0.36 0.66 -0.40 -0.01 0.00 0.00 175.02 175.14 3gbm n ASP 101 N 4.57 0.49 -3.92 3.03 5.75 -0.25 -4.86 116.55 121.36 3gbm n ASP 101 Ca -0.18 0.21 -0.20 0.00 -0.01 0.00 0.00 54.79 54.61 3gbm n ASP 101 Cb 0.47 0.85 -0.16 0.00 -1.03 0.00 0.00 41.12 41.25 3gbm n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3gbm s VAL 102 N -3.12 0.62 0.05 2.12 1.01 -1.23 -5.03 120.40 114.82 3gbm s VAL 102 Ca -0.05 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 61.83 3gbm s VAL 102 Cb 0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3gbm s VAL 102 CO 0.84 0.23 -0.24 0.26 0.00 0.00 0.00 175.10 176.19 3gbm s TRP 103 N 0.76 2.40 1.09 5.22 0.52 -1.26 -0.70 118.94 126.97 3gbm s TRP 103 Ca -0.11 -0.36 -0.13 0.00 0.02 0.00 0.00 56.10 55.53 3gbm s TRP 103 Cb -0.14 -1.40 0.24 0.00 -1.15 0.00 0.00 33.47 31.02 3gbm s TRP 103 CO 0.01 0.19 1.06 0.20 0.02 0.00 0.00 176.95 178.43 3gbm s GLY 104 N -1.41 1.56 0.41 0.98 0.00 -0.36 -4.75 107.32 103.75 3gbm s GLY 104 Ca 0.13 -0.23 0.17 0.00 0.00 0.00 0.00 44.72 44.79 3gbm s GLY 104 CO 0.04 0.44 1.87 0.50 0.00 0.00 0.00 173.10 175.95 3gbm h LYS 105 N -2.28 0.00 0.00 2.90 1.57 -1.91 -3.46 116.57 113.39 3gbm h LYS 105 Ca -0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 3gbm h LYS 105 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3gbm h LYS 105 CO 0.54 0.31 0.00 0.41 -0.57 0.00 0.00 179.45 180.13 3gbm n GLY 106 N -0.41 3.02 3.09 3.86 0.00 -1.26 -5.01 105.19 108.47 3gbm n GLY 106 Ca -0.02 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 3gbm n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gbm s THR 107 N -2.96 0.02 -0.09 2.61 -1.32 -0.15 -4.90 115.64 108.85 3gbm s THR 107 Ca 0.00 -0.14 -0.15 0.00 -1.21 0.00 0.00 61.69 60.19 3gbm s THR 107 Cb 0.00 -0.32 -0.05 0.00 -1.51 0.00 0.00 72.50 70.62 3gbm s THR 107 CO 0.00 -0.08 0.37 -0.89 -2.21 0.00 0.00 174.62 171.81 3gbm s THR 108 N -0.22 5.19 -0.11 5.08 2.01 -1.26 0.04 115.64 126.37 3gbm s THR 108 Ca -0.03 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3gbm s THR 108 Cb -0.03 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.81 3gbm s THR 108 CO 0.01 0.45 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.59 3gbm s VAL 109 N -0.13 1.22 -0.14 3.82 1.01 -0.54 -0.69 120.40 124.95 3gbm s VAL 109 Ca 0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 3gbm s VAL 109 Cb -0.15 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3gbm s VAL 109 CO 0.09 0.40 -0.12 0.42 0.00 0.00 0.00 175.10 175.89 3gbm s THR 110 N 1.43 3.13 -0.19 3.92 -4.23 -0.43 -1.19 115.64 118.08 3gbm s THR 110 Ca 0.01 -0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 59.87 3gbm s THR 110 Cb -0.13 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 3gbm s THR 110 CO -0.06 0.51 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.76 3gbm s VAL 111 N 0.49 3.23 0.01 2.29 1.01 -1.26 -1.71 120.40 124.46 3gbm s VAL 111 Ca -0.08 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3gbm s VAL 111 Cb -0.16 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.83 3gbm s VAL 111 CO 0.04 0.46 0.40 -0.55 0.00 0.00 0.00 175.10 175.45 3gbm s SER 112 N 1.12 -0.29 0.22 3.32 0.15 -0.46 -4.50 113.70 113.25 3gbm s SER 112 Ca 0.01 0.12 0.10 0.00 0.70 0.00 0.00 55.95 56.89 3gbm s SER 112 Cb -0.15 0.39 0.13 0.00 -1.71 0.00 0.00 66.02 64.69 3gbm s SER 112 CO -0.02 -0.57 1.48 0.77 1.20 0.00 0.00 173.24 176.10 3gbm h SER 113 N 3.36 0.00 -2.31 5.45 4.64 -1.95 -3.32 113.55 119.41 3gbm h SER 113 Ca -0.30 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.42 3gbm h SER 113 Cb 1.18 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.44 