#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6a s VAL 2 N 0.00 3.53 -0.05 -0.39 1.01 -1.26 -4.08 120.40 119.15 3g6a s VAL 2 Ca 0.00 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.77 3g6a s VAL 2 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3g6a s VAL 2 CO 0.00 -0.05 -0.20 -1.10 0.00 0.00 0.00 175.10 173.75 3g6a s GLN 3 N 3.60 2.12 -0.09 2.72 -1.52 0.37 -4.99 119.66 121.87 3g6a s GLN 3 Ca 0.72 -0.73 -0.00 0.00 -1.95 0.00 0.00 55.36 53.40 3g6a s GLN 3 Cb -0.34 -1.81 0.02 0.00 -0.22 0.00 0.00 33.01 30.67 3g6a s GLN 3 CO 0.29 0.29 -0.06 -0.51 -0.25 0.00 0.00 175.29 175.05 3g6a s LEU 4 N -0.01 1.11 -0.22 2.90 1.43 -1.26 -0.54 118.68 122.09 3g6a s LEU 4 Ca -0.05 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3g6a s LEU 4 Cb -0.13 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.45 3g6a s LEU 4 CO 0.03 -0.11 -0.03 -0.69 0.23 0.00 0.00 176.35 175.77 3g6a s VAL 5 N 1.56 1.30 0.22 -1.59 1.01 -0.32 -4.26 120.40 118.32 3g6a s VAL 5 Ca 0.01 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 3g6a s VAL 5 Cb -0.13 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 3g6a s VAL 5 CO -0.05 -0.11 0.55 -1.83 0.00 0.00 0.00 175.10 173.65 3g6a s GLU 6 N 1.51 3.82 0.25 2.72 1.03 -1.26 -1.37 118.70 125.40 3g6a s GLU 6 Ca -0.04 0.29 -0.07 0.00 0.03 0.00 0.00 54.97 55.18 3g6a s GLU 6 Cb -0.18 -2.67 -0.01 0.00 -0.80 0.00 0.00 34.13 30.46 3g6a s GLU 6 CO -0.07 0.33 0.38 -1.54 -1.33 0.00 0.00 175.26 173.03 3g6a s SER 7 N -2.30 0.21 0.00 0.83 1.04 0.03 -4.72 113.70 108.79 3g6a s SER 7 Ca 0.47 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3g6a s SER 7 Cb -0.11 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3g6a s SER 7 CO 0.21 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.95 3g6a n GLY 8 N -0.39 0.28 3.58 7.32 0.00 -1.26 -1.89 105.19 112.83 3g6a n GLY 8 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3g6a n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6a s GLY 9 N -1.62 1.60 0.00 -0.02 0.00 -1.26 -4.69 107.32 101.33 3g6a s GLY 9 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3g6a s GLY 9 CO 0.00 0.72 0.00 0.61 0.00 0.00 0.00 173.10 174.43 3g6a n GLY 10 N 0.36 -1.85 3.87 0.20 0.00 0.51 -4.88 105.19 103.41 3g6a n GLY 10 Ca 0.07 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3g6a n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g6a s LEU 11 N 0.00 4.37 0.15 0.99 2.96 -1.26 -1.83 118.68 124.06 3g6a s LEU 11 Ca 0.00 0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 3g6a s LEU 11 Cb 0.00 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.93 3g6a s LEU 11 CO 0.00 0.23 0.31 0.54 -1.32 0.00 0.00 176.35 176.12 3g6a s VAL 12 N -1.31 0.07 0.21 1.68 0.11 0.33 -4.96 120.40 116.54 3g6a s VAL 12 Ca 0.29 -1.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 3g6a s VAL 12 Cb -0.14 -1.68 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 3g6a s VAL 12 CO 0.16 -0.33 0.35 -1.10 -3.33 0.00 0.00 175.10 170.85 3g6a s GLN 13 N -3.93 3.45 0.22 1.54 -0.21 -1.26 -0.64 119.66 118.84 3g6a s GLN 13 Ca 0.13 -0.66 -0.32 0.00 0.02 0.00 0.00 55.36 54.54 3g6a s GLN 13 Cb 0.03 -2.90 -0.13 0.00 1.00 0.00 0.00 33.01 31.01 3g6a s GLN 13 CO -0.03 0.44 1.50 -2.30 -2.12 0.00 0.00 175.29 172.79 3g6a n PRO 14 N -1.09 2.20 -0.08 2.91 -0.02 -1.26 -0.33 135.00 137.34 3g6a n PRO 14 Ca -0.08 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3g6a n PRO 14 Cb 0.56 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3g6a n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g6a n GLY 15 N 2.63 0.94 3.86 -1.23 0.00 -0.01 -4.91 105.19 106.46 3g6a n GLY 15 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3g6a n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6a s GLY 16 N -1.85 1.72 0.11 -0.02 0.00 0.55 -4.20 107.32 103.65 3g6a s GLY 16 Ca 0.00 -1.09 0.08 0.00 0.00 0.00 0.00 44.72 43.71 3g6a s GLY 16 CO 0.00 -0.32 -0.20 -0.56 0.00 0.00 0.00 173.10 172.01 3g6a s SER 17 N -4.64 2.55 -0.06 1.64 0.01 -1.26 -1.67 113.70 110.28 3g6a s SER 17 Ca 0.72 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 57.09 3g6a s SER 17 Cb -0.06 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.07 3g6a s SER 17 CO 0.53 0.04 0.41 -0.22 0.41 0.00 0.00 173.24 174.42 3g6a s LEU 18 N -2.02 0.44 -0.17 2.44 2.96 -0.20 -5.01 118.68 117.12 3g6a s LEU 18 Ca 0.08 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3g6a s LEU 18 Cb -0.09 1.56 0.02 0.00 0.50 0.00 0.00 46.19 48.18 3g6a s LEU 18 CO 0.05 -0.40 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.91 3g6a s ARG 19 N -0.90 2.66 0.19 1.98 3.52 -1.26 -0.21 118.95 124.93 3g6a s ARG 19 Ca -0.10 -0.75 -0.04 0.00 -0.13 0.00 0.00 55.73 54.71 3g6a s ARG 19 Cb -0.04 -2.