#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggb n VAL 2 N 0.00 -7.91 -4.88 5.09 0.31 -0.77 -4.99 118.33 105.18 1ggb n VAL 2 Ca 0.00 1.56 -0.33 0.00 -0.01 0.00 0.00 64.34 65.56 1ggb n VAL 2 Cb 0.00 -4.95 -0.15 0.00 -0.91 0.00 0.00 33.84 27.83 1ggb n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ggb s GLN 3 N -0.60 3.31 -0.15 5.55 -0.44 -0.62 -4.93 119.66 121.77 1ggb s GLN 3 Ca -0.13 -0.73 0.00 0.00 -2.50 0.00 0.00 55.36 52.00 1ggb s GLN 3 Cb 0.01 -2.56 0.02 0.00 -1.64 0.00 0.00 33.01 28.85 1ggb s GLN 3 CO 0.46 0.20 -0.13 -0.51 0.50 0.00 0.00 175.29 175.81 1ggb s LEU 4 N 0.35 1.67 -0.15 3.68 1.43 -1.25 -1.75 118.68 122.66 1ggb s LEU 4 Ca -0.13 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1ggb s LEU 4 Cb -0.16 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 44.94 1ggb s LEU 4 CO 0.06 -0.07 -0.06 -1.10 0.23 0.00 0.00 176.35 175.42 1ggb s GLN 5 N 1.50 1.49 -0.07 1.70 -0.21 -0.29 -3.91 119.66 119.88 1ggb s GLN 5 Ca 0.05 -0.43 -0.12 0.00 0.02 0.00 0.00 55.36 54.88 1ggb s GLN 5 Cb -0.13 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 31.96 1ggb s GLN 5 CO -0.10 -0.37 0.30 -1.21 -2.12 0.00 0.00 175.29 171.79 1ggb s GLU 6 N 1.65 3.85 0.01 2.91 8.01 -1.25 -0.91 118.70 132.97 1ggb s GLU 6 Ca 0.02 0.18 0.03 0.00 0.01 0.00 0.00 54.97 55.21 1ggb s GLU 6 Cb -0.14 -3.26 -0.01 0.00 -4.31 0.00 0.00 34.13 26.40 1ggb s GLU 6 CO -0.08 0.61 -0.10 0.45 0.01 0.00 0.00 175.26 176.15 1ggb s SER 7 N -0.70 1.22 0.37 -0.19 0.15 0.65 -4.75 113.70 110.45 1ggb s SER 7 Ca 0.19 -0.31 -0.16 0.00 0.70 0.00 0.00 55.95 56.37 1ggb s SER 7 Cb -0.14 -0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.13 1ggb s SER 7 CO 0.08 0.04 0.82 -0.83 1.20 0.00 0.00 173.24 174.55 1ggb s GLY 8 N -0.70 0.37 1.13 9.45 0.00 -1.26 -0.71 107.32 115.60 1ggb s GLY 8 Ca 0.01 -0.73 -0.19 0.00 0.00 0.00 0.00 44.72 43.81 1ggb s GLY 8 CO 0.00 -0.06 1.22 2.56 0.00 0.00 0.00 173.10 176.82 1ggb s PRO 9 N -2.22 -0.66 -0.04 2.90 0.04 -1.26 -5.05 135.00 128.70 1ggb s PRO 9 Ca 0.16 -0.33 -0.08 0.00 0.04 0.00 0.00 61.00 60.80 1ggb s PRO 9 Cb -0.05 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 1ggb s PRO 9 CO 0.11 -3.30 -0.15 0.41 0.04 0.00 0.00 177.00 174.11 1ggb n GLY 10 N -2.25 -0.29 3.36 0.56 0.00 -1.26 -4.58 105.19 100.73 1ggb n GLY 10 Ca 0.16 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1ggb n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggb s ILE 11 N -2.21 2.11 -0.17 -0.61 1.01 -1.26 -0.08 121.20 119.98 1ggb s ILE 11 Ca -0.13 -1.63 -0.20 0.00 0.00 0.00 0.00 60.65 58.69 1ggb s ILE 11 Cb 0.02 -1.86 0.05 0.00 0.01 0.00 0.00 42.46 40.68 1ggb s ILE 11 CO 0.19 0.11 0.54 -0.22 0.00 0.00 0.00 174.94 175.57 1ggb s LEU 12 N -1.85 -0.08 0.24 2.97 2.96 -0.98 -4.95 118.68 116.99 1ggb s LEU 12 Ca 0.12 0.98 -0.22 0.00 -0.22 0.00 0.00 54.13 54.79 1ggb s LEU 12 Cb -0.10 1.91 -0.09 0.00 0.50 0.00 0.00 46.19 48.41 1ggb s LEU 12 CO 0.05 -0.26 0.79 -1.10 -1.32 0.00 0.00 176.35 174.51 1ggb s GLN 13 N -0.00 4.39 0.62 1.98 -0.21 -1.25 -1.30 119.66 123.90 1ggb s GLN 13 Ca -0.02 1.04 -0.17 0.00 0.02 0.00 0.00 55.36 56.22 1ggb s GLN 13 Cb -0.04 -2.93 -0.09 0.00 1.00 0.00 0.00 33.01 30.95 1ggb s GLN 13 CO 0.02 0.40 0.29 -2.30 -2.12 0.00 0.00 175.29 171.58 1ggb n PRO 14 N 0.85 0.30 -0.80 2.91 -0.02 -1.26 -2.28 135.00 134.70 1ggb n PRO 14 Ca -0.02 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1ggb n PRO 14 Cb 0.50 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1ggb n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ggb n SER 15 N 0.93 -1.10 -2.12 2.55 3.41 0.13 -4.92 113.62 112.51 1ggb n SER 15 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1ggb n SER 15 Cb 0.49 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1ggb n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggb n GLN 16 N -1.73 0.25 -4.81 4.33 6.02 -0.97 -4.14 117.38 116.33 1ggb n GLN 16 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1ggb n GLN 16 Cb 0.06 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.18 1ggb n GLN 16 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ggb s THR 17 N -0.68 3.03 -0.29 5.09 2.01 -1.26 -1.25 115.64 122.28 1ggb s THR 17 Ca 0.00 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 1ggb s THR 17 Cb 0.00 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1ggb s THR 17 CO 0.00 0.54 0.46 -0.22 -0.69 0.00 0.00 174.62 174.71 1ggb s LEU 18 N 0.14 4.15 -0.30 4.42 2.96 0.28 -4.94 118.68 125.40 1ggb s LEU 18 Ca -0.07 0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1ggb s LEU 18 Cb -0.15 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.03 1ggb s LEU 18 CO 0.05 -0.31 0.02 -0.44 -1.32 0.00 0.00 176.35 174.35 1ggb s SER 19 N 1.65 4.88 0.22 3.68 0.01 -1.26 -1.06 113.70 121.81 1ggb s SER 19 Ca 0.18 -1.05 0.08 0.00 1.31 0.00 0.00 55.95 56.47 1ggb s SER 19 Cb -0.16 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1ggb s SER 19 CO 0.11 -0.23 0.02 -0.76 0.41 0.00 0.00 173.24 172.78 1ggb s LEU 20 N 1.34 3.32 0.02 2.44 1.43 0.24 -4.41 118.68 123.06 1ggb s LEU 20 Ca -0.02 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1ggb s LEU 20 Cb -0.19 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1ggb s LEU 20 CO -0.00 0.04 -0.04 -0.89 0.23 0.00 0.00 176.35 175.69 1ggb s THR 21 N -1.98 0.18 -0.09 5.49 2.01 0.12 -1.86 115.64 119.51 1ggb s THR 21 Ca 0.29 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1ggb s THR 21 Cb -0.08 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1ggb s THR 21 CO 0.20 -0.43 -0.10 0.00 -0.69 0.00 0.00 174.62 173.60 1ggb s SER 23 N 1.15 4.37 0.17 0.00 0.01 -0.09 -0.63 113.70 118.68 1ggb s SER 23 Ca -0.05 -0.67 0.08 0.00 1.31 0.00 0.00 55.95 56.61 1ggb s SER 23 Cb -0.14 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 1ggb s SER 23 CO -0.02 -0.09 -0.05 0.72 0.41 0.00 0.00 173.24 174.20 1ggb s PHE 24 N 1.40 2.75 -0.03 2.43 -0.71 -0.91 -1.13 117.98 121.78 1ggb s PHE 24 Ca 0.03 -0.17 -0.03 0.00 -1.04 0.00 0.00 56.93 55.72 1ggb s PHE 24 Cb -0.16 -1.35 0.01 0.00 -1.21 0.00 0.00 43.02 40.31 1ggb s PHE 24 CO -0.03 0.50 0.09 -1.54 -1.34 0.00 0.00 175.22 172.90 1ggb s SER 25 N -2.79 -0.09 0.00 1.98 1.04 -0.72 -4.80 113.70 108.33 1ggb s SER 25 Ca 0.26 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1ggb s SER 25 Cb -0.09 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1ggb s SER 25 CO 0.17 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1ggb n GLY 26 N 3.13 1.34 2.88 7.32 0.00 -1.26 -1.59 105.19 117.00 1ggb n GLY 26 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1ggb n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ggb n PHE 27 N -0.05 -1.93 -3.88 1.61 -1.74 -1.26 -4.34 117.46 105.87 1ggb n PHE 27 Ca 0.00 -1.51 -0.11 0.00 -0.56 0.00 0.00 57.45 55.27 1ggb n PHE 27 Cb 0.00 0.67 -0.11 0.00 1.52 0.00 0.00 39.48 41.56 1ggb n PHE 27 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1ggb s SER 28 N -2.62 0.02 -0.00 5.98 0.15 -1.26 -5.02 113.70 110.95 1ggb s SER 28 Ca 0.14 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.69 1ggb s SER 28 Cb -0.03 0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1ggb s SER 28 CO 0.10 -0.23 0.97 -0.11 1.20 0.00 0.00 173.24 175.17 1ggb n LEU 29 N 2.07 0.39 -0.60 3.45 7.94 -1.26 -2.04 117.00 126.95 1ggb n LEU 29 Ca -0.19 -0.20 0.07 0.00 -1.11 0.00 0.00 56.01 54.59 1ggb