3gbm h SER 113 CO 0.42 0.74 -0.78 0.00 -0.87 0.00 0.00 176.83 176.34 3gbm n ALA 114 N -2.37 -2.22 -2.68 5.18 0.00 -1.26 -4.99 120.51 112.18 3gbm n ALA 114 Ca -0.00 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 3gbm n ALA 114 Cb 0.75 -1.60 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 3gbm n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gbm s SER 115 N -1.05 4.99 0.18 0.00 0.01 -1.26 -4.91 113.70 111.66 3gbm s SER 115 Ca 0.62 -0.19 -0.33 0.00 1.31 0.00 0.00 55.95 57.36 3gbm s SER 115 Cb -0.51 -1.18 -0.13 0.00 0.21 0.00 0.00 66.02 64.40 3gbm s SER 115 CO 0.61 0.18 1.57 0.41 0.41 0.00 0.00 173.24 176.42 3gbm n THR 116 N 0.60 0.16 -3.65 1.44 -1.04 -1.26 -4.62 114.28 105.91 3gbm n THR 116 Ca -0.11 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.05 61.78 3gbm n THR 116 Cb 0.52 -1.60 -0.07 0.00 -1.82 0.00 0.00 70.33 67.36 3gbm n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3gbm s LYS 117 N 0.71 0.68 0.91 -2.82 2.20 0.89 -4.95 119.74 117.37 3gbm s LYS 117 Ca 0.76 1.17 -0.11 0.00 -0.36 0.00 0.00 55.97 57.43 3gbm s LYS 117 Cb -0.65 0.14 0.14 0.00 -1.51 0.00 0.00 37.83 35.95 3gbm s LYS 117 CO 0.39 -0.15 1.09 0.20 -0.36 0.00 0.00 175.35 176.53 3gbm s GLY 118 N 1.55 1.63 0.55 5.54 0.00 -1.26 -1.96 107.32 113.36 3gbm s GLY 118 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.65 3gbm s GLY 118 CO -0.18 0.54 0.82 2.56 0.00 0.00 0.00 173.10 176.84 3gbm s PRO 119 N -4.84 2.82 -0.17 2.90 0.05 -1.26 -4.62 135.00 129.88 3gbm s PRO 119 Ca 0.64 -0.31 -0.05 0.00 0.05 0.00 0.00 61.00 61.33 3gbm s PRO 119 Cb -0.19 -2.38 -0.03 0.00 0.05 0.00 0.00 34.50 31.94 3gbm s PRO 119 CO 0.58 -0.63 -0.01 -1.12 0.05 0.00 0.00 177.00 175.87 3gbm s SER 120 N -4.32 5.00 -0.21 6.66 0.01 -0.67 -4.92 113.70 115.25 3gbm s SER 120 Ca 0.53 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.67 3gbm s SER 120 Cb -0.10 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 3gbm s SER 120 CO 0.42 0.15 -0.04 -0.69 0.41 0.00 0.00 173.24 173.49 3gbm s VAL 121 N 0.47 3.43 -0.17 3.43 1.01 -1.26 0.11 120.40 127.42 3gbm s VAL 121 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3gbm s VAL 121 Cb -0.14 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.73 3gbm s VAL 121 CO 0.02 0.43 -0.09 -0.36 0.00 0.00 0.00 175.10 175.10 3gbm s PHE 122 N 1.35 2.02 0.35 5.22 0.08 -0.10 -4.95 117.98 121.94 3gbm s PHE 122 Ca 0.04 -1.25 -0.29 0.00 0.12 0.00 0.00 56.93 55.55 3gbm s PHE 122 Cb -0.14 -1.48 -0.11 0.00 -0.57 0.00 0.00 43.02 40.72 3gbm s PHE 122 CO -0.02 -0.66 1.54 -0.35 -0.10 0.00 0.00 175.22 175.63 3gbm n PRO 123 N 4.79 2.72 -3.34 0.24 -0.04 -1.26 -2.00 135.00 136.11 3gbm n PRO 123 Ca -0.14 0.96 -0.40 0.00 -0.04 0.00 0.00 63.50 63.88 3gbm n PRO 123 Cb 0.48 -2.72 -0.09 0.00 -0.04 0.00 0.00 33.50 31.13 3gbm n PRO 123 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gbm s LEU 124 N -1.45 4.26 0.22 1.53 1.43 0.12 -4.92 118.68 119.87 3gbm s LEU 124 Ca 0.57 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 3gbm s LEU 124 Cb -0.48 -2.46 -0.10 0.00 0.03 0.00 0.00 46.19 43.19 3gbm s LEU 124 CO 0.58 -0.33 1.45 0.00 0.23 0.00 0.00 176.35 178.28 3gbm s ALA 125 N 2.16 3.65 -0.01 4.21 0.00 -1.26 -3.30 121.76 127.21 3gbm s ALA 125 Ca 0.15 1.31 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 3gbm s ALA 125 Cb -0.16 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.31 3gbm s ALA 125 CO 0.11 -0.73 0.81 -1.35 0.00 0.00 0.00 175.76 174.60 3gbm h PRO 126 N 5.50 -0.54 0.00 0.00 0.11 -1.97 -3.44 132.00 131.66 3gbm h PRO 126 Ca -0.45 