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.89 3g6a s ARG 19 CO 0.04 -0.25 0.42 -0.51 -0.81 0.00 0.00 175.30 174.20 3g6a s LEU 20 N 1.36 4.21 0.03 -0.88 1.43 0.47 -4.65 118.68 120.65 3g6a s LEU 20 Ca 0.04 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 3g6a s LEU 20 Cb -0.13 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 3g6a s LEU 20 CO -0.12 -0.03 -0.08 -0.55 0.23 0.00 0.00 176.35 175.80 3g6a s SER 21 N -2.80 0.92 -0.09 2.29 0.15 -0.79 -1.09 113.70 112.28 3g6a s SER 21 Ca 0.41 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3g6a s SER 21 Cb -0.11 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3g6a s SER 21 CO 0.27 -0.09 -0.08 0.00 1.20 0.00 0.00 173.24 174.55 3g6a s ALA 23 N 1.36 3.57 0.00 0.00 0.00 -0.47 -1.61 121.76 124.61 3g6a s ALA 23 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3g6a s ALA 23 Cb -0.14 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 3g6a s ALA 23 CO -0.04 -0.40 0.01 0.00 0.00 0.00 0.00 175.76 175.33 3g6a s ALA 24 N 1.49 3.30 0.05 0.00 0.00 -0.15 -1.17 121.76 125.28 3g6a s ALA 24 Ca 0.13 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 3g6a s ALA 24 Cb -0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 3g6a s ALA 24 CO 0.08 0.65 0.09 0.45 0.00 0.00 0.00 175.76 177.03 3g6a s SER 25 N -1.60 0.21 0.00 0.00 0.15 0.30 -4.85 113.70 107.91 3g6a s SER 25 Ca 0.20 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.24 3g6a s SER 25 Cb -0.12 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 3g6a s SER 25 CO 0.11 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.61 3g6a n GLY 26 N 0.57 0.71 3.68 9.45 0.00 -1.26 -0.48 105.19 117.85 3g6a n GLY 26 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3g6a n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g6a s PHE 27 N -2.35 0.25 -0.91 1.61 -0.71 -1.26 -4.05 117.98 110.55 3g6a s PHE 27 Ca 0.00 -0.65 -0.21 0.00 -1.04 0.00 0.00 56.93 55.03 3g6a s PHE 27 Cb 0.00 0.37 0.10 0.00 -1.21 0.00 0.00 43.02 42.28 3g6a s PHE 27 CO 0.00 -1.13 1.19 0.95 -1.34 0.00 0.00 175.22 174.89 3g6a s THR 28 N -3.75 4.44 0.26 -4.49 -4.23 -1.26 -4.83 115.64 101.79 3g6a s THR 28 Ca 0.19 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.54 3g6a s THR 28 Cb -0.03 -4.84 0.24 0.00 1.34 0.00 0.00 72.50 69.22 3g6a s THR 28 CO 0.10 -1.62 1.76 0.15 -0.54 0.00 0.00 174.62 174.47 3g6a h PHE 29 N 9.21 0.75 -1.39 3.99 3.57 -1.96 0.14 116.94 131.26 3g6a h PHE 29 Ca 0.09 0.03 0.40 0.00 3.53 0.00 0.00 57.97 62.03 3g6a h PHE 29 Cb 1.03 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 3g6a h PHE 29 CO 1.16 0.17 1.28 -0.97 -2.23 0.00 0.00 178.31 177.73 3g6a h ASN 30 N 0.61 0.00 -0.26 0.41 -0.00 -1.88 -2.78 115.58 111.68 3g6a h ASN 30 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.76 3g6a h ASN 30 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 3g6a h ASN 30 CO -0.36 0.00 0.00 -1.54 -0.00 0.00 0.00 177.43 175.53 3g6a n SER 31 N -3.53 2.82 -4.19 1.15 3.41 0.51 -4.68 113.62 109.11 3g6a n SER 31 Ca 0.31 -1.83 -0.25 0.00 -0.26 0.00 0.00 58.87 56.84 3g6a n SER 31 Cb 1.70 -0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 65.33 3g6a n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3g6a s TYR 32 N -1.16 1.66 0.25 7.33 1.51 -1.05 -3.82 117.35 122.08 3g6a s TYR 32 Ca 0.26 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 3g6a s TYR 32 Cb 0.15 -1.06 -0.10 0.00 -0.11 0.00 0.00 41.96 40.84 3g6a s TYR 32 CO 0.21 -0.02 1.43 -0.46 -1.11 0.00 0.00 175.55 175.61 3g6a s TRP 33 N -0.48 3.01 0.03 2.71 -0.11 0.11 -3.64 118.94 120.59 3g6a s TRP 33 Ca 0.07 1.05 0.06 0.00 1.22 0.00 0.00 56.10 58.50 3g6a s TRP 33 Cb -0.07 -3.82 -0.02 0.00 -1.50 0.00 0.00 33.47 28.06 3g6a s TRP 33 CO -0.00 -2.63 -0.18 0.42 -4.62 0.00 0.00 176.95 169.93 3g6a s ILE 34 N -0.08 1.47 0.15 5.86 -1.09 -0.49 0.09 121.20 127.11 3g6a s ILE 34 Ca 0.59 -1.07 0.10 0.00 -2.23 0.00 0.00 60.65 58.04 3g6a s ILE 34 Cb -0.42 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 3g6a s ILE 34 CO 0.44 0.18 -0.23 0.20 -1.23 0.00 0.00 174.94 174.30 3g6a s ASN 35 N -1.04 3.07 -0.09 3.58 0.01 0.70 -0.50 114.94 120.66 3g6a s ASN 35 Ca 0.06 -0.80 -0.03 0.00 -0.71 0.00 0.00 52.86 51.38 3g6a s ASN 35 Cb -0.08 -0.20 -0.03 0.00 0.41 0.00 0.00 41.25 41.34 3g6a s ASN 35 CO 0.01 0.09 0.03 0.26 -1.51 0.00 0.00 177.10 175.98 3g6a s TRP 36 N -1.49 3.24 -0.02 2.20 0.52 0.10 -0.07 118.94 123.43 3g6a s TRP 36 Ca 0.15 0.25 -0.02 0.00 0.02 0.00 0.00 56.10 56.50 3g6a s TRP 36 Cb -0.08 -1.82 0.00 0.00 -1.15 0.00 0.00 