n LEU 29 Cb 0.57 -0.10 0.06 0.00 0.53 0.00 0.00 43.42 44.48 1ggb n LEU 29 CO 0.21 0.09 0.49 -1.54 -1.11 0.00 0.00 177.39 175.53 1ggb n SER 30 N -0.31 2.25 -4.75 1.96 3.41 -1.26 -4.20 113.62 110.72 1ggb n SER 30 Ca 0.02 -1.62 -0.41 0.00 -0.26 0.00 0.00 58.87 56.59 1ggb n SER 30 Cb 0.08 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1ggb n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ggb s THR 31 N -1.23 2.74 0.28 6.66 2.01 -0.87 -4.91 115.64 120.33 1ggb s THR 31 Ca 0.17 0.65 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 1ggb s THR 31 Cb 0.12 -3.41 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 1ggb s THR 31 CO 0.19 0.11 1.54 -0.47 -0.69 0.00 0.00 174.62 175.30 1ggb s TYR 32 N -0.26 2.83 0.00 4.92 5.04 -1.26 -1.48 117.35 127.14 1ggb s TYR 32 Ca 0.56 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1ggb s TYR 32 Cb -0.41 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 37.92 1ggb s TYR 32 CO 0.45 -3.25 0.00 0.41 -1.34 0.00 0.00 175.55 171.82 1ggb n GLY 33 N 2.05 1.61 3.91 8.97 0.00 -1.26 -5.03 105.19 115.43 1ggb n GLY 33 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1ggb n GLY 33 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ggb s MET 34 N -0.41 2.94 0.00 1.61 0.00 -0.55 -4.85 119.30 118.04 1ggb s MET 34 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 55.69 55.80 1ggb s MET 34 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 34.83 32.61 1ggb s MET 34 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.02 174.68 1ggb n GLY 35 N -2.66 1.29 3.17 2.11 0.00 -1.26 0.56 105.19 108.39 1ggb n GLY 35 Ca 0.05 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 1ggb n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggb s VAL 35 N -2.00 1.52 0.09 1.61 1.01 -0.85 -0.11 120.40 121.68 1ggb s VAL 35 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1ggb s VAL 35 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1ggb s VAL 35 CO 0.00 0.43 0.01 -0.44 0.00 0.00 0.00 175.10 175.10 1ggb s SER 35 N -0.12 5.07 -0.15 3.32 0.01 0.63 -1.72 113.70 120.74 1ggb s SER 35 Ca -0.01 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 1ggb s SER 35 Cb -0.11 -1.22 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 1ggb s SER 35 CO 0.02 0.17 -0.03 0.26 0.41 0.00 0.00 173.24 174.07 1ggb s TRP 36 N -1.33 3.04 0.05 2.43 0.52 -1.04 -0.44 118.94 122.17 1ggb s TRP 36 Ca 0.26 -0.25 0.07 0.00 0.02 0.00 0.00 56.10 56.20 1ggb s TRP 36 Cb -0.12 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 1ggb s TRP 36 CO 0.19 -0.00 -0.20 0.42 0.02 0.00 0.00 176.95 177.38 1ggb s ILE 37 N 0.31 1.61 0.18 2.03 1.01 -0.92 -0.98 121.20 124.44 1ggb s ILE 37 Ca -0.03 -1.20 0.10 0.00 0.00 0.00 0.00 60.65 59.53 1ggb s ILE 37 Cb -0.14 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1ggb s ILE 37 CO 0.03 0.17 -0.22 0.00 0.00 0.00 0.00 174.94 174.92 1ggb s ARG 38 N -1.22 1.42 -0.26 2.79 1.70 0.33 -0.94 118.95 122.78 1ggb s ARG 38 Ca 0.07 -1.48 -0.01 0.00 -0.47 0.00 0.00 55.73 53.83 1ggb s ARG 38 Cb -0.09 -1.64 0.08 0.00 -0.57 0.00 0.00 34.95 32.73 1ggb s ARG 38 CO 0.02 0.35 0.05 -1.14 -1.08 0.00 0.00 175.30 173.50 1ggb s GLN 39 N -2.73 0.89 0.73 3.89 0.74 0.50 -0.78 119.66 122.91 1ggb s GLN 39 Ca 0.19 -0.90 -0.11 0.00 0.05 0.00 0.00 55.36 54.59 1ggb s GLN 39 Cb -0.07 -2.18 0.03 0.00 1.10 0.00 0.00 33.01 31.90 1ggb s GLN 39 CO 0.09 -0.82 1.08 -1.25 -0.55 0.00 0.00 175.29 173.84 1ggb s PRO 40 N 1.62 2.55 -0.52 1.67 0.04 -1.26 -1.43 135.00 137.67 1ggb s PRO 40 Ca 0.04 1.12 -0.36 0.00 0.04 0.00 0.00 61.00 61.84 1ggb s PRO 40 Cb -0.18 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.28 1ggb s PRO 40 CO -0.16 -1.41 2.29 0.43 0.04 0.00 0.00 177.00 178.19 1ggb n SER 41 N -3.27 1.45 0.00 6.66 7.64 -1.25 -2.23 113.62 122.62 1ggb n SER 41 Ca 0.09 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1ggb n SER 41 Cb 0.53 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1ggb n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ggb n GLY 42 N 6.73 2.23 2.22 0.23 0.00 -1.26 -4.97 105.19 110.38 1ggb n GLY 42 Ca 0.49 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 1ggb n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ggb n LYS 43 N 0.00 -2.43 -2.55 1.61 5.02 -0.95 -5.08 118.16 113.78 1ggb n LYS 43 Ca 0.00 -1.10 -0.24 0.00 -2.02 0.00 0.00 58.31 54.94 1ggb n LYS 43 Cb 0.00 -1.05 0.13 0.00 -0.02 0.00 0.00 35.03 34.09 1ggb n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ggb s GLY 44 N -3.71 1.75 0.39 0.72 0.00 -1.26 -4.60 107.32 100.61 1ggb s GLY 44 Ca 0.45 -1.82 -0.27 0.00 0.00 0.00 0.00 44.72 43.08 1ggb s GLY 44 CO 0.35 -1.17 1.40 1.08 0.00 0.00 0.00 173.10 174.75 1ggb s LEU 45 N -5.27 4.28 -0.08 0.66 1.43 -1.26 -4.25 118.68 114.19 1ggb s LEU 45 Ca 0.69 2.86 0.01 0.00 -1.03 0.00 0.00 54.13 56.66 1ggb s LEU 45 Cb -0.04 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 42.43 1ggb s LEU 45 CO 0.46 -0.85 -0.09 -0.70 0.23 0.00 0.00 176.35 175.40 1ggb s GLU 46 N -2.13 1.44 0.19 1.70 2.12 0.04 -4.96 118.70 117.11 1ggb s GLU 46 Ca 0.54 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 1ggb s GLU 46 Cb -0.43 -1.34 -0.08 0.00 0.26 0.00 0.00 34.13 32.54 1ggb s GLU 46 CO 0.57 -0.10 1.03 -0.46 -0.54 0.00 0.00 175.26 175.76 1ggb s TRP 47 N 1.10 3.74 -0.13 5.30 -0.00 -1.26 -0.51 118.94 127.16 1ggb s TRP 47 Ca -0.07 1.74 -0.12 0.00 -0.00 0.00 0.00 56.10 57.64 1ggb s TRP 47 Cb -0.14 -3.16 -0.06 0.00 -0.00 0.00 0.00 33.47 30.11 1ggb s TRP 47 CO -0.01 -0.16 -0.26 1.28 -0.00 0.00 0.00 176.95 177.80 1ggb n LEU 48 N 2.07 1.64 -3.93 5.86 4.77 -0.15 -4.73 117.00 122.54 1ggb n LEU 48 Ca 0.01 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1ggb n LEU 48 Cb 0.47 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1ggb n LEU 48 CO 0.52 -0.16 0.36 0.00 -1.33 0.00 0.00 177.39 176.79 1ggb s ALA 49 N -2.58 -0.15 -0.24 -1.18 0.00 -1.19 -1.22 121.76 115.21 1ggb s ALA 49 Ca -0.23 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.53 1ggb s ALA 49 Cb 0.05 0.89 0.07 0.00 0.00 0.00 0.00 23.12 24.13 1ggb s ALA 49 CO 0.33 -0.91 0.59 -1.58 0.00 0.00 0.00 175.76 174.19 1ggb s HIS 50 N -2.73 -0.86 -0.07 0.00 2.46 -0.32 -2.49 115.29 111.28 1ggb s HIS 50 Ca 0.21 1.79 0.03 0.00 0.47 0.00 0.00 55.06 57.57 1ggb s HIS 50 Cb -0.03 0.45 -0.02 0.00 -0.13 0.00 0.00 32.58 32.85 1ggb s HIS 50 CO 0.15 -0.44 -0.17 -1.50 -2.47 0.00 0.00 174.74 170.31 1ggb s ILE 51 N 1.33 2.82 0.57 0.89 2.07 -0.70 -1.08 121.20 127.10 1ggb s ILE 51 Ca -0.08 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 1ggb s ILE 51 Cb -0.06 -2.11 0.04 0.00 0.13 0.00 0.00 42.46 40.46 1ggb s ILE 51 CO -0.14 0.57 0.81 -0.36 -1.91 0.00 0.00 174.94 173.91 1ggb s PHE 52 N -0.32 2.85 0.38 3.50 0.08 0.10 -2.00 117.98 122.58 1ggb s PHE 52 Ca 0.02 0.05 0.08 0.00 0.12 0.00 0.00 56.93 57.20 1ggb s PHE 52 Cb -0.13 -2.82 0.82 0.00 -0.57 0.00 0.00 43.02 40.32 1ggb s PHE 52 CO 0.02 -0.96 1.98 0.11 -0.10 0.00 0.00 175.22 176.27 1ggb h TRP 53 N -0.03 0.66 -0.27 0.36 0.09 -0.05 -0.40 115.95 116.29 1ggb h TRP 53 Ca -0.42 0.02 -0.04 0.00 0.09 0.00 0.00 58.89 58.53 1ggb h TRP 53 Cb 1.30 -0.22 -0.02 0.00 0.08 0.00 0.00 29.16 30.30 1ggb h TRP 53 CO 0.36 0.35 0.05 -0.40 0.09 0.00 0.00 178.44 178.89 1ggb n ASP 54 N -4.48 3.06 0.00 0.11 5.75 -1.26 -4.68 116.55 115.04 1ggb n ASP 54 Ca 0.09 