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gbm h PRO 126 Cb 1.21 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3gbm h PRO 126 CO 0.81 -0.36 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 3gbm n SER 127 N -4.35 0.00 0.00 -2.05 3.41 -1.26 -4.83 113.62 104.54 3gbm n SER 127 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3gbm n SER 127 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3gbm n SER 127 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gbm n SER 128 N 0.00 0.00 0.00 4.04 7.64 -1.26 -5.09 113.62 118.95 3gbm n SER 128 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3gbm n SER 128 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3gbm n SER 128 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3gbm n THR 137 N 0.00 0.00 -4.61 0.44 5.66 -1.26 -5.20 114.28 109.30 3gbm n THR 137 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 3gbm n THR 137 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 3gbm n THR 137 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gbm n ALA 138 N 0.00 0.48 -3.74 1.79 0.00 -1.15 -4.95 120.51 112.94 3gbm n ALA 138 Ca 0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 53.44 51.17 3gbm n ALA 138 Cb 0.00 1.28 -0.16 0.00 0.00 0.00 0.00 19.45 20.57 3gbm n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbm s ALA 139 N -2.95 0.19 0.43 0.00 0.00 -1.26 -0.71 121.76 117.46 3gbm s ALA 139 Ca 0.10 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.36 3gbm s ALA 139 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 3gbm s ALA 139 CO 0.07 -0.09 0.18 -0.48 0.00 0.00 0.00 175.76 175.44 3gbm s LEU 140 N 1.04 3.05 0.00 0.00 0.05 -0.27 -4.50 118.68 118.06 3gbm s LEU 140 Ca -0.10 -1.12 -0.08 0.00 0.05 0.00 0.00 54.13 52.88 3gbm s LEU 140 Cb -0.13 -1.37 0.03 0.00 -2.05 0.00 0.00 46.19 42.66 3gbm s LEU 140 CO -0.02 -0.59 0.39 0.61 -0.55 0.00 0.00 176.35 176.19 3gbm n GLY 141 N -1.27 1.04 3.38 -3.48 0.00 -1.21 0.30 105.19 103.95 3gbm n GLY 141 Ca -0.02 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 3gbm n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm s LEU 143 N -3.14 1.85 -0.39 0.00 2.96 -0.85 -1.58 118.68 117.54 3gbm s LEU 143 Ca 0.23 -0.91 -0.13 0.00 -0.22 0.00 0.00 54.13 53.09 3gbm s LEU 143 Cb -0.04 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.75 3gbm s LEU 143 CO 0.09 -0.24 0.26 -0.69 -1.32 0.00 0.00 176.35 174.45 3gbm s VAL 144 N 1.61 5.04 -0.14 1.68 1.01 0.62 -0.92 120.40 129.31 3gbm s VAL 144 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3gbm s VAL 144 Cb -0.17 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3gbm s VAL 144 CO -0.07 -0.25 -0.10 -0.75 0.00 0.00 0.00 175.10 173.93 3gbm s LYS 145 N 1.64 3.45 -0.55 2.72 2.47 0.12 -1.72 119.74 127.88 3gbm s LYS 145 Ca 0.04 -0.63 -0.14 0.00 -1.56 0.00 0.00 55.97 53.68 3gbm s LYS 145 Cb -0.19 -2.71 0.02 0.00 -1.46 0.00 0.00 37.83 33.49 3gbm s LYS 145 CO 0.09 0.23 0.64 -0.25 0.16 0.00 0.00 175.35 176.22 3gbm n ASP 146 N 3.49 -7.28 -4.41 1.43 8.00 -0.76 -1.67 116.55 115.35 3gbm n ASP 146 Ca -0.18 0.14 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 3gbm n ASP 146 Cb 0.53 -4.48 -0.10 0.00 -0.02 0.00 0.00 41.12 37.04 3gbm n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3gbm s TYR 147 N -2.56 1.89 -0.23 1.24 -0.85 -0.03 -4.47 117.35 112.34 3gbm s TYR 147 Ca 0.19 -0.73 -0.26 0.00 -0.52 0.00 0.00 57.07 55.75 3gbm s TYR 147 Cb -0.04 -1.08 0.09 0.00 0.38 0.00 0.00 41.96 41.31 3gbm s TYR 147 CO 0.79 0.24 0.80 0.12 -1.52 0.00 0.00 175.55 175.98 3gbm s PHE 148 N -3.07 -0.67 0.36 -3.49 5.36 -0.83 0.69 117.98 116.34 3gbm s PHE 