33.47 30.42 3g6a s TRP 36 CO 0.07 0.51 0.05 0.08 0.02 0.00 0.00 176.95 177.68 3g6a s VAL 37 N -0.88 0.01 0.22 4.03 1.01 0.21 -1.48 120.40 123.52 3g6a s VAL 37 Ca 0.13 -0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.15 3g6a s VAL 37 Cb -0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 3g6a s VAL 37 CO 0.03 -0.04 -0.21 0.00 0.00 0.00 0.00 175.10 174.87 3g6a s ARG 38 N -0.10 1.53 -0.17 2.72 1.70 0.26 0.36 118.95 125.25 3g6a s ARG 38 Ca -0.01 -1.59 -0.01 0.00 -0.47 0.00 0.00 55.73 53.64 3g6a s ARG 38 Cb -0.01 -1.71 0.05 0.00 -0.57 0.00 0.00 34.95 32.71 3g6a s ARG 38 CO 0.00 0.35 -0.02 -1.14 -1.08 0.00 0.00 175.30 173.41 3g6a s GLN 39 N -3.01 1.10 0.61 3.89 0.74 0.54 -0.40 119.66 123.12 3g6a s GLN 39 Ca 0.23 -0.44 -0.19 0.00 0.05 0.00 0.00 55.36 55.01 3g6a s GLN 39 Cb -0.06 -1.94 -0.03 0.00 1.10 0.00 0.00 33.01 32.08 3g6a s GLN 39 CO 0.11 -0.49 1.31 0.00 -0.55 0.00 0.00 175.29 175.67 3g6a s ALA 40 N 1.73 2.54 0.19 1.58 0.00 -1.26 -1.36 121.76 125.18 3g6a s ALA 40 Ca 0.00 1.25 -0.32 0.00 0.00 0.00 0.00 51.96 52.89 3g6a s ALA 40 Cb -0.16 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 3g6a s ALA 40 CO -0.07 -1.50 1.71 -2.30 0.00 0.00 0.00 175.76 173.59 3g6a n PRO 41 N -1.59 2.65 -1.37 0.00 -0.02 -1.26 -0.84 135.00 132.57 3g6a n PRO 41 Ca 0.14 0.96 -0.12 0.00 -2.02 0.00 0.00 63.50 62.45 3g6a n PRO 41 Cb 0.47 -2.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 3g6a n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g6a n GLY 42 N 3.88 1.32 3.48 -1.23 0.00 -1.26 -5.02 105.19 106.37 3g6a n GLY 42 Ca 0.16 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 3g6a n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g6a s LYS 43 N -3.08 1.93 0.67 1.61 2.20 -0.02 -5.17 119.74 117.89 3g6a s LYS 43 Ca 0.00 -2.18 -0.09 0.00 -0.36 0.00 0.00 55.97 53.35 3g6a s LYS 43 Cb 0.00 -0.42 0.15 0.00 -1.51 0.00 0.00 37.83 36.05 3g6a s LYS 43 CO 0.00 -0.54 0.92 0.41 -0.36 0.00 0.00 175.35 175.78 3g6a n GLY 44 N -0.88 -0.76 3.78 5.54 0.00 -1.26 -4.63 105.19 106.97 3g6a n GLY 44 Ca -0.04 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 3g6a n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6a s LEU 45 N 0.00 4.49 -0.04 0.99 1.43 -1.26 -4.13 118.68 120.16 3g6a s LEU 45 Ca 0.54 1.73 -0.02 0.00 -1.03 0.00 0.00 54.13 55.35 3g6a s LEU 45 Cb -0.02 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.62 3g6a s LEU 45 CO 0.37 0.09 0.05 -0.70 0.23 0.00 0.00 176.35 176.40 3g6a s GLU 46 N -1.55 -0.02 0.32 1.70 2.12 0.47 -4.99 118.70 116.75 3g6a s GLU 46 Ca 0.42 0.33 -0.28 0.00 0.36 0.00 0.00 54.97 55.81 3g6a s GLU 46 Cb -0.21 -0.52 -0.09 0.00 0.26 0.00 0.00 34.13 33.57 3g6a s GLU 46 CO 0.26 -0.31 1.08 -0.46 -0.54 0.00 0.00 175.26 175.29 3g6a s TRP 47 N 2.01 3.48 -0.04 5.30 -0.00 -1.26 -0.57 118.94 127.85 3g6a s TRP 47 Ca 0.03 1.69 -0.02 0.00 -0.00 0.00 0.00 56.10 57.80 3g6a s TRP 47 Cb -0.12 -3.23 -0.02 0.00 -0.00 0.00 0.00 33.47 30.10 3g6a s TRP 47 CO -0.03 -0.57 -0.05 0.28 -0.00 0.00 0.00 176.95 176.58 3g6a n VAL 48 N 0.78 0.24 -3.46 5.86 0.31 -0.55 -4.61 118.33 116.91 3g6a n VAL 48 Ca 0.01 -0.07 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 3g6a n VAL 48 Cb 0.46 -1.43 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 3g6a n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3g6a s SER 49 N -5.26 -0.48 0.03 4.52 0.15 -1.04 -0.88 113.70 110.74 3g6a s SER 49 Ca -0.06 0.03 -0.19 0.00 0.70 0.00 0.00 55.95 56.43 3g6a s SER 49 Cb 0.02 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3g6a s SER 49 CO 0.08 -0.79 0.42 -0.83 1.20 0.00 0.00 173.24 173.32 3g6a s GLY 50 N -2.55 -0.28 -0.01 9.45 0.00 -0.12 -0.72 107.32 113.09 3g6a s GLY 50 Ca 0.02 0.38 -0.00 0.00 0.00 0.00 0.00 44.72 45.12 3g6a s GLY 50 CO -0.10 0.12 0.02 -1.50 0.00 0.00 0.00 173.10 171.63 3g6a s ILE 51 N -2.26 -0.03 0.73 0.90 2.07 0.34 -1.13 121.20 121.82 3g6a s ILE 51 Ca -0.07 0.11 -0.13 0.00 -1.41 0.00 0.00 60.65 59.15 3g6a s ILE 51 Cb -0.01 -0.05 0.04 0.00 0.13 0.00 0.00 42.46 42.57 3g6a s ILE 51 CO -0.01 0.05 1.14 0.00 -1.91 0.00 0.00 174.94 174.20 3g6a s ALA 52 N 0.56 2.21 0.31 1.50 0.00 -0.35 -1.40 121.76 124.60 3g6a s ALA 52 Ca -0.05 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.58 3g6a s ALA 52 Cb -0.07 -3.37 0.89 0.00 0.00 0.00 0.00 23.12 20.58 3g6a s ALA 52 CO -0.02 -1.71 1.65 0.10 0.00 0.00 0.00 175.76 175.78 3g6a h TYR 53 N -0.52 0.62 -0.39 0.00 -0.00 -1.44 -0.86 116.97 114.38 3g6a h TYR 53 Ca -0.46 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.32 3g6a h TYR 53 Cb 1.26 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 37.87 3g6a h TYR 