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1ggb n ASP 54 Cb 0.24 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1ggb n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggb n GLY 55 N 0.18 2.02 3.66 6.12 0.00 -0.16 -4.94 105.19 112.07 1ggb n GLY 55 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ggb n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ggb s ASP 56 N -1.55 6.62 -0.09 1.61 2.15 -1.26 -4.62 116.67 119.52 1ggb s ASP 56 Ca 0.00 2.34 -0.12 0.00 0.43 0.00 0.00 52.55 55.20 1ggb s ASP 56 Cb 0.00 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 1ggb s ASP 56 CO 0.00 -0.95 0.29 -0.54 -0.17 0.00 0.00 175.17 173.79 1ggb s LYS 57 N 4.11 3.90 -0.02 4.34 1.02 -1.26 0.01 119.74 131.84 1ggb s LYS 57 Ca 0.77 0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.94 1ggb s LYS 57 Cb -0.36 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 1ggb s LYS 57 CO 0.32 0.55 -0.15 1.03 -0.92 0.00 0.00 175.35 176.18 1ggb s ARG 58 N -0.50 1.39 0.33 1.68 1.81 -0.24 -5.00 118.95 118.43 1ggb s ARG 58 Ca 0.18 -0.54 0.09 0.00 -1.72 0.00 0.00 55.73 53.75 1ggb s ARG 58 Cb -0.14 -1.28 -0.06 0.00 -0.45 0.00 0.00 34.95 33.02 1ggb s ARG 58 CO 0.07 0.28 -0.03 0.71 -0.68 0.00 0.00 175.30 175.65 1ggb s TYR 59 N -0.16 2.50 -0.06 -0.53 2.02 -1.26 -1.18 117.35 118.68 1ggb s TYR 59 Ca 0.02 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 1ggb s TYR 59 Cb -0.08 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1ggb s TYR 59 CO 0.00 0.53 1.11 1.21 -1.57 0.00 0.00 175.55 176.83 1ggb s ASN 60 N -3.67 7.16 0.05 2.29 3.84 -0.35 -4.94 114.94 119.31 1ggb s ASN 60 Ca 0.34 1.71 -0.12 0.00 0.21 0.00 0.00 52.86 54.99 1ggb s ASN 60 Cb -0.00 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.10 1ggb s ASN 60 CO 0.18 -0.49 1.21 1.55 -2.79 0.00 0.00 177.10 176.76 1ggb h PRO 61 N 7.21 -0.10 -0.75 0.43 0.13 -1.95 0.29 132.00 137.26 1ggb h PRO 61 Ca -0.34 0.01 0.15 0.00 -0.87 0.00 0.00 66.00 64.95 1ggb h PRO 61 Cb 1.17 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1ggb h PRO 61 CO 0.85 -0.06 -0.19 0.77 -0.23 0.00 0.00 178.00 179.13 1ggb h SER 62 N -0.10 -0.72 1.22 1.44 0.02 -2.00 -1.47 113.55 111.95 1ggb h SER 62 Ca 0.04 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1ggb h SER 62 Cb 0.20 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1ggb h SER 62 CO -0.28 -0.25 -0.25 0.18 -1.14 0.00 0.00 176.83 175.10 1ggb n LEU 63 N -5.50 0.75 -0.29 5.07 7.99 -1.11 -4.55 117.00 119.37 1ggb n LEU 63 Ca 0.10 0.43 0.08 0.00 -0.01 0.00 0.00 56.01 56.61 1ggb n LEU 63 Cb 0.39 -0.27 0.16 0.00 -0.11 0.00 0.00 43.42 43.59 1ggb n LEU 63 CO -0.01 -0.13 0.58 1.17 -1.51 0.00 0.00 177.39 177.50 1ggb n LYS 64 N -2.18 -0.07 0.31 3.23 4.81 0.10 -0.96 118.16 123.40 1ggb n LYS 64 Ca 0.05 1.25 0.18 0.00 -0.87 0.00 0.00 58.31 58.92 1ggb n LYS 64 Cb 0.43 -1.91 1.01 0.00 0.02 0.00 0.00 35.03 34.57 1ggb n LYS 64 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1ggb h SER 65 N 0.00 0.00 -0.01 3.14 0.02 -1.80 -1.94 113.55 112.96 1ggb h SER 65 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1ggb h SER 65 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1ggb h SER 65 CO -0.81 0.02 -0.46 0.54 -1.14 0.00 0.00 176.83 174.97 1ggb n ARG 66 N -3.48 1.98 -3.85 3.45 1.74 -0.14 -4.93 116.66 111.43 1ggb n ARG 66 Ca -0.03 -0.45 -0.35 0.00 -0.77 0.00 0.00 57.85 56.26 1ggb n ARG 66 Cb 0.11 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1ggb n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ggb s LEU 67 N -2.26 4.38 -0.24 0.55 1.43 -0.73 -2.06 118.68 119.74 1ggb s LEU 67 Ca 0.09 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1ggb s LEU 67 Cb 0.12 -2.50 0.10 0.00 0.03 0.00 0.00 46.19 43.93 1ggb s LEU 67 CO 0.47 0.30 0.22 -0.75 0.23 0.00 0.00 176.35 176.81 1ggb s LYS 68 N -1.66 0.22 0.52 1.70 2.20 -0.37 -4.95 119.74 117.39 1ggb s LYS 68 Ca 0.24 -0.03 -0.05 0.00 -0.36 0.00 0.00 55.97 55.77 1ggb s LYS 68 Cb -0.13 -1.11 -0.02 0.00 -1.51 0.00 0.00 37.83 35.07 1ggb s LYS 68 CO 0.14 -0.82 0.83 0.42 -0.36 0.00 0.00 175.35 175.56 1ggb s ILE 69 N 2.28 4.40 0.03 5.43 1.01 -1.26 -2.66 121.20 130.44 1ggb s ILE 69 Ca 0.08 0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.56 1ggb s ILE 69 Cb -0.15 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.71 1ggb s ILE 69 CO -0.21 -0.69 0.78 -0.44 0.00 0.00 0.00 174.94 174.38 1ggb s SER 70 N -4.19 -0.46 0.15 3.58 0.01 -1.07 -4.96 113.70 106.77 1ggb s SER 70 Ca 0.50 0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.88 1ggb s SER 70 Cb -0.10 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 1ggb s SER 70 CO 0.45 -0.72 -0.08 -0.54 0.41 0.00 0.00 173.24 172.77 1ggb s LYS 71 N -3.02 1.06 -0.33 12.44 1.02 -1.26 -0.36 119.74 129.30 1ggb s LYS 71 Ca 0.02 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.56 1ggb s LYS 71 Cb -0.01 -0.53 0.15 0.00 -0.52 0.00 0.00 37.83 36.92 1ggb s LYS 71 CO -0.08 0.02 0.39 0.34 -0.92 0.00 0.00 175.35 175.10 1ggb s ASP 72 N -3.17 0.81 0.32 2.83 2.15 0.07 -4.95 116.67 114.74 1ggb s ASP 72 Ca 0.18 -0.93 0.11 0.00 0.43 0.00 0.00 52.55 52.35 1ggb s ASP 72 Cb 0.04 0.84 0.54 0.00 -0.30 0.00 0.00 42.92 44.03 1ggb s ASP 72 CO 0.01 -0.31 1.72 0.74 -0.17 0.00 0.00 175.17 177.16 1ggb h THR 73 N 5.71 1.35 0.00 1.71 2.02 -1.98 -1.28 112.91 120.44 1ggb h THR 73 Ca -0.04 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1ggb h THR 73 Cb 1.09 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1ggb h THR 73 CO 0.25 0.48 0.00 -1.54 0.37 0.00 0.00 175.52 175.08 1ggb n SER 74 N -3.96 0.00 0.00 4.18 3.41 -1.26 -2.28 113.62 113.71 1ggb n SER 74 Ca -0.02 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1ggb n SER 74 Cb 0.51 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1ggb n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ggb n ASN 75 N -1.25 0.62 -3.34 4.04 4.13 -0.55 -5.02 115.26 113.89 1ggb n ASN 75 Ca 0.06 -0.87 -0.16 0.00 1.68 0.00 0.00 54.58 55.28 1ggb n ASN 75 Cb 0.08 0.17 0.08 0.00 -1.54 0.00 0.00 39.78 38.57 1ggb n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1ggb n ASN 76 N -0.17 -4.65 -3.84 6.41 5.03 -0.77 -4.89 115.26 112.37 1ggb n ASN 76 Ca 0.00 -0.68 -0.19 0.00 0.87 0.00 0.00 54.58 54.58 1ggb n ASN 76 Cb 0.04 -5.13 -0.16 0.00 -1.02 0.00 0.00 39.78 33.51 1ggb n ASN 76 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1ggb s GLN 77 N -4.84 0.58 -0.05 3.52 -0.21 -1.14 -2.14 119.66 115.37 1ggb s GLN 77 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 55.36 55.63 1ggb s GLN 77 Cb -0.04 -0.71 -0.04 0.00 1.00 0.00 0.00 33.01 33.22 1ggb s GLN 77 CO 0.74 -0.14 0.04 0.08 -2.12 0.00 0.00 175.29 173.89 1ggb s VAL 78 N 1.13 4.56 0.20 1.09 1.01 0.20 -0.75 120.40 127.84 1ggb s VAL 78 Ca -0.08 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 61.71 1ggb s VAL 78 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1ggb s VAL 78 CO -0.01 0.49 -0.22 -0.36 0.00 0.00 0.00 175.10 174.99 1ggb s PHE 79 N -1.03 2.22 0.01 5.22 0.08 0.52 -0.19 117.98 124.81 1ggb s PHE 79 Ca 0.18 -0.37 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 1ggb s PHE 79 Cb -0.12 -1.07 -0.01 0.00 -0.57 0.00 0.00 43.02 41.25 1ggb s PHE 79 CO 0.07 0.51 -0.02 -1.17 -0.10 0.00 0.00 175.22 174.52 1ggb s LEU 80 N -2.81 2.13 -0.03 -0.37 2.96 -0.78 -2.60 118.68 117.19 1ggb s LEU 80 Ca 0.21 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1ggb