148 Ca 0.29 1.54 -0.03 0.00 -0.96 0.00 0.00 56.93 57.77 3gbm s PHE 148 Cb 0.04 0.33 0.08 0.00 -0.34 0.00 0.00 43.02 43.12 3gbm s PHE 148 CO 0.11 -0.38 0.50 -0.35 -1.46 0.00 0.00 175.22 173.64 3gbm n PRO 149 N 2.16 -0.02 -1.25 10.12 -0.04 -1.26 -0.08 135.00 144.64 3gbm n PRO 149 Ca -0.14 -1.10 -0.29 0.00 -0.04 0.00 0.00 63.50 61.92 3gbm n PRO 149 Cb 0.56 -0.41 0.14 0.00 -0.04 0.00 0.00 33.50 33.75 3gbm n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gbm s GLU 150 N -3.84 1.16 0.44 0.54 0.41 -1.26 -4.82 118.70 111.33 3gbm s GLU 150 Ca 0.31 0.71 0.08 0.00 -0.41 0.00 0.00 54.97 55.65 3gbm s GLU 150 Cb -0.01 -1.81 0.02 0.00 -1.78 0.00 0.00 34.13 30.55 3gbm s GLU 150 CO 0.21 -2.28 0.60 -1.25 -0.49 0.00 0.00 175.26 172.05 3gbm s PRO 151 N -4.98 2.77 0.16 0.39 0.04 -1.26 -5.01 135.00 127.11 3gbm s PRO 151 Ca 0.64 -1.24 0.08 0.00 0.04 0.00 0.00 61.00 60.51 3gbm s PRO 151 Cb -0.18 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 3gbm s PRO 151 CO 0.57 -0.34 -0.18 0.54 0.04 0.00 0.00 177.00 177.63 3gbm s VAL 152 N -2.40 1.74 -0.36 -0.36 0.11 -1.26 -4.61 120.40 113.26 3gbm s VAL 152 Ca 0.56 -1.87 0.03 0.00 -2.93 0.00 0.00 61.98 57.77 3gbm s VAL 152 Cb -0.10 -1.78 0.11 0.00 -1.53 0.00 0.00 36.38 33.07 3gbm s VAL 152 CO 0.34 -0.32 0.10 -0.89 -3.33 0.00 0.00 175.10 171.00 3gbm s THR 153 N -2.02 2.01 -0.42 5.04 2.01 -0.25 -4.99 115.64 117.02 3gbm s THR 153 Ca 0.14 -2.31 -0.10 0.00 0.31 0.00 0.00 61.69 59.73 3gbm s THR 153 Cb -0.06 -2.48 0.07 0.00 0.01 0.00 0.00 72.50 70.05 3gbm s THR 153 CO 0.06 -0.66 0.27 -0.69 -0.69 0.00 0.00 174.62 172.91 3gbm s VAL 154 N 0.85 4.44 0.23 3.82 1.01 -1.26 -0.42 120.40 129.06 3gbm s VAL 154 Ca 0.12 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.91 3gbm s VAL 154 Cb -0.20 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3gbm s VAL 154 CO -0.10 -0.48 0.11 -0.94 0.00 0.00 0.00 175.10 173.70 3gbm s SER 156 N 2.10 5.19 -0.10 3.32 1.04 0.24 -4.96 113.70 120.54 3gbm s SER 156 Ca 0.03 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.15 3gbm s SER 156 Cb -0.23 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.66 3gbm s SER 156 CO 0.03 0.01 -0.20 0.26 0.98 0.00 0.00 173.24 174.32 3gbm s TRP 157 N -2.05 2.63 -1.44 5.02 0.52 -1.26 0.26 118.94 122.61 3gbm s TRP 157 Ca 0.31 -0.80 -0.07 0.00 0.02 0.00 0.00 56.10 55.56 3gbm s TRP 157 Cb -0.08 -1.73 0.05 0.00 -1.15 0.00 0.00 33.47 30.56 3gbm s TRP 157 CO 0.23 -0.28 0.76 0.09 0.02 0.00 0.00 176.95 177.77 3gbm n ASN 162 N 3.34 -2.52 -1.83 2.95 3.02 -1.00 -1.88 115.26 117.34 3gbm n ASN 162 Ca -0.18 -0.85 -0.16 0.00 -0.03 0.00 0.00 54.58 53.35 3gbm n ASN 162 Cb 0.53 -3.70 -0.01 0.00 -0.61 0.00 0.00 39.78 35.98 3gbm n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gbm n SER 163 N -2.93 -4.81 0.00 6.41 7.64 -1.26 -2.31 113.62 116.36 3gbm n SER 163 Ca -0.15 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.73 3gbm n SER 163 Cb 0.61 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.89 3gbm n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gbm n GLY 164 N -1.01 2.51 1.14 0.23 0.00 -0.79 -4.90 105.19 102.37 3gbm n GLY 164 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3gbm n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm n ALA 165 N -0.92 3.20 -3.59 4.61 0.00 -0.98 -4.28 120.51 118.55 3gbm n ALA 165 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 3gbm n ALA 165 Cb 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 3gbm n ALA 165 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gbm s LEU 166 N -1.12 1.80 -0.26 0.00 2.96 -0.95 -4.96 118.68 116.14 3gbm s LEU 166 Ca 0.22 -2.36 -0.03 0.00 -0.22 0.00 0.00 54.13 51.74 3gbm s LEU 166 Cb 0.17 -0.70 -0.16 0.00 0.50 0.00 0.00 46.19 45.99 3gbm s LEU 166 CO 0.06 -0.29 -0.25 0.35 -1.32 0.00 0.00 176.35 174.90 3gbm n THR 167 N 3.85 1.51 -2.36 3.68 -2.24 -1.26 -4.40 114.28 113.05 3gbm n THR 167 Ca 0.10 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 3gbm n THR 167 Cb 0.36 -1.