53 CO 0.53 -0.20 0.00 -0.40 -0.00 0.00 0.00 178.16 178.09 3g6a n ASP 54 N -5.15 4.54 -2.35 0.10 5.75 -1.26 -4.79 116.55 113.40 3g6a n ASP 54 Ca 0.26 -2.94 -0.10 0.00 -0.01 0.00 0.00 54.79 52.00 3g6a n ASP 54 Cb 0.83 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 40.32 3g6a n ASP 54 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3g6a n SER 55 N -0.03 -3.37 0.13 -1.12 7.64 -0.33 -4.84 113.62 111.69 3g6a n SER 55 Ca 0.24 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.36 3g6a n SER 55 Cb 0.99 -2.92 0.02 0.00 -1.01 0.00 0.00 64.21 61.29 3g6a n SER 55 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3g6a h SER 56 N 0.00 0.00 -3.67 6.43 0.87 -1.93 -3.46 113.55 111.80 3g6a h SER 56 Ca -0.24 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.08 3g6a h SER 56 Cb 1.14 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.80 3g6a h SER 56 CO 0.29 0.61 -0.68 0.21 -0.53 0.00 0.00 176.83 176.74 3g6a s ASN 57 N -6.52 -0.02 0.03 6.23 2.47 -1.26 -5.04 114.94 110.82 3g6a s ASN 57 Ca 0.03 0.09 0.04 0.00 0.42 0.00 0.00 52.86 53.44 3g6a s ASN 57 Cb 0.09 0.06 -0.02 0.00 -1.45 0.00 0.00 41.25 39.93 3g6a s ASN 57 CO 0.76 -0.05 -0.12 0.42 -3.72 0.00 0.00 177.10 174.38 3g6a s THR 58 N 0.33 0.97 0.02 -5.21 -4.23 -1.26 -1.21 115.64 105.06 3g6a s THR 58 Ca -0.03 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 3g6a s THR 58 Cb -0.04 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 72.91 3g6a s THR 58 CO -0.01 0.00 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.24 3g6a s LEU 59 N -0.99 2.14 0.01 4.79 1.43 -0.28 -4.99 118.68 120.79 3g6a s LEU 59 Ca 0.01 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 3g6a s LEU 59 Cb -0.07 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 3g6a s LEU 59 CO 0.01 -0.08 -0.14 -0.31 0.23 0.00 0.00 176.35 176.06 3g6a s TYR 60 N -0.81 1.28 0.52 0.29 1.51 -1.26 -0.95 117.35 117.93 3g6a s TYR 60 Ca -0.04 -0.28 -0.21 0.00 -1.01 0.00 0.00 57.07 55.52 3g6a s TYR 60 Cb -0.06 -0.80 -0.07 0.00 -0.11 0.00 0.00 41.96 40.92 3g6a s TYR 60 CO 0.00 0.00 1.08 0.00 -1.11 0.00 0.00 175.55 175.53 3g6a n ALA 61 N 2.40 0.58 -0.16 3.71 0.00 -0.06 -4.82 120.51 122.16 3g6a n ALA 61 Ca -0.16 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 3g6a n ALA 61 Cb 0.55 -2.17 0.03 0.00 0.00 0.00 0.00 19.45 17.86 3g6a n ALA 61 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3g6a h ASP 62 N 1.15 0.99 -0.11 0.00 3.58 -1.94 -1.44 116.42 118.64 3g6a h ASP 62 Ca -0.48 -0.35 0.03 0.00 0.42 0.00 0.00 57.03 56.66 3g6a h ASP 62 Cb 1.34 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 3g6a h ASP 62 CO 0.55 1.13 0.56 0.77 -2.88 0.00 0.00 179.24 179.36 3g6a h SER 63 N 0.86 0.00 0.00 2.28 4.64 -1.98 -2.70 113.55 116.66 3g6a h SER 63 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3g6a h SER 63 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3g6a h SER 63 CO 0.06 0.00 -0.19 0.52 -0.87 0.00 0.00 176.83 176.34 3g6a n VAL 64 N -2.93 0.00 -1.87 0.95 0.31 -0.78 -4.97 118.33 109.05 3g6a n VAL 64 Ca 0.01 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.56 3g6a n VAL 64 Cb 0.63 0.89 -0.02 0.00 -0.91 0.00 0.00 33.84 34.42 3g6a n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3g6a s LYS 65 N -1.12 4.18 0.00 5.55 2.20 -0.61 -1.54 119.74 128.40 3g6a s LYS 65 Ca 0.00 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 3g6a s LYS 65 Cb 0.00 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3g6a s LYS 65 CO 0.00 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 3g6a n GLY 66 N 2.51 2.52 0.12 5.54 0.00 -1.26 -4.76 105.19 109.85 3g6a n GLY 66 Ca 0.09 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 3g6a n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6a n ARG 67 N 0.00 0.71 -4.00 1.61 1.74 -0.92 -4.96 116.66 110.84 3g6a n ARG 67 Ca 0.00 0.25 -0.32 0.00 -0.77 0.00 0.00 57.85 57.01 3g6a n ARG 67 Cb 0.00 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 29.67 3g6a n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3g6a s PHE 68 N -2.56 3.37 -0.04 -1.55 0.40 -0.59 -0.98 117.98 116.03 3g6a s PHE 68 Ca -0.17 0.20 -0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3g6a s PHE 68 Cb 0.07 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.91 3g6a s PHE 68 CO 0.78 0.57 0.00 0.99 0.70 0.00 0.00 175.22 178.26 3g6a s THR 69 N -1.38 0.20 -0.05 0.64 2.01 0.12 -4.89 115.64 112.30 3g6a s THR 69 Ca 0.29 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.38 3g6a s THR 69 Cb -0.12 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3g6a s THR 69 CO 0.22 0.17 0.13 -0.51 -0.69 0.00 0.00 174.62 173.94 