s LEU 80 Cb -0.07 0.06 0.03 0.00 0.50 0.00 0.00 46.19 46.70 1ggb s LEU 80 CO 0.10 -0.17 0.00 -0.75 -1.32 0.00 0.00 176.35 174.22 1ggb s LYS 81 N -0.81 0.30 -0.10 1.98 2.20 -1.09 -0.59 119.74 121.63 1ggb s LYS 81 Ca -0.09 0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 1ggb s LYS 81 Cb -0.06 -0.48 0.02 0.00 -1.51 0.00 0.00 37.83 35.80 1ggb s LYS 81 CO -0.01 -0.14 -0.13 0.42 -0.36 0.00 0.00 175.35 175.14 1ggb s ILE 82 N 1.02 1.33 0.26 5.43 1.01 -0.23 -1.24 121.20 128.78 1ggb s ILE 82 Ca -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1ggb s ILE 82 Cb -0.14 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 1ggb s ILE 82 CO -0.02 0.41 0.43 0.42 0.00 0.00 0.00 174.94 176.18 1ggb s THR 82 N 0.98 5.20 -1.02 2.92 -4.23 -0.88 -0.55 115.64 118.06 1ggb s THR 82 Ca -0.08 -0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 59.67 1ggb s THR 82 Cb -0.15 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 1ggb s THR 82 CO -0.01 -0.36 0.81 -1.20 -0.54 0.00 0.00 174.62 173.31 1ggb n SER 82 N -1.33 -6.12 -4.77 3.99 7.64 -0.49 -4.86 113.62 107.67 1ggb n SER 82 Ca -0.06 -0.76 -0.37 0.00 1.01 0.00 0.00 58.87 58.68 1ggb n SER 82 Cb 0.56 -4.14 -0.01 0.00 -1.01 0.00 0.00 64.21 59.61 1ggb n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ggb s VAL 82 N -3.33 3.16 0.24 0.44 -7.23 -0.38 -4.69 120.40 108.62 1ggb s VAL 82 Ca 0.36 0.87 0.02 0.00 -1.81 0.00 0.00 61.98 61.42 1ggb s VAL 82 Cb -0.10 -3.44 -0.05 0.00 0.56 0.00 0.00 36.38 33.36 1ggb s VAL 82 CO 0.81 -0.02 0.04 1.51 -0.31 0.00 0.00 175.10 177.13 1ggb s ASP 83 N -1.40 1.52 0.58 4.85 -4.77 -1.26 0.22 116.67 116.40 1ggb s ASP 83 Ca 0.64 -1.28 0.32 0.00 -3.30 0.00 0.00 52.55 48.93 1ggb s ASP 83 Cb -0.28 0.08 1.38 0.00 -1.09 0.00 0.00 42.92 43.01 1ggb s ASP 83 CO 0.34 -0.61 1.70 0.74 0.70 0.00 0.00 175.17 178.03 1ggb h THR 84 N 2.46 0.26 0.00 2.11 2.02 -1.96 -0.03 112.91 117.76 1ggb h THR 84 Ca -0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1ggb h THR 84 Cb 1.23 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1ggb h THR 84 CO 0.63 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 176.47 1ggb h ALA 85 N 1.17 1.06 0.00 6.16 0.00 -1.96 -2.39 119.26 123.30 1ggb h ALA 85 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1ggb h ALA 85 Cb 2.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1ggb h ALA 85 CO -0.00 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 1ggb n ASP 86 N -3.23 0.00 -4.65 0.00 8.00 -0.03 -4.61 116.55 112.03 1ggb n ASP 86 Ca -0.01 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.01 1ggb n ASP 86 Cb 0.26 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1ggb n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ggb s THR 87 N -2.58 3.56 0.18 -3.53 2.01 -0.90 -4.83 115.64 109.55 1ggb s THR 87 Ca 0.23 0.66 -0.23 0.00 0.31 0.00 0.00 61.69 62.66 1ggb s THR 87 Cb 0.17 -3.47 0.07 0.00 0.01 0.00 0.00 72.50 69.28 1ggb s THR 87 CO 0.38 -0.11 1.00 0.00 -0.69 0.00 0.00 174.62 175.21 1ggb s ALA 88 N 4.51 -1.59 -0.21 7.40 0.00 -1.20 -3.96 121.76 126.70 1ggb s ALA 88 Ca 0.75 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.46 1ggb s ALA 88 Cb -0.32 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 1ggb s ALA 88 CO 0.30 -1.05 0.13 0.99 0.00 0.00 0.00 175.76 176.13 1ggb s THR 89 N -2.61 5.23 -0.08 0.00 2.01 -0.51 -2.22 115.64 117.45 1ggb s THR 89 Ca 0.18 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 62.15 1ggb s THR 89 Cb -0.02 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1ggb s THR 89 CO 0.04 0.40 0.42 -0.31 -0.69 0.00 0.00 174.62 174.48 1ggb s TYR 90 N 0.69 3.58 0.14 4.92 1.51 0.39 -0.37 117.35 128.22 1ggb s TYR 90 Ca 0.07 0.87 0.10 0.00 -1.01 0.00 0.00 57.07 57.10 1ggb s TYR 90 Cb -0.12 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.27 1ggb s TYR 90 CO 0.01 0.36 -0.24 0.71 -1.11 0.00 0.00 175.55 175.28 1ggb s TYR 91 N -0.03 2.13 -0.16 2.71 2.02 -0.11 -1.41 117.35 122.49 1ggb s TYR 91 Ca 0.23 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1ggb s TYR 91 Cb -0.15 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.26 1ggb s TYR 91 CO 0.10 0.34 -0.06 0.00 -1.57 0.00 0.00 175.55 174.36 1ggb s VAL 93 N 0.54 0.47 0.10 0.00 1.01 0.41 0.21 120.40 123.14 1ggb s VAL 93 Ca -0.04 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1ggb s VAL 93 Cb -0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.63 1ggb s VAL 93 CO 0.03 0.23 1.19 -1.58 0.00 0.00 0.00 175.10 174.97 1ggb s GLN 94 N 1.18 4.46 0.00 2.72 0.74 0.77 -0.27 119.66 129.26 1ggb s GLN 94 Ca -0.07 1.79 0.00 0.00 0.05 0.00 0.00 55.36 57.13 1ggb s GLN 94 Cb -0.14 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1ggb s GLN 94 CO -0.01 -0.18 0.00 0.39 -0.55 0.00 0.00 175.29 174.93 1ggb n GLU 95 N 3.44 -1.21 -0.96 1.67 1.02 0.85 -1.54 120.64 123.90 1ggb n GLU 95 Ca 0.07 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1ggb n GLU 95 Cb 0.46 -4.78 0.00 0.00 -0.02 0.00 0.00 31.44 27.10 1ggb n GLU 95 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggb n GLY 96 N -0.17 0.42 0.00 0.62 0.00 -1.06 -4.72 105.19 100.27 1ggb n GLY 96 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1ggb n GLY 96 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ggb n TYR 97 N -2.96 0.00 0.05 1.61 4.11 -0.59 -5.02 117.16 114.36 1ggb n TYR 97 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.72 1ggb n TYR 97 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.20 1ggb n TYR 97 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.86 177.83 1ggb h ILE 101 N 0.00 0.98 -3.20 -3.48 2.10 -1.69 -3.44 117.51 108.78 1ggb h ILE 101 Ca 0.00 -2.64 -0.51 0.00 1.08 0.00 0.00 64.86 62.79 1ggb h ILE 101 Cb 0.00 2.69 -0.37 0.00 -1.09 0.00 0.00 36.82 38.05 1ggb h ILE 101 CO 0.00 0.81 -0.80 -0.47 -1.08 0.00 0.00 178.15 176.62 1ggb s TYR 102 N -2.60 1.33 -0.15 2.19 6.14 -1.24 -4.97 117.35 118.05 1ggb s TYR 102 Ca -0.13 -0.63 -0.08 0.00 0.64 0.00 0.00 57.07 56.88 1ggb s TYR 102 Cb 0.06 -1.15 -0.04 0.00 0.42 0.00 0.00 41.96 41.25 1ggb s TYR 102 CO 0.84 -0.47 0.12 -1.58 0.64 0.00 0.00 175.55 175.09 1ggb s TRP 103 N 1.73 3.48 0.00 4.97 0.52 -1.26 -0.16 118.94 128.22 1ggb s TRP 103 Ca 0.05 0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.57 1ggb s TRP 103 Cb -0.13 -2.01 0.00 0.00 -1.15 0.00 0.00 33.47 30.18 1ggb s TRP 103 CO -0.07 0.53 0.00 0.41 0.02 0.00 0.00 176.95 177.83 1ggb n GLY 104 N 2.63 -2.06 0.14 0.98 0.00 0.13 -4.84 105.19 102.16 1ggb n GLY 104 Ca -0.18 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 1ggb n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ggb h GLN 105 N 0.00 0.41 0.00 1.61 1.08 -1.87 -3.45 115.11 112.88 1ggb h GLN 105 Ca 0.00 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 1ggb h GLN 105 Cb 0.00 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1ggb h GLN 105 CO 0.00 1.24 0.00 0.41 -0.95 0.00 0.00 178.83 179.53 1ggb n GLY 106 N 1.43 2.63 3.04 3.46 0.00 -1.26 -5.04 105.19 109.44 1ggb n GLY 106 Ca -0.13 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 1ggb n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ggb s THR 107 N -2.74 -0.04 -0.09 2.61 -1.32 -0.50 -4.75 115.64 108.81 1ggb s THR 107 Ca 0.00 0.15 -0.27 0.00 -1.21 0.00 0.00 61.69 60.36 1ggb s THR 107 Cb 0.00 -0.36 -0.02 0.00 -1.51 0.00 0.00 72.50 70.61 1ggb s THR 107 CO 0.00 