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.00 3gbm n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gbm s SER 168 N -6.80 7.10 0.00 3.42 0.15 -1.26 -2.52 113.70 113.79 3gbm s SER 168 Ca -0.36 2.38 0.00 0.00 0.70 0.00 0.00 55.95 58.67 3gbm s SER 168 Cb 0.11 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3gbm s SER 168 CO 0.57 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.34 3gbm n GLY 169 N 1.25 3.10 3.59 9.45 0.00 -1.26 -4.92 105.19 116.40 3gbm n GLY 169 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3gbm n GLY 169 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gbm n VAL 171 N -1.25 2.88 -3.24 1.61 0.31 -1.05 -3.23 118.33 114.36 3gbm n VAL 171 Ca 0.00 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.80 3gbm n VAL 171 Cb 0.00 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 3gbm n VAL 171 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3gbm s HIS 172 N -1.44 -1.43 -0.50 3.52 2.46 0.07 -4.95 115.29 113.02 3gbm s HIS 172 Ca 0.69 0.15 -0.25 0.00 0.47 0.00 0.00 55.06 56.13 3gbm s HIS 172 Cb -0.48 0.15 0.03 0.00 -0.13 0.00 0.00 32.58 32.15 3gbm s HIS 172 CO 0.53 -1.12 0.92 0.99 -2.47 0.00 0.00 174.74 173.59 3gbm s THR 173 N 1.93 4.45 0.48 0.89 2.01 -1.26 -1.57 115.64 122.57 3gbm s THR 173 Ca 0.15 0.49 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 3gbm s THR 173 Cb -0.07 -4.47 -0.08 0.00 0.01 0.00 0.00 72.50 67.89 3gbm s THR 173 CO -0.10 -0.95 1.08 -0.36 -0.69 0.00 0.00 174.62 173.59 3gbm s PHE 174 N 3.79 2.94 0.46 4.92 0.40 -0.36 -4.98 117.98 125.15 3gbm s PHE 174 Ca 0.33 1.57 -0.22 0.00 -0.60 0.00 0.00 56.93 58.02 3gbm s PHE 174 Cb -0.11 -3.17 -0.09 0.00 0.51 0.00 0.00 43.02 40.16 3gbm s PHE 174 CO 0.23 -1.07 1.05 -1.25 0.70 0.00 0.00 175.22 174.88 3gbm s PRO 175 N -3.07 3.91 0.65 0.24 0.04 -1.26 -4.43 135.00 131.08 3gbm s PRO 175 Ca 0.67 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 63.01 3gbm s PRO 175 Cb -0.20 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 3gbm s PRO 175 CO 0.24 -0.35 1.06 0.00 0.04 0.00 0.00 177.00 177.99 3gbm s ALA 176 N -1.85 2.70 -0.01 8.56 0.00 -1.26 -4.89 121.76 125.00 3gbm s ALA 176 Ca 0.64 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 3gbm s ALA 176 Cb -0.19 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 3gbm s ALA 176 CO 0.23 -1.06 0.42 0.54 0.00 0.00 0.00 175.76 175.89 3gbm s VAL 177 N -2.79 5.02 -0.46 0.00 0.11 0.40 -4.93 120.40 117.75 3gbm s VAL 177 Ca 0.60 0.87 -0.17 0.00 -2.93 0.00 0.00 61.98 60.36 3gbm s VAL 177 Cb -0.15 -3.73 0.05 0.00 -1.53 0.00 0.00 36.38 31.02 3gbm s VAL 177 CO 0.47 0.56 0.44 -0.22 -3.33 0.00 0.00 175.10 173.02 3gbm s LEU 178 N -0.94 5.23 0.88 2.54 2.96 -1.26 -1.29 118.68 126.81 3gbm s LEU 178 Ca 0.24 -1.