3g6a s ILE 70 N 1.29 5.16 0.23 1.82 2.07 -1.26 -0.63 121.20 129.88 3g6a s ILE 70 Ca -0.06 -0.13 -0.13 0.00 -1.41 0.00 0.00 60.65 58.92 3g6a s ILE 70 Cb -0.13 -3.33 0.00 0.00 0.13 0.00 0.00 42.46 39.13 3g6a s ILE 70 CO -0.02 0.44 0.46 -0.94 -1.91 0.00 0.00 174.94 172.97 3g6a s SER 71 N -1.52 -0.10 0.02 4.50 1.04 -0.97 -4.99 113.70 111.68 3g6a s SER 71 Ca 0.21 -0.84 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 3g6a s SER 71 Cb -0.12 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3g6a s SER 71 CO 0.12 -1.09 0.03 0.00 0.98 0.00 0.00 173.24 173.28 3g6a s ARG 72 N -3.99 0.40 -0.30 4.02 1.70 -1.26 -0.25 118.95 119.28 3g6a s ARG 72 Ca 0.19 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 54.90 3g6a s ARG 72 Cb -0.00 0.15 0.08 0.00 -0.57 0.00 0.00 34.95 34.61 3g6a s ARG 72 CO 0.06 -0.08 -0.02 0.34 -1.08 0.00 0.00 175.30 174.52 3g6a s ASP 73 N -1.55 4.54 0.15 -2.89 -1.08 0.14 -4.99 116.67 110.99 3g6a s ASP 73 Ca -0.14 -1.77 -0.10 0.00 -0.52 0.00 0.00 52.55 50.02 3g6a s ASP 73 Cb -0.08 -1.53 -0.03 0.00 -1.46 0.00 0.00 42.92 39.82 3g6a s ASP 73 CO -0.01 -0.30 1.48 0.78 0.52 0.00 0.00 175.17 177.65 3g6a h ASN 74 N 7.72 0.99 -0.98 -0.34 2.35 -1.97 0.64 115.58 123.99 3g6a h ASN 74 Ca -0.11 -0.45 0.15 0.00 -0.55 0.00 0.00 56.30 55.34 3g6a h ASN 74 Cb 1.03 -0.28 -0.09 0.00 0.05 0.00 0.00 38.32 39.03 3g6a h ASN 74 CO 0.49 1.25 0.62 0.28 -1.65 0.00 0.00 177.43 178.41 3g6a h SER 75 N 0.76 0.81 0.12 5.81 0.02 -1.96 -2.52 113.55 116.59 3g6a h SER 75 Ca 0.06 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3g6a h SER 75 Cb 0.98 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3g6a h SER 75 CO 0.09 0.38 -0.46 0.29 -1.14 0.00 0.00 176.83 176.00 3g6a n LYS 76 N -4.65 0.85 -3.57 3.45 5.02 -1.01 -4.96 118.16 113.27 3g6a n LYS 76 Ca 0.20 -0.63 -0.20 0.00 -2.02 0.00 0.00 58.31 55.66 3g6a n LYS 76 Cb 0.47 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.05 3g6a n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3g6a n ASN 77 N -0.53 -2.58 -4.03 4.39 4.13 0.10 -4.79 115.26 111.95 3g6a n ASN 77 Ca 0.09 -0.68 -0.20 0.00 1.68 0.00 0.00 54.58 55.47 3g6a n ASN 77 Cb 0.40 -4.69 -0.15 0.00 -1.54 0.00 0.00 39.78 33.80 3g6a n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3g6a s THR 78 N -3.45 0.80 0.04 3.41 2.01 -0.50 -0.98 115.64 116.98 3g6a s THR 78 Ca 0.13 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.76 3g6a s THR 78 Cb -0.06 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 3g6a s THR 78 CO 0.76 0.24 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.65 3g6a s LEU 79 N -0.09 3.19 0.17 4.42 0.20 -0.64 0.28 118.68 126.23 3g6a s LEU 79 Ca 0.01 -0.20 0.10 0.00 0.69 0.00 0.00 54.13 54.74 3g6a s LEU 79 Cb -0.06 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 3g6a s LEU 79 CO -0.00 0.24 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.78 3g6a s TYR 80 N -1.09 2.07 -0.18 5.38 2.02 0.66 -0.65 117.35 125.56 3g6a s TYR 80 Ca 0.19 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.46 3g6a s TYR 80 Cb -0.11 -1.04 0.06 0.00 -0.40 0.00 0.00 41.96 40.47 3g6a s TYR 80 CO 0.10 0.41 0.03 -1.17 -1.57 0.00 0.00 175.55 173.35 3g6a s LEU 81 N -2.59 1.18 -0.36 -1.29 2.96 -0.25 -2.28 118.68 116.04 3g6a s LEU 81 Ca 0.17 -0.77 -0.23 0.00 -0.22 0.00 0.00 54.13 53.09 3g6a s LEU 81 Cb -0.07 -0.61 0.01 0.00 0.50 0.00 0.00 46.19 46.02 3g6a s LEU 81 CO 0.08 -0.29 0.79 -1.58 -1.32 0.00 0.00 176.35 174.03 3g6a s GLN 82 N 1.85 3.76 -0.31 1.98 2.00 0.20 -0.39 119.66 128.75 3g6a s GLN 82 Ca -0.01 0.32 -0.09 0.00 -2.00 0.00 0.00 55.36 53.59 3g6a s GLN 82 Cb -0.17 -3.81 -0.00 0.00 0.80 0.00 0.00 33.01 29.84 3g6a s GLN 82 CO -0.08 -0.85 0.13 -1.64 -0.50 0.00 0.00 175.29 172.35 3g6a s MET 83 N 3.11 3.24 0.34 1.67 -1.94 0.70 -0.70 119.30 125.71 3g6a s MET 83 Ca 0.31 -0.78 0.08 0.00 -1.71 0.00 0.00 55.69 53.60 3g6a s MET 83 Cb -0.13 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.16 3g6a s MET 83 CO 0.17 -0.44 0.14 -0.80 -0.01 0.00 0.00 175.02 174.08 3g6a s ASN 84 N 1.57 4.69 -1.40 3.03 0.01 -0.15 -1.03 114.94 121.67 3g6a s ASN 84 Ca 0.04 -0.76 -0.02 0.00 -0.71 0.00 0.00 52.86 51.41 3g6a s ASN 84 Cb -0.17 -0.74 0.01 0.00 0.41 0.00 0.00 41.25 40.76 3g6a s ASN 84 CO 0.05 -0.29 0.55 -1.20 -1.51 0.00 0.00 177.10 174.70 3g6a n SER 85 N -1.14 -0.94 -4.71 -1.22 7.64 -0.99 -4.68 113.62 107.58 3g6a n SER 85 Ca -0.03 -0.94 -0.35 0.00 1.01 0.00 0.00 58.87 58.56 3g6a n SER 85 Cb 0.61 -3.38 0.11 0.00 -1.01 0.00 0.00 64.21 60.54 3g6a n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g6a s LEU 86 N -6.91 3.28 0.08 -3.43 1.43 -0.67 -4.58 118.68 107.88 