0.06 0.88 -0.44 -2.21 0.00 0.00 174.62 172.91 1ggb s SER 108 N 1.22 7.13 0.14 8.08 0.01 -1.26 -0.46 113.70 128.57 1ggb s SER 108 Ca -0.09 1.38 0.08 0.00 1.31 0.00 0.00 55.95 58.63 1ggb s SER 108 Cb -0.10 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1ggb s SER 108 CO -0.08 -0.31 -0.09 0.68 0.41 0.00 0.00 173.24 173.85 1ggb s VAL 109 N 1.52 3.34 -0.15 3.43 -7.23 -0.94 -4.67 120.40 115.69 1ggb s VAL 109 Ca 0.44 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1ggb s VAL 109 Cb -0.18 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.19 1ggb s VAL 109 CO 0.19 0.01 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.08 1ggb s THR 110 N -1.43 0.82 -0.28 5.32 2.01 0.89 -3.24 115.64 119.73 1ggb s THR 110 Ca 0.23 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 1ggb s THR 110 Cb -0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1ggb s THR 110 CO 0.15 0.11 0.15 0.68 -0.69 0.00 0.00 174.62 175.03 1ggb s VAL 111 N 1.76 4.93 0.06 3.82 -7.23 -1.26 -2.31 120.40 120.17 1ggb s VAL 111 Ca 0.02 -0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.03 1ggb s VAL 111 Cb -0.15 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.44 1ggb s VAL 111 CO -0.07 0.23 0.28 -0.55 -0.31 0.00 0.00 175.10 174.68 1ggb s SER 112 N 1.70 -0.08 -0.02 4.85 0.15 -0.42 -4.67 113.70 115.21 1ggb s SER 112 Ca 0.06 -0.29 0.22 0.00 0.70 0.00 0.00 55.95 56.65 1ggb s SER 112 Cb -0.16 0.36 -0.29 0.00 -1.71 0.00 0.00 66.02 64.22 1ggb s SER 112 CO 0.08 -0.64 0.62 -1.54 1.20 0.00 0.00 173.24 172.96 1ggb n SER 113 N 0.44 0.31 -4.73 5.45 3.41 -1.26 -3.79 113.62 113.45 1ggb n SER 113 Ca -0.18 -0.28 -0.37 0.00 -0.26 0.00 0.00 58.87 57.79 1ggb n SER 113 Cb 0.60 1.66 0.08 0.00 -0.26 0.00 0.00 64.21 66.29 1ggb n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggb s ALA 114 N -3.36 2.31 0.53 7.33 0.00 -1.26 -5.04 121.76 122.27 1ggb s ALA 114 Ca -0.03 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.15 1ggb s ALA 114 Cb 0.14 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1ggb s ALA 114 CO 0.89 -1.68 0.29 -1.59 0.00 0.00 0.00 175.76 173.67 1ggb s LYS 115 N -3.47 2.24 -0.21 0.00 -2.85 -1.26 -5.01 119.74 109.19 1ggb s LYS 115 Ca 0.82 -2.10 -0.29 0.00 -1.00 0.00 0.00 55.97 53.40 1ggb s LYS 115 Cb -0.37 -1.95 -0.04 0.00 -2.06 0.00 0.00 37.83 33.41 1ggb s LYS 115 CO 0.41 -0.53 1.92 0.99 0.10 0.00 0.00 175.35 178.24 1ggb s THR 116 N -2.79 3.31 -0.12 3.79 2.01 -1.26 -4.59 115.64 115.99 1ggb s THR 116 Ca 0.27 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.63 1ggb s THR 116 Cb -0.01 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.16 1ggb s THR 116 CO 0.17 -0.18 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.82 1ggb s THR 117 N 6.52 1.89 0.35 -0.82 2.01 -0.55 -4.93 115.64 120.10 1ggb s THR 117 Ca 0.86 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 61.83 1ggb s THR 117 Cb -0.30 -1.67 -0.08 0.00 0.01 0.00 0.00 72.50 70.46 1ggb s THR 117 CO 0.34 0.52 0.76 0.00 -0.69 0.00 0.00 174.62 175.55 1ggb s ALA 118 N 0.78 3.31 0.61 7.40 0.00 -1.26 -1.21 121.76 131.39 1ggb s ALA 118 Ca -0.09 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1ggb s ALA 118 Cb -0.16 -2.78 0.04 0.00 0.00 0.00 0.00 23.12 20.22 1ggb s ALA 118 CO 0.00 0.24 0.89 -1.25 0.00 0.00 0.00 175.76 175.64 1ggb s PRO 119 N -3.20 2.51 -0.17 0.00 0.04 -1.26 -4.66 135.00 128.26 1ggb s PRO 119 Ca 0.54 -0.41 -0.06 0.00 0.04 0.00 0.00 61.00 61.12 1ggb s PRO 119 Cb -0.10 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1ggb s PRO 119 CO 0.20 -0.89 0.02 -1.12 0.04 0.00 0.00 177.00 175.26 1ggb s SER 120 N -4.42 5.31 -0.18 6.66 0.01 -0.11 -4.90 113.70 116.07 1ggb s SER 120 Ca 0.57 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.82 1ggb s SER 120 Cb -0.10 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 1ggb s SER 120 CO 0.42 0.19 -0.08 -0.69 0.41 0.00 0.00 173.24 173.49 1ggb s VAL 121 N 0.29 3.29 -0.05 3.43 1.01 -1.25 0.58 120.40 127.69 1ggb s VAL 121 Ca 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1ggb s VAL 121 Cb -0.13 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1ggb s VAL 121 CO 0.01 0.47 -0.12 -0.31 0.00 0.00 0.00 175.10 175.16 1ggb s TYR 122 N 0.91 1.33 0.48 5.22 2.02 0.40 -4.96 117.35 122.75 1ggb s TYR 122 Ca -0.02 -0.43 -0.24 0.00 -0.37 0.00 0.00 57.07 56.01 1ggb s TYR 122 Cb -0.15 -0.96 -0.07 0.00 -0.40 0.00 0.00 41.96 40.38 1ggb s TYR 122 CO 0.00 -0.21 1.37 -2.14 -1.57 0.00 0.00 175.55 173.01 1ggb s PRO 123 N 0.47 3.53 -0.29 -1.71 0.02 -1.26 -0.85 135.00 134.90 1ggb s PRO 123 Ca -0.10 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.23 1ggb s PRO 123 Cb -0.13 -2.51 0.08 0.00 0.02 0.00 0.00 34.50 31.96 1ggb s PRO 123 CO 0.02 -0.90 -0.02 -0.51 -0.33 0.00 0.00 177.00 175.27 1ggb s LEU 124 N -3.00 3.74 0.27 -5.54 1.43 0.78 -4.83 118.68 111.54 1ggb s LEU 124 Ca 0.64 -1.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.08 1ggb s LEU 124 Cb -0.41 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1ggb s LEU 124 CO 0.51 -0.29 0.43 0.00 0.23 0.00 0.00 176.35 177.23 1ggb s ALA 125 N 1.11 3.83 1.03 4.21 0.00 -1.26 -0.67 121.76 130.01 1ggb s ALA 125 Ca 0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1ggb s ALA 125 Cb -0.19 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.07 1ggb s ALA 125 CO -0.08 0.18 0.17 -2.30 0.00 0.00 0.00 175.76 173.73 1ggb n PRO 126 N -1.41 -1.10 -0.00 0.00 -0.02 -1.26 -4.95 135.00 126.25 1ggb n PRO 126 Ca -0.07 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 1ggb n PRO 126 Cb 0.56 -0.24 -0.00 0.00 -0.02 0.00 0.00 33.50 33.80 1ggb n PRO 126 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1ggb n VAL 127 N -2.74 0.00 -0.11 -1.45 0.24 -1.26 -4.57 118.33 108.44 1ggb n VAL 127 Ca 0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1ggb n VAL 127 Cb 0.09 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1ggb n VAL 127 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ggb s GLY 129 N -0.42 -2.00 -0.57 0.00 0.00 -1.26 -5.14 107.32 97.93 1ggb s GLY 129 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 44.72 45.37 1ggb s GLY 129 CO 0.00 4.46 1.85 1.34 0.00 0.00 0.00 173.10 180.75 1ggb n ASP 130 N 2.68 0.40 -3.09 1.64 -0.08 -1.26 -4.85 116.55 111.98 1ggb n ASP 130 Ca 0.09 0.33 -0.07 0.00 -1.51 0.00 0.00 54.79 53.63 1ggb n ASP 130 Cb 0.67 -0.70 0.02 0.00 2.34 0.00 0.00 41.12 43.45 1ggb n ASP 130 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ggb s THR 133 N 5.73 0.00 -0.24 5.18 2.01 -1.26 -4.83 115.64 122.23 1ggb s THR 133 Ca 0.98 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 1ggb s THR 133 Cb -1.05 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1ggb s THR 133 CO 0.44 0.00 0.22 0.41 -0.69 0.00 0.00 174.62 175.00 1ggb n THR 134 N -0.56 -3.36 -0.76 -0.82 -1.04 -1.26 -1.60 114.28 104.87 1ggb n THR 134 Ca -0.07 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1ggb n THR 134 Cb 0.60 -4.20 0.00 0.00 -1.82 0.00 0.00 70.33 64.90 1ggb n THR 134 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ggb n GLY 135 N -1.31 0.25 3.81 3.41 0.00 -1.26 -1.60 105.19 108.49 1ggb n GLY 135 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1ggb n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ggb n SER 136 N -0.23 -4.94 -4.29 1.61 7.64 -0.63 -4.90 113.62 107.89 1ggb n SER 136 Ca 0.00 -1.01 -0.31 0.00 1.01 