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.01 3gbm s LEU 178 Cb -0.17 -2.28 0.12 0.00 0.50 0.00 0.00 46.19 44.36 3gbm s LEU 178 CO 0.13 -0.65 1.09 -1.10 -1.32 0.00 0.00 176.35 174.51 3gbm s GLN 179 N 1.97 1.36 0.40 1.98 -0.21 -0.60 -4.89 119.66 119.67 3gbm s GLN 179 Ca 0.08 0.82 0.15 0.00 0.02 0.00 0.00 55.36 56.43 3gbm s GLN 179 Cb -0.21 -1.82 1.01 0.00 1.00 0.00 0.00 33.01 32.99 3gbm s GLN 179 CO 0.10 -2.17 1.85 1.03 -2.12 0.00 0.00 175.29 173.98 3gbm h SER 180 N -1.50 0.49 0.61 5.90 0.87 -1.98 -1.52 113.55 116.43 3gbm h SER 180 Ca -0.49 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3gbm h SER 180 Cb 1.28 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3gbm h SER 180 CO 0.55 0.20 0.00 -1.54 -0.53 0.00 0.00 176.83 175.51 3gbm n SER 182 N -4.55 0.00 0.00 6.23 3.41 -1.26 -4.89 113.62 112.56 3gbm n SER 182 Ca 0.19 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3gbm n SER 182 Cb 0.65 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3gbm n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gbm n GLY 183 N 0.51 1.95 3.86 5.00 0.00 -0.57 -4.84 105.19 111.09 3gbm n GLY 183 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3gbm n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gbm s LEU 184 N 0.00 3.86 0.13 0.99 1.43 -1.26 -4.76 118.68 119.07 3gbm s LEU 184 Ca 0.00 1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 54.36 3gbm s LEU 184 Cb 0.00 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 3gbm s LEU 184 CO 0.00 -0.38 0.34 -0.31 0.23 0.00 0.00 176.35 176.23 3gbm s TYR 185 N -2.31 3.49 -0.03 0.29 1.51 0.22 -1.55 117.35 118.97 3gbm s TYR 185 Ca 0.54 0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 57.01 3gbm s TYR 185 Cb -0.10 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.84 3gbm s TYR 185 CO 0.27 0.46 0.09 -1.12 -1.11 0.00 0.00 175.55 174.13 3gbm s SER 186 N -2.58 -0.05 0.18 2.29 0.01 -0.41 -0.85 113.70 112.29 3gbm s SER 186 Ca 0.39 0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.62 3gbm s SER 186 Cb -0.12 0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.29 3gbm s SER 186 CO 0.26 -0.10 0.36 -1.48 0.41 0.00 0.00 173.24 172.69 3gbm s LEU 187 N -0.26 0.70 0.26 2.44 0.05 -0.70 -0.45 118.68 120.72 3gbm s LEU 187 Ca -0.03 -0.81 0.09 0.00 0.05 0.00 0.00 54.13 53.43 3gbm s LEU 187 Cb -0.02 1.44 -0.05 0.00 -2.05 0.00 0.00 46.19 45.51 3gbm s LEU 187 CO 0.00 -0.96 -0.13 -0.94 -0.55 0.00 0.00 176.35 173.77 3gbm s SER 188 N -2.96 3.02 -0.23 1.48 1.04 -1.26 -0.28 113.70 114.51 3gbm s SER 188 Ca 0.17 -1.09 -0.03 0.00 0.48 0.00 0.00 55.95 55.48 3gbm s SER 188 Cb 0.02 -0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.01 3gbm s SER 188 CO 0.01 -0.16 0.09 -0.55 0.98 0.00 0.00 173.24 173.60 3gbm s SER 189 N -3.43 3.13 0.43 7.02 0.15 -0.61 -1.23 113.70 119.16 3gbm s SER 189 Ca 0.27 -1.04 -0.03 0.00 0.70 0.00 0.00 55.95 55.86 3gbm s SER 189 Cb -0.00 -0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 3gbm s SER 189 CO 0.11 -0.37 0.69 0.54 1.20 0.00 0.00 173.24 175.41 3gbm s VAL 190 N 1.95 4.96 -0.09 4.45 0.11 -0.61 -0.65 120.40 130.54 3gbm s VAL 190 Ca 0.04 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 3gbm s VAL 190 Cb -0.17 -3.85 0.03 0.00 -1.53 0.00 0.00 36.38 30.86 3gbm s VAL 190 CO -0.19 -0.72 0.21 0.54 -3.33 0.00 0.00 175.10 171.61 3gbm s VAL 191 N -2.57 -0.02 -0.38 2.04 0.11 0.15 -0.75 120.40 118.98 3gbm s VAL 191 Ca 0.44 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.45 3gbm s VAL 191 Cb -0.10 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 3gbm s VAL 191 CO 0.41 0.03 0.21 0.42 -3.33 0.00 0.00 175.10 172.84 3gbm s THR 192 N 0.64 4.63 0.26 5.04 -4.23 -1.20 -1.11 115.64 119.66 3gbm s THR 192 Ca -0.04 -0.84 0.11 0.00 -1.18 0.00 0.00 61.69 59.74 3gbm s THR 192 Cb -0.06 -3.58 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 3gbm s THR 192 CO -0.04 -0.24 -0.19 0.68 -0.54 0.00 0.00 174.62 174.29 3gbm s VAL 193 N 1.56 2.34 0.09 2.29 -7.23 0.11 -4.80 120.40 114.77 3gbm s VAL 193 Ca 0.02 -2.36 -0.31 0.00 -1.81 0.00 0.00 61.98 