3g6a s LEU 86 Ca 0.07 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.66 3g6a s LEU 86 Cb -0.04 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 3g6a s LEU 86 CO 0.86 -2.47 -0.09 -0.60 0.23 0.00 0.00 176.35 174.29 3g6a s ARG 87 N -3.89 0.76 0.31 1.70 3.52 -1.26 -0.83 118.95 119.25 3g6a s ARG 87 Ca 0.76 -1.09 0.07 0.00 -0.13 0.00 0.00 55.73 55.34 3g6a s ARG 87 Cb -0.32 -0.40 0.78 0.00 -1.56 0.00 0.00 34.95 33.45 3g6a s ARG 87 CO 0.47 0.05 1.76 0.00 -0.81 0.00 0.00 175.30 176.77 3g6a h ALA 88 N 3.68 1.70 0.00 6.12 0.00 -1.97 0.14 119.26 128.93 3g6a h ALA 88 Ca -0.37 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3g6a h ALA 88 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3g6a h ALA 88 CO 0.52 -0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.57 3g6a h GLU 89 N 0.69 0.00 -0.08 0.00 4.39 -1.94 -2.37 114.58 115.27 3g6a h GLU 89 Ca 0.60 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.30 3g6a h GLU 89 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3g6a h GLU 89 CO -0.42 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.18 3g6a n ASP 90 N -2.38 1.12 -4.72 1.42 8.00 0.50 -4.89 116.55 115.61 3g6a n ASP 90 Ca -0.00 -1.53 -0.42 0.00 0.71 0.00 0.00 54.79 53.55 3g6a n ASP 90 Cb 0.11 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 3g6a n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g6a s THR 91 N -1.90 2.44 0.00 -3.53 2.01 -0.89 -4.91 115.64 108.86 3g6a s THR 91 Ca 0.34 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.66 3g6a s THR 91 Cb 0.18 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3g6a s THR 91 CO 0.28 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.24 3g6a n ALA 92 N 3.83 0.00 -2.70 7.40 0.00 -0.45 -4.38 120.51 124.21 3g6a n ALA 92 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 3g6a n ALA 92 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 3g6a n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3g6a s VAL 93 N -2.00 4.98 -0.22 0.00 1.01 -0.46 -1.05 120.40 122.66 3g6a s VAL 93 Ca 0.00 1.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.46 3g6a s VAL 93 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3g6a s VAL 93 CO 0.00 0.17 0.10 -0.31 0.00 0.00 0.00 175.10 175.07 3g6a s TYR 94 N 1.23 3.24 -0.07 5.22 1.51 -0.54 -0.34 117.35 127.61 3g6a s TYR 94 Ca 0.39 0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.52 3g6a s TYR 94 Cb -0.18 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 3g6a s TYR 94 CO 0.18 0.02 -0.15 0.71 -1.11 0.00 0.00 175.55 175.19 3g6a s TYR 95 N 0.90 2.69 0.13 2.71 1.51 0.16 -0.91 117.35 124.54 3g6a s TYR 95 Ca 0.05 -0.30 -0.26 0.00 -1.01 0.00 0.00 57.07 55.55 3g6a s TYR 95 Cb -0.13 -1.67 -0.07 0.00 -0.11 0.00 0.00 41.96 39.98 3g6a s TYR 95 CO 0.03 0.07 0.81 0.00 -1.11 0.00 0.00 175.55 175.35 3g6a s ALA 97 N -0.66 -0.61 0.22 0.00 0.00 0.91 -1.16 121.76 120.45 3g6a s ALA 97 Ca 0.38 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 3g6a s ALA 97 Cb -0.23 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.90 3g6a s ALA 97 CO 0.26 -0.49 1.13 0.50 0.00 0.00 0.00 175.76 177.16 3g6a s ARG 98 N 2.01 4.58 0.92 0.00 3.52 -0.55 -0.22 118.95 129.21 3g6a s ARG 98 Ca -0.03 1.79 -0.12 0.00 -0.13 0.00 0.00 55.73 57.24 3g6a s ARG 98 Cb -0.11 -3.24 0.14 0.00 -1.56 0.00 0.00 34.95 30.18 3g6a s ARG 98 CO -0.09 0.08 1.14 0.20 -0.81 0.00 0.00 175.30 175.82 3g6a s GLY 99 N -0.31 1.58 0.39 8.12 0.00 0.11 -0.60 107.32 116.61 3g6a s GLY 99 Ca 0.49 -0.55 0.18 0.00 0.00 0.00 0.00 44.72 44.84 3g6a s GLY 99 CO 0.38 0.02 1.79 1.41 0.00 0.00 0.00 173.10 176.70 3g6a h LEU 100 N -1.53 0.00 0.00 0.66 3.38 0.12 -3.41 115.31 114.53 3g6a h LEU 100 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3g6a h LEU 100 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3g6a h LEU 100 CO 0.61 0.36 0.00 0.61 0.09 0.00 0.00 178.44 180.10 3g6a n GLY 101 N -0.02 4.17 0.09 0.83 0.00 -0.98 -5.03 105.19 104.24 3g6a n GLY 101 Ca -0.01 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 3g6a n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6a n ALA 102 N -3.00 1.65 -2.39 4.61 0.00 -1.25 0.08 120.51 120.21 3g6a n ALA 102 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 53.44 52.39 3g6a n ALA 102 Cb 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 3g6a n ALA 102 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3g6a s PHE 103 N -2.69 2.72 0.33 0.00 0.08 -1.26 -1.90 117.98 115.26 3g6a s PHE 103 Ca -0.05 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.61 3g6a s PHE 103 Cb 0.08 -1.93 0.74 0.00 -0.57 0.00 0.00 43.02 41.34 3g6a s PHE 103 CO 0.83 