0.00 0.00 58.87 58.56 1ggb n SER 136 Cb 0.11 -2.20 -0.16 0.00 -1.01 0.00 0.00 64.21 60.95 1ggb n SER 136 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ggb s SER 137 N -3.23 2.96 0.15 6.43 0.01 -0.62 -0.66 113.70 118.74 1ggb s SER 137 Ca 0.23 -0.46 0.09 0.00 1.31 0.00 0.00 55.95 57.12 1ggb s SER 137 Cb -0.11 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1ggb s SER 137 CO 0.90 0.29 -0.16 0.68 0.41 0.00 0.00 173.24 175.37 1ggb s VAL 138 N -0.50 2.88 -0.12 3.43 -7.23 0.14 -4.49 120.40 114.52 1ggb s VAL 138 Ca 0.07 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1ggb s VAL 138 Cb -0.11 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 1ggb s VAL 138 CO -0.00 -0.01 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.79 1ggb s THR 139 N -1.43 3.41 0.21 5.32 2.01 -1.26 -0.61 115.64 123.29 1ggb s THR 139 Ca 0.21 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.75 1ggb s THR 139 Cb -0.09 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1ggb s THR 139 CO 0.12 0.54 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.65 1ggb s LEU 140 N 0.03 2.52 0.28 4.42 1.43 0.17 -4.54 118.68 122.98 1ggb s LEU 140 Ca -0.02 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.14 1ggb s LEU 140 Cb -0.14 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1ggb s LEU 140 CO 0.04 -0.06 0.18 -0.83 0.23 0.00 0.00 176.35 175.91 1ggb s GLY 141 N -3.14 1.93 -0.06 -3.19 0.00 0.15 -1.61 107.32 101.41 1ggb s GLY 141 Ca 0.22 -1.82 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 1ggb s GLY 141 CO 0.09 -1.50 0.11 0.00 0.00 0.00 0.00 173.10 171.80 1ggb s LEU 143 N 1.61 3.07 -0.33 0.00 2.96 -0.03 -1.52 118.68 124.45 1ggb s LEU 143 Ca -0.04 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1ggb s LEU 143 Cb -0.12 -1.74 0.08 0.00 0.50 0.00 0.00 46.19 44.91 1ggb s LEU 143 CO -0.05 0.13 0.04 -0.69 -1.32 0.00 0.00 176.35 174.46 1ggb s VAL 144 N 0.58 2.68 0.06 1.68 1.01 -0.44 -0.45 120.40 125.52 1ggb s VAL 144 Ca -0.04 -1.87 0.05 0.00 0.00 0.00 0.00 61.98 60.12 1ggb s VAL 144 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1ggb s VAL 144 CO 0.03 -0.36 -0.13 -1.59 0.00 0.00 0.00 175.10 173.04 1ggb s LYS 145 N 1.09 0.81 0.00 2.72 -2.85 0.20 -0.95 119.74 120.76 1ggb s LYS 145 Ca 0.02 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 1ggb s LYS 145 Cb -0.20 -0.80 0.00 0.00 -2.06 0.00 0.00 37.83 34.77 1ggb s LYS 145 CO -0.05 0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.99 1ggb n GLY 146 N 1.45 0.82 3.44 0.59 0.00 0.74 -0.94 105.19 111.29 1ggb n GLY 146 Ca -0.21 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 1ggb n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ggb s TYR 147 N -2.95 2.04 -0.26 1.61 1.13 -0.59 -4.48 117.35 113.85 1ggb s TYR 147 Ca 0.00 -0.56 -0.23 0.00 -1.41 0.00 0.00 57.07 54.87 1ggb s TYR 147 Cb 0.00 -1.06 0.07 0.00 -1.10 0.00 0.00 41.96 39.87 1ggb s TYR 147 CO 0.00 0.44 0.70 0.12 -2.51 0.00 0.00 175.55 174.30 1ggb s PHE 148 N -2.83 -0.82 0.60 -3.49 2.19 -0.35 -1.08 117.98 112.20 1ggb s PHE 148 Ca 0.28 1.92 0.01 0.00 0.33 0.00 0.00 56.93 59.47 1ggb s PHE 148 Cb 0.01 0.33 0.12 0.00 -1.31 0.00 0.00 43.02 42.16 1ggb s PHE 148 CO 0.12 -0.40 0.83 -0.35 1.83 0.00 0.00 175.22 177.25 1ggb n PRO 149 N 3.00 0.07 -2.17 10.12 -0.04 -1.26 -1.48 135.00 143.23 1ggb n PRO 149 Ca -0.15 -2.32 -0.35 0.00 -0.04 0.00 0.00 63.50 60.64 1ggb n PRO 149 Cb 0.56 -0.52 0.01 0.00 -0.04 0.00 0.00 33.50 33.50 1ggb n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ggb s GLU 150 N -4.63 3.26 0.52 0.54 0.41 -1.26 -4.79 118.70 112.75 1ggb s GLU 150 Ca 0.55 1.56 0.05 0.00 -0.41 0.00 0.00 54.97 56.72 1ggb s GLU 150 Cb -0.03 -2.00 0.05 0.00 -1.78 0.00 0.00 34.13 30.37 1ggb s GLU 150 CO 0.37 -0.91 0.40 -0.35 -0.49 0.00 0.00 175.26 174.28 1ggb n PRO 151 N -1.51 0.71 -4.46 0.39 -0.04 -1.26 -4.99 135.00 123.85 1ggb n PRO 151 Ca 0.11 -3.26 -0.22 0.00 -0.04 0.00 0.00 63.50 60.09 1ggb n PRO 151 Cb 0.51 0.33 -0.10 0.00 -0.04 0.00 0.00 33.50 34.20 1ggb n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggb s VAL 152 N -2.59 1.63 -0.26 0.52 -7.23 -1.26 -4.36 120.40 106.84 1ggb s VAL 152 Ca 0.31 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1ggb s VAL 152 Cb -0.02 -2.57 0.07 0.00 0.56 0.00 0.00 36.38 34.41 1ggb s VAL 152 CO 0.19 -0.21 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.87 1ggb s THR 153 N -3.01 1.51 -0.23 5.32 2.01 -0.47 -4.94 115.64 115.83 1ggb s THR 153 Ca 0.31 -1.40 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 1ggb s THR 153 Cb 0.05 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 1ggb s THR 153 CO 0.13 -0.27 0.13 -0.22 -0.69 0.00 0.00 174.62 173.70 1ggb s LEU 154 N 1.37 3.96 0.30 4.42 0.20 -1.26 -2.14 118.68 125.53 1ggb s LEU 154 Ca -0.01 0.06 0.06 0.00 0.69 0.00 0.00 54.13 54.94 1ggb s LEU 154 Cb -0.19 -2.05 -0.06 0.00 -0.43 0.00 0.00 46.19 43.47 1ggb s LEU 154 CO -0.09 0.08 -0.03 0.42 -0.29 0.00 0.00 176.35 176.43 1ggb s THR 156 N 0.96 1.60 -0.06 3.68 -4.23 -1.00 -4.98 115.64 111.61 1ggb s THR 156 Ca 0.06 -2.10 0.05 0.00 -1.18 0.00 0.00 61.69 58.53 1ggb s THR 156 Cb -0.13 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 1ggb s THR 156 CO 0.03 -0.23 -0.22 0.26 -0.54 0.00 0.00 174.62 173.92 1ggb s TRP 157 N -3.04 2.51 -1.32 3.99 0.52 -1.26 -2.33 118.94 118.01 1ggb s TRP 157 Ca 0.31 -0.60 -0.12 0.00 0.02 0.00 0.00 56.10 55.71 1ggb s TRP 157 Cb 0.05 -1.62 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 1ggb s TRP 157 CO 0.13 -0.13 0.50 0.09 0.02 0.00 0.00 176.95 177.56 1ggb n ASN 162 N 2.85 -2.13 -2.44 2.95 4.13 0.79 -0.96 115.26 120.45 1ggb n ASN 162 Ca -0.17 -1.10 -0.09 0.00 1.68 0.00 0.00 54.58 54.90 1ggb n ASN 162 Cb 0.52 -2.68 -0.00 0.00 -1.54 0.00 0.00 39.78 36.08 1ggb n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ggb n SER 163 N -2.74 -3.05 0.00 6.41 7.64 -1.26 0.01 113.62 120.64 1ggb n SER 163 Ca -0.22 0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1ggb n SER 163 Cb 0.64 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.20 1ggb n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ggb n GLY 164 N -0.71 0.71 0.10 0.23 0.00 -0.13 -4.92 105.19 100.46 1ggb n GLY 164 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1ggb n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ggb h SER 165 N 0.00 0.29 -3.43 1.61 0.02 -0.34 -3.41 113.55 108.29 1ggb h SER 165 Ca 0.00 -0.39 -0.60 0.00 -0.84 0.00 0.00 61.79 59.96 1ggb h SER 165 Cb 0.00 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.35 1ggb h SER 165 CO 0.00 1.32 0.42 -0.76 -1.14 0.00 0.00 176.83 176.67 1ggb s LEU 166 N -6.86 4.08 0.00 5.07 1.43 -1.01 -4.83 118.68 116.56 1ggb s LEU 166 Ca -0.06 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1ggb s LEU 166 Cb 0.07 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1ggb s LEU 166 CO 0.85 -0.63 0.00 -0.24 0.23 0.00 0.00 176.35 176.56 1ggb n SER 167 N 6.24 2.86 -4.84 2.29 2.88 -1.26 -4.22 113.62 117.57 1ggb n SER 167 Ca 0.04 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.22 1ggb n SER 167 Cb 0.48 0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 64.13 1ggb n SER 167 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ggb s SER 168 N -2.44 6.83 0.00 -3.46 0.01 -1.26 -4.14 113.70 109.24 1ggb s SER 168 Ca 0.00 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.28 