57.53 3gbm s VAL 193 Cb -0.19 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.40 3gbm s VAL 193 CO 0.07 -0.42 1.89 -0.81 -0.31 0.00 0.00 175.10 175.52 3gbm n PRO 194 N -0.53 2.82 0.13 4.82 -0.04 -1.26 -2.92 135.00 138.02 3gbm n PRO 194 Ca -0.06 1.03 0.09 0.00 -0.04 0.00 0.00 63.50 64.52 3gbm n PRO 194 Cb 0.60 -2.94 0.58 0.00 -0.04 0.00 0.00 33.50 31.70 3gbm n PRO 194 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3gbm h SER 195 N 9.27 0.14 0.00 3.54 0.02 -1.92 -3.14 113.55 121.46 3gbm h SER 195 Ca -0.48 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3gbm h SER 195 Cb 1.23 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3gbm h SER 195 CO 0.95 0.10 0.00 -1.54 -1.14 0.00 0.00 176.83 175.20 3gbm n SER 196 N -4.50 0.00 -2.10 3.07 3.41 -1.26 -3.61 113.62 108.63 3gbm n SER 196 Ca 0.01 0.92 -0.25 0.00 -0.26 0.00 0.00 58.87 59.30 3gbm n SER 196 Cb 0.18 -0.46 0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3gbm n SER 196 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gbm n SER 197 N -1.88 7.00 0.06 4.04 3.41 -1.26 -4.28 113.62 120.71 3gbm n SER 197 Ca 0.00 -3.38 -0.07 0.00 -0.26 0.00 0.00 58.87 55.16 3gbm n SER 197 Cb 0.00 -1.03 0.08 0.00 -0.26 0.00 0.00 64.21 63.00 3gbm n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3gbm h LEU 198 N 2.35 0.41 -0.00 1.04 5.85 -1.60 -1.64 115.31 121.71 3gbm h LEU 198 Ca 0.43 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3gbm h LEU 198 Cb 0.85 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3gbm h LEU 198 CO 1.12 0.94 -0.00 0.61 -0.34 0.00 0.00 178.44 180.76 3gbm n GLY 199 N 0.35 -1.04 0.00 3.75 0.00 -1.26 -3.77 105.19 103.21 3gbm n GLY 199 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3gbm n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gbm n THR 200 N -1.04 0.00 -3.87 2.61 -2.24 -1.20 -5.08 114.28 103.46 3gbm n THR 200 Ca 0.22 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 3gbm n THR 200 Cb 0.13 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 3gbm n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gbm s GLN 203 N -0.40 3.47 -0.19 -0.78 -1.52 -0.62 -5.10 119.66 114.51 3gbm s GLN 203 Ca 0.00 -0.32 -0.07 0.00 -1.95 0.00 0.00 55.36 53.02 3gbm s GLN 203 Cb 0.00 -3.05 -0.04 0.00 -0.22 0.00 0.00 33.01 29.70 3gbm s GLN 203 CO 0.00 0.63 0.06 0.99 -0.25 0.00 0.00 175.29 176.72 3gbm s THR 205 N -1.42 4.73 -0.57 -0.19 2.01 -1.26 -4.90 115.64 114.04 3gbm s THR 205 Ca 0.31 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.30 3gbm s THR 205 Cb -0.13 -3.13 0.15 0.00 0.01 0.00 0.00 72.50 69.40 3gbm s THR 205 CO 0.22 0.45 0.37 -0.31 -0.69 0.00 0.00 174.62 174.66 3gbm s TYR 206 N 0.46 2.84 0.36 4.92 2.02 -1.26 -4.94 117.35 121.75 3gbm s TYR 206 Ca 0.03 -2.99 -0.16 0.00 -0.37 0.00 0.00 57.07 53.59 3gbm s TYR 206 Cb -0.13 -2.34 -0.09 0.00 -0.40 0.00 0.00 41.96 39.01 3gbm s TYR 206 CO 0.01 -0.68 0.79 0.96 -1.57 0.00 0.00 175.55 175.06 3gbm s ILE 207 N -0.62 4.63 -0.10 2.71 -5.25 -1.26 0.22 121.20 121.53 3gbm s ILE 207 Ca 0.23 1.03 0.01 0.00 -0.99 0.00 0.00 60.65 60.93 3gbm s ILE 207 Cb -0.13 -3.62 0.02 0.00 2.95 0.00 0.00 42.46 41.68 3gbm s ILE 207 CO -0.10 -0.27 -0.13 0.00 -1.79 0.00 0.00 174.94 172.65 3gbm s ASN 209 N 1.03 5.35 -0.30 0.00 0.02 0.14 -2.45 114.94 118.74 3gbm s ASN 209 Ca -0.06 -0.14 0.03 0.00 -1.02 0.00 0.00 52.86 51.66 3gbm s ASN 209 Cb -0.15 -1.97 0.08 0.00 0.02 0.00 0.00 41.25 39.23 3gbm s ASN 209 CO -0.02 -0.02 -0.02 -0.69 0.02 0.00 0.00 177.10 176.37 3gbm s VAL 210 N 1.56 2.36 -0.13 1.60 1.01 -0.91 -0.59 120.40 125.29 3gbm s VAL 210 Ca 0.06 -1.