0.11 1.83 1.12 -0.10 0.00 0.00 175.22 179.01 3g6a h HIS 104 N 1.28 0.96 0.00 0.36 2.07 -1.97 0.20 115.15 118.05 3g6a h HIS 104 Ca -0.43 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 3g6a h HIS 104 Cb 1.26 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 30.94 3g6a h HIS 104 CO 0.57 0.32 0.00 0.11 -3.07 0.00 0.00 177.93 175.86 3g6a h TRP 105 N 0.78 0.00 -0.41 6.12 0.09 -1.99 -0.74 115.95 119.80 3g6a h TRP 105 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.48 3g6a h TRP 105 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.98 3g6a h TRP 105 CO -0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.28 3g6a n ASP 106 N -3.05 4.73 0.21 0.11 8.00 0.05 -4.68 116.55 121.92 3g6a n ASP 106 Ca -0.02 -2.95 0.15 0.00 0.71 0.00 0.00 54.79 52.68 3g6a n ASP 106 Cb 0.13 -0.60 0.65 0.00 -0.02 0.00 0.00 41.12 41.28 3g6a n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6a h MET 107 N 2.86 0.00 -6.72 -1.24 -0.00 -1.04 0.34 114.93 109.13 3g6a h MET 107 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 59.70 59.17 3g6a h MET 107 Cb 1.68 0.00 0.06 0.00 -0.00 0.00 0.00 31.60 33.34 3g6a h MET 107 CO 0.34 0.00 0.86 -0.65 -0.00 0.00 0.00 176.91 177.46 3g6a s GLN 108 N -3.56 4.19 0.34 -0.10 -0.21 -1.26 -4.35 119.66 114.71 3g6a s GLN 108 Ca 0.01 2.44 -0.29 0.00 0.02 0.00 0.00 55.36 57.54 3g6a s GLN 108 Cb 0.09 -3.09 -0.11 0.00 1.00 0.00 0.00 33.01 30.90 3g6a s GLN 108 CO 0.41 -0.57 1.48 -2.14 -2.12 0.00 0.00 175.29 172.34 3g6a s PRO 109 N 0.13 4.17 -0.04 2.91 0.02 -1.26 -1.20 135.00 139.73 3g6a s PRO 109 Ca 0.65 2.49 0.02 0.00 0.02 0.00 0.00 61.00 64.18 3g6a s PRO 109 Cb -0.45 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 3g6a s PRO 109 CO 0.40 -0.49 -0.01 -0.40 -0.33 0.00 0.00 177.00 176.18 3g6a n ASP 110 N 1.07 3.87 -4.13 2.53 5.75 0.23 -4.82 116.55 121.05 3g6a n ASP 110 Ca 0.03 -0.01 -0.25 0.00 -0.01 0.00 0.00 54.79 54.55 3g6a n ASP 110 Cb 0.39 0.31 -0.16 0.00 -1.03 0.00 0.00 41.12 40.64 3g6a n ASP 110 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3g6a s TYR 111 N -2.10 1.59 0.06 2.11 1.51 -1.25 -5.02 117.35 114.26 3g6a s TYR 111 Ca -0.04 -0.41 0.09 0.00 -1.01 0.00 0.00 57.07 55.70 3g6a s TYR 111 Cb 0.01 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 3g6a s TYR 111 CO 0.14 -0.12 -0.24 -1.58 -1.11 0.00 0.00 175.55 172.64 3g6a s TRP 112 N -0.08 2.13 1.00 2.71 0.52 -1.26 -1.48 118.94 122.48 3g6a s TRP 112 Ca -0.01 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 55.55 3g6a s TRP 112 Cb -0.10 -1.25 0.21 0.00 -1.15 0.00 0.00 33.47 31.18 3g6a s TRP 112 CO 0.01 0.15 1.28 0.20 0.02 0.00 0.00 176.95 178.62 3g6a s GLY 113 N -1.39 1.74 0.36 0.98 0.00 -0.31 -4.81 107.32 103.89 3g6a s GLY 113 Ca 0.10 -1.14 0.22 0.00 0.00 0.00 0.00 44.72 43.90 3g6a s GLY 113 CO 0.03 -0.36 1.44 -1.61 0.00 0.00 0.00 173.10 172.60 3g6a h GLN 114 N -1.79 0.00 0.00 2.90 4.15 -1.91 -3.45 115.11 115.01 3g6a h GLN 114 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 3g6a h GLN 114 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3g6a h GLN 114 CO 0.38 0.06 0.00 0.41 -1.93 0.00 0.00 178.83 177.75 3g6a n GLY 115 N 1.14 2.23 2.91 2.39 0.00 -1.26 -4.98 105.19 107.63 3g6a n GLY 115 Ca 0.02 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 3g6a n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g6a s THR 116 N -2.89 0.31 -0.10 2.61 -1.32 -0.08 -4.77 115.64 109.40 3g6a s THR 116 Ca 0.00 -0.12 -0.23 0.00 -1.21 0.00 0.00 61.69 60.13 3g6a s THR 116 Cb 0.00 -0.29 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 3g6a s THR 116 CO 0.00 0.11 0.69 -0.22 -2.21 0.00 0.00 174.62 172.99 3g6a s LEU 117 N 0.17 4.27 -0.21 9.08 2.96 -1.26 -1.47 118.68 132.22 3g6a s LEU 117 Ca -0.02 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3g6a s LEU 117 Cb -0.05 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.63 3g6a s LEU 117 CO -0.00 -0.16 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.04 3g6a s VAL 118 N 1.10 2.42 -0.19 1.68 1.01 -0.21 -0.36 120.40 125.85 3g6a s VAL 118 Ca 0.35 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 3g6a s VAL 118 Cb -0.17 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3g6a s VAL 118 CO 0.16 0.36 -0.04 -0.89 0.00 0.00 0.00 175.10 174.69 3g6a s THR 119 N 1.29 3.64 -0.27 3.92 2.01 -0.76 -1.34 115.64 124.13 3g6a s THR 119 Ca 0.02 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.60 3g6a s THR 119 Cb -0.15 -2.63 0.05 0.00 0.01 0.00 0.00 72.50 69.78 3g6a s THR 119 CO -0.09 0.45 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 3g6a s VAL 120 N 0.95 2.59 -0.03 3.82 1.01 -1.25 -0.51 120.40 