1ggb s SER 168 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1ggb s SER 168 CO 0.00 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1ggb n GLY 169 N 1.26 2.66 3.78 3.44 0.00 -1.26 -4.73 105.19 110.33 1ggb n GLY 169 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1ggb n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggb s VAL 171 N -2.58 3.94 -0.27 1.61 1.01 -1.25 -1.91 120.40 120.94 1ggb s VAL 171 Ca 0.00 1.61 -0.00 0.00 0.00 0.00 0.00 61.98 63.59 1ggb s VAL 171 Cb 0.00 -3.90 0.14 0.00 0.00 0.00 0.00 36.38 32.63 1ggb s VAL 171 CO 0.00 0.14 0.37 -1.00 0.00 0.00 0.00 175.10 174.61 1ggb s HIS 172 N -1.56 -0.82 -0.23 5.22 3.76 0.62 -4.92 115.29 117.36 1ggb s HIS 172 Ca 0.52 0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 55.71 1ggb s HIS 172 Cb -0.22 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 1ggb s HIS 172 CO 0.28 -0.87 0.17 0.99 -0.85 0.00 0.00 174.74 174.46 1ggb s THR 173 N 2.50 5.36 0.15 1.30 2.01 -1.26 -1.34 115.64 124.35 1ggb s THR 173 Ca 0.11 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 1ggb s THR 173 Cb -0.14 -3.51 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 1ggb s THR 173 CO -0.25 0.36 0.41 -0.36 -0.69 0.00 0.00 174.62 174.09 1ggb s PHE 174 N 0.89 3.48 0.42 4.92 0.40 -0.24 -5.01 117.98 122.84 1ggb s PHE 174 Ca 0.09 0.65 -0.25 0.00 -0.60 0.00 0.00 56.93 56.82 1ggb s PHE 174 Cb -0.13 -2.07 -0.10 0.00 0.51 0.00 0.00 43.02 41.23 1ggb s PHE 174 CO 0.03 0.42 1.14 -0.35 0.70 0.00 0.00 175.22 177.17 1ggb n PRO 175 N 0.20 1.63 -2.09 0.24 -0.04 -1.26 -4.35 135.00 129.32 1ggb n PRO 175 Ca -0.03 0.58 -0.39 0.00 -0.04 0.00 0.00 63.50 63.62 1ggb n PRO 175 Cb 0.52 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.75 1ggb n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ggb s ALA 176 N -1.24 3.27 0.14 0.55 0.00 -1.26 -4.85 121.76 118.38 1ggb s ALA 176 Ca 0.62 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.86 1ggb s ALA 176 Cb -0.53 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1ggb s ALA 176 CO 0.57 -0.77 -0.17 0.14 0.00 0.00 0.00 175.76 175.54 1ggb s VAL 177 N -1.26 1.62 -0.12 0.00 -7.23 -0.95 -4.95 120.40 107.52 1ggb s VAL 177 Ca 0.56 -1.82 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 1ggb s VAL 177 Cb -0.37 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1ggb s VAL 177 CO 0.48 -0.34 0.50 -0.76 -0.31 0.00 0.00 175.10 174.67 1ggb s LEU 178 N -2.55 4.27 -0.24 1.32 1.43 -1.26 -1.59 118.68 120.06 1ggb s LEU 178 Ca 0.13 0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 54.02 1ggb s LEU 178 Cb -0.06 -2.73 0.08 0.00 0.03 0.00 0.00 46.19 43.52 1ggb s LEU 178 CO 0.05 -0.03 0.10 -1.58 0.23 0.00 0.00 176.35 175.12 1ggb s GLN 179 N 0.74 0.28 -0.90 1.70 0.74 -0.52 -4.86 119.66 116.83 1ggb s GLN 179 Ca 0.27 -0.44 -0.04 0.00 0.05 0.00 0.00 55.36 55.20 1ggb s GLN 179 Cb -0.15 -1.60 -0.04 0.00 1.10 0.00 0.00 33.01 32.32 1ggb s GLN 179 CO 0.11 -0.85 0.78 0.43 -0.55 0.00 0.00 175.29 175.20 1ggb n SER 180 N 5.18 -4.74 0.00 6.67 7.64 -1.26 -2.91 113.62 124.20 1ggb n SER 180 Ca -0.06 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1ggb n SER 180 Cb 0.45 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1ggb n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ggb n ASP 183 N -2.88 -3.21 -4.17 6.43 8.00 -1.26 -4.96 116.55 114.49 1ggb n ASP 183 Ca -0.11 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.24 1ggb n ASP 183 Cb 0.61 -2.68 -0.11 0.00 -0.02 0.00 0.00 41.12 38.92 1ggb n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ggb s LEU 184 N 0.00 2.37 0.26 0.64 1.43 -1.15 -4.69 118.68 117.54 1ggb s LEU 184 Ca 0.00 -0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 1ggb s LEU 184 Cb 0.00 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 1ggb s LEU 184 CO 0.00 -0.21 0.50 -0.31 0.23 0.00 0.00 176.35 176.56 1ggb s TYR 185 N -2.12 3.48 0.02 0.29 2.02 -0.24 -1.43 117.35 119.36 1ggb s TYR 185 Ca 0.03 0.57 0.04 0.00 -0.37 0.00 0.00 57.07 57.35 1ggb s TYR 185 Cb -0.05 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1ggb s TYR 185 CO 0.01 0.24 -0.13 0.99 -1.57 0.00 0.00 175.55 175.09 1ggb s THR 186 N -1.99 1.01 0.07 -0.71 2.01 -0.62 -0.19 115.64 115.22 1ggb s THR 186 Ca 0.43 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1ggb s THR 186 Cb -0.11 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1ggb s THR 186 CO 0.29 0.08 0.08 -0.22 -0.69 0.00 0.00 174.62 174.16 1ggb s LEU 187 N -0.84 1.92 0.07 4.42 2.96 -0.13 -2.23 118.68 124.85 1ggb s LEU 187 Ca 0.02 -0.78 -0.13 0.00 -0.22 0.00 0.00 54.13 53.02 1ggb s LEU 187 Cb -0.07 0.62 0.02 0.00 0.50 0.00 0.00 46.19 47.27 1ggb s LEU 187 CO 0.01 -0.64 0.30 -0.94 -1.32 0.00 0.00 176.35 173.75 1ggb s SER 188 N -2.79 -0.09 0.03 3.68 1.04 -1.26 -1.33 113.70 112.98 1ggb s SER 188 Ca 0.04 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.19 1ggb s SER 188 Cb 0.05 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1ggb s SER 188 CO -0.10 -0.69 -0.08 -0.55 0.98 0.00 0.00 173.24 172.80 1ggb s SER 189 N -2.38 0.92 0.08 7.02 0.15 -0.57 -1.08 113.70 117.83 1ggb s SER 189 Ca -0.01 -0.38 0.08 0.00 0.70 0.00 0.00 55.95 56.34 1ggb s SER 189 Cb 0.01 -0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1ggb s SER 189 CO -0.07 -0.07 -0.22 -0.94 1.20 0.00 0.00 173.24 173.14 1ggb s SER 190 N -1.00 2.65 -0.04 5.45 1.04 -0.45 -1.19 113.70 120.15 1ggb s SER 190 Ca -0.04 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.79 1ggb s SER 190 Cb -0.07 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1ggb s SER 190 CO 0.00 0.13 -0.09 0.54 0.98 0.00 0.00 173.24 174.80 1ggb s VAL 191 N -0.99 0.84 -0.20 5.02 0.11 -0.63 -0.28 120.40 124.27 1ggb s VAL 191 Ca 0.08 -0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1ggb s VAL 191 Cb -0.10 -0.77 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 1ggb s VAL 191 CO 0.03 0.27 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.07 1ggb s THR 192 N 0.46 2.73 0.52 5.04 2.01 -0.80 -0.66 115.64 124.93 1ggb s THR 192 Ca -0.08 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1ggb s THR 192 Cb -0.12 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.18 1ggb s THR 192 CO 0.01 0.47 0.04 0.68 -0.69 0.00 0.00 174.62 175.13 1ggb s VAL 193 N 1.38 1.17 0.55 3.82 -7.23 0.22 -4.67 120.40 115.65 1ggb s VAL 193 Ca 0.05 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1ggb s VAL 193 Cb -0.14 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1ggb s VAL 193 CO -0.08 0.00 0.85 0.42 -0.31 0.00 0.00 175.10 175.98 1ggb s THR 194 N -2.88 3.80 0.56 5.32 -4.23 -1.26 0.29 115.64 117.23 1ggb s THR 194 Ca 0.07 -0.09 0.23 0.00 -1.18 0.00 0.00 61.69 60.73 1ggb s THR 194 Cb 0.01 -3.48 0.33 0.00 1.34 0.00 0.00 72.50 70.69 1ggb s THR 194 CO 0.04 -0.46 2.16 0.28 -0.54 0.00 0.00 174.62 176.10 1ggb h SER 195 N -0.03 0.00 -0.11 3.99 0.02 -1.20 0.29 113.55 116.52 1ggb h SER 195 Ca -0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 1ggb h SER 195 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1ggb h SER 195 CO 0.60 0.00 -0.02 0.28 -1.14 0.00 0.00 176.83 176.55 1ggb h SER 196 N 0.00 0.30 0.03 3.07 0.02 -1.93 -3.36 113.55 111.68 1ggb h SER 196 Ca 0.04 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ggb h SER 196 Cb 0.18 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ggb h