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.05 3gbm s VAL 210 Cb -0.15 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3gbm s VAL 210 CO 0.05 -0.30 0.13 0.21 0.00 0.00 0.00 175.10 175.19 3gbm s ASN 211 N 1.08 6.33 -0.43 3.32 2.47 0.43 -2.64 114.94 125.51 3gbm s ASN 211 Ca 0.00 0.42 0.02 0.00 0.42 0.00 0.00 52.86 53.72 3gbm s ASN 211 Cb -0.20 -2.06 0.14 0.00 -1.45 0.00 0.00 41.25 37.69 3gbm s ASN 211 CO -0.06 0.37 0.26 -2.28 -3.72 0.00 0.00 177.10 171.67 3gbm s HIS 212 N -0.80 1.66 0.24 0.43 5.65 -0.62 -1.09 115.29 120.76 3gbm s HIS 212 Ca 0.14 -2.26 -0.12 0.00 0.25 0.00 0.00 55.06 53.07 3gbm s HIS 212 Cb -0.12 -1.59 0.33 0.00 -1.18 0.00 0.00 32.58 30.03 3gbm s HIS 212 CO 0.03 -0.79 1.58 1.57 -0.65 0.00 0.00 174.74 176.49 3gbm h LYS 213 N 6.62 -0.02 0.00 2.88 -0.00 -1.86 -2.37 116.57 121.82 3gbm h LYS 213 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.70 3gbm h LYS 213 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.16 3gbm h LYS 213 CO 0.43 -0.01 0.00 -2.30 -0.00 0.00 0.00 179.45 177.57 3gbm n PRO 214 N -5.53 0.15 -0.47 0.07 -0.02 -1.26 -1.86 135.00 126.08 3gbm n PRO 214 Ca 0.11 0.49 0.05 0.00 -2.02 0.00 0.00 63.50 62.14 3gbm n PRO 214 Cb 0.42 -1.85 0.09 0.00 -0.02 0.00 0.00 33.50 32.14 3gbm n PRO 214 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gbm n SER 215 N -2.14 1.35 -2.60 2.55 3.41 -0.93 -4.92 113.62 110.32 3gbm n SER 215 Ca 0.01 -2.75 -0.06 0.00 -0.26 0.00 0.00 58.87 55.81 3gbm n SER 215 Cb 0.15 -0.36 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3gbm n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gbm n ASN 216 N -0.70 -1.94 -4.48 4.04 4.13 -0.78 -4.84 115.26 110.70 3gbm n ASN 216 Ca 0.10 0.31 -0.43 0.00 1.68 0.00 0.00 54.58 56.24 3gbm n ASN 216 Cb 0.73 -1.74 -0.05 0.00 -1.54 0.00 0.00 39.78 37.18 3gbm n ASN 216 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3gbm s THR 217 N -2.26 4.59 -0.77 3.41 2.01 -1.16 -4.95 115.64 116.52 3gbm s THR 217 Ca 0.05 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 3gbm s THR 217 Cb -0.03 -4.46 0.19 0.00 0.01 0.00 0.00 72.50 68.21 3gbm s THR 217 CO 0.06 -1.04 0.61 -0.54 -0.69 0.00 0.00 174.62 173.02 3gbm s LYS 218 N 3.40 2.85 -0.14 4.92 1.02 -1.26 -1.59 119.74 128.95 3gbm s LYS 218 Ca 0.23 -3.09 -0.08 0.00 0.02 0.00 0.00 55.97 53.04 3gbm s LYS 218 Cb -0.16 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 3gbm s LYS 218 CO 0.15 -1.24 0.14 0.08 -0.92 0.00 0.00 175.35 173.56 3gbm s VAL 219 N -1.03 5.48 -0.18 3.17 1.01 -1.08 -4.96 120.40 122.80 3gbm s VAL 219 Ca 0.24 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 3gbm s VAL 219 Cb -0.11 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3gbm s VAL 219 CO -0.11 0.58 -0.08 -1.81 0.00 0.00 0.00 175.10 173.68 3gbm s ASP 220 N -0.71 4.22 -0.14 3.32 1.01 -1.26 -2.14 116.67 120.97 3gbm s ASP 220 Ca 0.14 -0.35 -0.00 0.00 0.71 0.00 0.00 52.55 53.05 3gbm s ASP 220 Cb -0.12 -1.69 0.03 0.00 1.01 0.00 0.00 42.92 42.15 3gbm s ASP 220 CO 0.03 0.07 -0.09 -0.54 0.21 0.00 0.00 175.17 174.84 3gbm s LYS 221 N 0.94 1.77 0.03 8.23 3.01 -1.02 -4.97 119.74 127.73 3gbm s LYS 221 Ca -0.01 -0.44 -0.30 0.00 -1.01 0.00 0.00 55.97 54.21 3gbm s LYS 221 Cb -0.15 -1.89 -0.05 0.00 -1.01 0.00 0.00 37.83 34.74 3gbm s LYS 221 CO 0.00 -0.30 1.13 1.03 0.51 0.00 0.00 175.35 177.72 3gbm s ARG 222 N 1.61 4.47 0.00 1.68 1.81 -1.26 -1.23 118.95 126.02 3gbm s ARG 222 Ca 0.04 1.65 0.14 0.00 -1.72 0.00 0.00 55.73 55.83 3gbm s ARG 222 Cb -0.13 -3.40 0.11 0.00 -0.45 0.00 0.00 34.95 31.07 3gbm s ARG 222 CO -0.09 -0.21 0.93 1.33 -0.68 0.00 0.00 175.30 176.58