SER 196 CO -0.00 0.38 -0.02 0.74 -1.14 0.00 0.00 176.83 176.79 1ggb h THR 198 N 0.32 0.00 -2.83 -2.27 2.02 -0.78 -3.42 112.91 105.95 1ggb h THR 198 Ca 0.07 -0.89 -0.64 0.00 0.77 0.00 0.00 66.41 65.72 1ggb h THR 198 Cb 0.26 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 1ggb h THR 198 CO 0.01 0.00 -0.50 0.86 0.37 0.00 0.00 175.52 176.26 1ggb s TRP 199 N -1.65 3.52 -1.89 3.16 -0.00 -1.22 0.66 118.94 121.52 1ggb s TRP 199 Ca -0.01 0.35 0.14 0.00 -0.00 0.00 0.00 56.10 56.58 1ggb s TRP 199 Cb 0.00 -1.82 0.42 0.00 -0.00 0.00 0.00 33.47 32.07 1ggb s TRP 199 CO 0.02 0.64 1.34 -0.35 -0.00 0.00 0.00 176.95 178.60 1ggb n PRO 200 N 1.04 2.19 -0.30 5.86 -0.04 -1.26 -4.78 135.00 137.71 1ggb n PRO 200 Ca -0.12 -1.72 -0.02 0.00 -0.04 0.00 0.00 63.50 61.61 1ggb n PRO 200 Cb 0.53 -1.41 0.11 0.00 -0.04 0.00 0.00 33.50 32.68 1ggb n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ggb h SER 202 N 2.73 0.88 -3.41 3.54 0.02 -1.72 -3.39 113.55 112.21 1ggb h SER 202 Ca 0.00 -0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 1ggb h SER 202 Cb 0.69 -0.20 -0.16 0.00 0.14 0.00 0.00 62.40 62.88 1ggb h SER 202 CO 0.02 0.60 -0.64 -1.10 -1.14 0.00 0.00 176.83 174.58 1ggb s GLN 203 N -6.10 2.92 0.31 3.45 -0.21 0.21 -5.10 119.66 115.14 1ggb s GLN 203 Ca -0.13 -0.45 -0.22 0.00 0.02 0.00 0.00 55.36 54.59 1ggb s GLN 203 Cb 0.17 -2.74 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 1ggb s GLN 203 CO 0.79 0.69 0.85 -1.54 -2.12 0.00 0.00 175.29 173.97 1ggb s SER 204 N -0.88 7.13 -0.04 5.90 1.04 -1.26 -4.33 113.70 121.25 1ggb s SER 204 Ca 0.13 1.62 0.01 0.00 0.48 0.00 0.00 55.95 58.19 1ggb s SER 204 Cb -0.11 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.53 1ggb s SER 204 CO 0.02 -0.10 -0.03 -0.63 0.98 0.00 0.00 173.24 173.49 1ggb s ILE 205 N -1.71 0.43 -0.02 -1.02 1.01 -1.26 -4.99 121.20 113.63 1ggb s ILE 205 Ca 0.50 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.12 1ggb s ILE 205 Cb -0.16 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.84 1ggb s ILE 205 CO 0.20 0.20 -0.09 -0.89 0.00 0.00 0.00 174.94 174.36 1ggb s THR 206 N 0.96 0.81 -0.12 2.92 2.01 -1.26 -1.82 115.64 119.13 1ggb s THR 206 Ca -0.11 -0.38 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 1ggb s THR 206 Cb -0.14 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1ggb s THR 206 CO -0.00 0.25 0.66 0.00 -0.69 0.00 0.00 174.62 174.83 1ggb s ASN 209 N 0.91 3.97 -0.03 0.00 -0.87 -0.98 -1.67 114.94 116.26 1ggb s ASN 209 Ca 0.33 -1.15 0.03 0.00 -1.57 0.00 0.00 52.86 50.50 1ggb s ASN 209 Cb -0.17 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.25 39.58 1ggb s ASN 209 CO 0.14 -0.15 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.73 1ggb s VAL 210 N 1.21 3.39 -0.05 1.60 1.01 -0.26 -2.38 120.40 124.91 1ggb s VAL 210 Ca -0.05 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ggb s VAL 210 Cb -0.18 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1ggb s VAL 210 CO -0.07 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 1ggb s ALA 211 N -0.84 0.89 -0.46 5.51 0.00 -0.91 -1.51 121.76 124.43 1ggb s ALA 211 Ca 0.14 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1ggb s ALA 211 Cb -0.11 -0.47 0.12 0.00 0.00 0.00 0.00 23.12 22.66 1ggb s ALA 211 CO 0.03 0.04 0.22 -1.58 0.00 0.00 0.00 175.76 174.47 1ggb s HIS 212 N 0.81 3.50 0.22 0.00 2.46 -0.41 -1.36 115.29 120.50 1ggb s HIS 212 Ca -0.13 -2.86 -0.08 0.00 0.47 0.00 0.00 55.06 52.46 1ggb s HIS 212 Cb -0.15 -3.02 0.29 0.00 -0.13 0.00 0.00 32.58 29.56 1ggb s HIS 212 CO 0.02 -0.88 1.79 -1.00 -2.47 0.00 0.00 174.74 172.20 1ggb h PRO 213 N 7.31 0.61 -0.34 2.88 0.13 -1.81 -2.54 132.00 138.24 1ggb h PRO 213 Ca -0.07 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1ggb h PRO 213 Cb 0.98 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1ggb h PRO 213 CO 0.64 0.40 0.32 0.00 -0.23 0.00 0.00 178.00 179.14 1ggb h ALA 214 N 1.39 2.07 -0.15 -0.56 0.00 -1.90 -0.13 119.26 119.98 1ggb h ALA 214 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ggb h ALA 214 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ggb h ALA 214 CO -0.23 -0.50 0.00 -1.13 0.00 0.00 0.00 179.25 177.39 1ggb n SER 215 N -3.91 2.24 -3.48 0.00 3.41 -1.14 -5.00 113.62 105.73 1ggb n SER 215 Ca 0.05 -1.76 -0.24 0.00 -0.26 0.00 0.00 58.87 56.67 1ggb n SER 215 Cb 0.49 -0.10 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1ggb n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ggb n SER 216 N 0.23 -5.96 -4.12 4.04 7.64 -0.06 -5.01 113.62 110.38 1ggb n SER 216 Ca 0.06 -0.87 -0.25 0.00 1.01 0.00 0.00 58.87 58.82 1ggb n SER 216 Cb 0.30 -4.20 -0.16 0.00 -1.01 0.00 0.00 64.21 59.14 1ggb n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ggb s THR 217 N -3.42 1.31 -0.03 0.44 2.01 -1.10 -5.02 115.64 109.83 1ggb s THR 217 Ca 0.46 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1ggb s THR 217 Cb -0.12 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.28 1ggb s THR 217 CO 0.81 0.38 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.54 1ggb s LYS 218 N -0.04 0.64 -0.02 4.92 1.02 -1.26 -1.29 119.74 123.71 1ggb s LYS 218 Ca -0.01 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 55.91 1ggb s LYS 218 Cb -0.10 -0.68 0.01 0.00 -0.52 0.00 0.00 37.83 36.54 1ggb s LYS 218 CO 0.01 -0.05 -0.06 0.08 -0.92 0.00 0.00 175.35 174.42 1ggb s VAL 219 N 0.71 0.52 -0.11 3.17 1.01 -0.57 -5.00 120.40 120.13 1ggb s VAL 219 Ca -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1ggb s VAL 219 Cb -0.12 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.80 1ggb s VAL 219 CO -0.00 0.18 -0.08 -1.81 0.00 0.00 0.00 175.10 173.39 1ggb s ASP 220 N 0.25 2.20 -0.11 3.32 1.11 -1.26 -1.11 116.67 121.08 1ggb s ASP 220 Ca -0.03 -0.31 0.01 0.00 0.18 0.00 0.00 52.55 52.40 1ggb s ASP 220 Cb -0.07 -0.85 -0.02 0.00 1.07 0.00 0.00 42.92 43.05 1ggb s ASP 220 CO -0.00 -0.12 -0.13 -0.54 1.18 0.00 0.00 175.17 175.56 1ggb s LYS 221 N 1.71 3.15 -0.13 8.23 -0.14 -0.67 -4.99 119.74 126.90 1ggb s LYS 221 Ca 0.05 -0.68 -0.17 0.00 -1.36 0.00 0.00 55.97 53.81 1ggb s LYS 221 Cb -0.13 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.41 1ggb s LYS 221 CO -0.08 0.33 0.41 0.21 -0.76 0.00 0.00 175.35 175.46 1ggb s LYS 222 N 0.05 4.30 -0.31 1.68 2.20 -1.26 -1.03 119.74 125.37 1ggb s LYS 222 Ca -0.05 0.33 -0.27 0.00 -0.36 0.00 0.00 55.97 55.62 1ggb s LYS 222 Cb -0.14 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1ggb s LYS 222 CO 0.04 0.20 0.96 0.42 -0.36 0.00 0.00 175.35 176.62 1ggb s ILE 223 N 0.51 4.62 0.00 5.43 -1.09 -0.76 -4.95 121.20 124.96 1ggb s ILE 223 Ca 0.23 1.54 0.07 0.00 -2.23 0.00 0.00 60.65 60.26 1ggb s ILE 223 Cb -0.14 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.40 1ggb s ILE 223 CO 0.08 -0.38 -0.23 -1.61 -1.23 0.00 0.00 174.94 171.57 1ggb s GLU 226 N 3.37 1.76 0.37 2.79 2.02 -1.26 -4.58 118.70 123.16 1ggb s GLU 226 Ca 0.40 -0.88 -0.28 0.00 0.02 0.00 0.00 54.97 54.24 1ggb s GLU 226 Cb -0.13 -1.77 -0.10 0.00 0.10 0.00 0.00 34.13 32.23 1ggb s GLU 226 CO 0.14 0.48 1.42 -1.25 0.02 0.00 0.00 175.26 176.06 1ggb s PRO 227 N -0.74 4.15 0.00 0.39 0.04 -1.26 -4.76 135.00 132.82 1ggb s PRO 227 Ca 0.09 2.44 0.31 0.00 0.04 0.00 0.00 61.00 63.87 1ggb s PRO 227 Cb -0.09 -2.97 1.62 0.00 0.04 0.00 0.00 34.50 33.10 1ggb s PRO 227 CO -0.00 -0.45 2.07 -2.13 0.04 0.00 0.00 177.00 176.53