126.98 3g6a s VAL 120 Ca 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 60.51 3g6a s VAL 120 Cb -0.15 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3g6a s VAL 120 CO 0.01 0.02 0.17 -0.55 0.00 0.00 0.00 175.10 174.74 3g6a s SER 121 N 1.21 -0.09 0.00 3.32 0.15 0.19 -4.49 113.70 113.99 3g6a s SER 121 Ca -0.05 0.09 0.25 0.00 0.70 0.00 0.00 55.95 56.93 3g6a s SER 121 Cb -0.19 0.29 1.16 0.00 -1.71 0.00 0.00 66.02 65.57 3g6a s SER 121 CO -0.04 -0.22 1.78 -1.54 1.20 0.00 0.00 173.24 174.42 3g6a n SER 122 N 2.20 0.91 -4.75 5.45 3.41 -1.26 -4.00 113.62 115.57 3g6a n SER 122 Ca -0.18 -1.44 -0.41 0.00 -0.26 0.00 0.00 58.87 56.59 3g6a n SER 122 Cb 0.57 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 3g6a n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g6a s ALA 123 N -1.94 3.41 0.41 7.33 0.00 -1.26 -5.04 121.76 124.66 3g6a s ALA 123 Ca 0.36 0.91 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 3g6a s ALA 123 Cb 0.18 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 3g6a s ALA 123 CO 0.29 -0.25 0.74 0.45 0.00 0.00 0.00 175.76 176.99 3g6a s SER 124 N -0.41 6.43 0.30 0.00 0.15 -1.26 -5.02 113.70 113.88 3g6a s SER 124 Ca 0.48 1.00 -0.30 0.00 0.70 0.00 0.00 55.95 57.83 3g6a s SER 124 Cb -0.32 -2.27 -0.11 0.00 -1.71 0.00 0.00 66.02 61.61 3g6a s SER 124 CO 0.39 -0.41 1.53 -0.89 1.20 0.00 0.00 173.24 175.06 3g6a s THR 125 N -2.43 2.23 -0.24 6.45 2.01 -1.26 -4.63 115.64 117.77 3g6a s THR 125 Ca 0.49 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.56 3g6a s THR 125 Cb -0.10 -3.13 0.08 0.00 0.01 0.00 0.00 72.50 69.36 3g6a s THR 125 CO 0.35 0.03 0.57 -0.75 -0.69 0.00 0.00 174.62 174.14 3g6a s LYS 126 N -0.78 0.56 0.46 4.92 2.20 -0.06 -4.94 119.74 122.10 3g6a s LYS 126 Ca 0.60 1.11 -0.21 0.00 -0.36 0.00 0.00 55.97 57.10 3g6a s LYS 126 Cb -0.46 0.20 -0.09 0.00 -1.51 0.00 0.00 37.83 35.97 3g6a s LYS 126 CO 0.49 -0.17 1.04 0.20 -0.36 0.00 0.00 175.35 176.56 3g6a s GLY 127 N 1.81 2.57 0.71 5.54 0.00 -1.26 -1.61 107.32 115.09 3g6a s GLY 127 Ca -0.09 0.64 -0.14 0.00 0.00 0.00 0.00 44.72 45.14 3g6a s GLY 127 CO -0.17 0.99 1.12 2.56 0.00 0.00 0.00 173.10 177.60 3g6a s PRO 128 N -3.04 2.51 -0.07 2.90 0.04 -1.26 -4.69 135.00 131.40 3g6a s PRO 128 Ca 0.65 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 3g6a s PRO 128 Cb -0.18 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3g6a s PRO 128 CO 0.22 -1.47 0.27 0.45 0.04 0.00 0.00 177.00 176.51 3g6a s SER 129 N -2.74 6.58 -0.13 6.66 0.15 -0.49 -4.90 113.70 118.83 3g6a s SER 129 Ca 0.66 0.69 0.03 0.00 0.70 0.00 0.00 55.95 58.03 3g6a s SER 129 Cb -0.21 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 3g6a s SER 129 CO 0.46 0.34 -0.22 -0.69 1.20 0.00 0.00 173.24 174.33 3g6a s VAL 130 N -0.92 2.05 0.04 4.45 1.01 -1.26 -1.01 120.40 124.76 3g6a s VAL 130 Ca 0.19 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.27 3g6a s VAL 130 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3g6a s VAL 130 CO 0.08 0.55 -0.24 -0.36 0.00 0.00 0.00 175.10 175.13 3g6a s PHE 131 N 0.70 2.09 0.39 5.22 2.99 -0.73 -4.98 117.98 123.66 3g6a s PHE 131 Ca -0.10 -0.39 -0.27 0.00 0.00 0.00 0.00 56.93 56.16 3g6a s PHE 131 Cb -0.16 -1.26 -0.10 0.00 0.00 0.00 0.00 43.02 41.50 3g6a s PHE 131 CO 0.01 0.09 1.42 -1.25 -0.00 0.00 0.00 175.22 175.49 3g6a s PRO 132 N -1.12 4.04 -0.83 0.24 0.04 -1.26 -1.41 135.00 134.70 3g6a s PRO 132 Ca 0.10 2.43 -0.02 0.00 0.04 0.00 0.00 61.00 63.54 3g6a s PRO 132 Cb -0.09 -2.89 0.21 0.00 0.04 0.00 0.00 34.50 31.76 3g6a s PRO 132 CO 0.02 -0.53 0.70 -0.51 0.04 0.00 0.00 177.00 176.71 3g6a s LEU 133 N -2.22 5.49 0.18 -3.56 1.43 0.08 -4.74 118.68 115.34 3g6a s LEU 133 Ca 0.54 -3.51 -0.24 0.00 -1.03 0.00 0.00 54.13 49.90 3g6a s LEU 133 Cb -0.44 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 3g6a s LEU 133 CO 0.58 -0.23 0.76 0.00 0.23 0.00 0.00 176.35 177.69 3g6a s ALA 134 N -1.03 3.44 0.41 4.21 0.00 -1.26 -1.17 121.76 126.36 3g6a s ALA 134 Ca 0.25 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 3g6a s ALA 134 Cb -0.10 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3g6a s ALA 134 CO -0.10 0.30 0.67 -1.25 0.00 0.00 0.00 175.76 175.38 3g6a s PRO 135 N -1.36 3.53 0.00 0.00 0.04 -1.26 -4.99 135.00 130.95 3g6a s PRO 135 Ca 0.38 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.39 3g6a s PRO 135 Cb -0.21 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3g6a s PRO 135 CO 0.25 -0.03 0.00 -1.13 0.04 0.00 0.00 177.00 176.13 3g6a n SER 136 N -1.96 0.00 0.00 6.66 3.41 -1.26 -4.46 113.62 116.00 3g6a n SER 136 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3g6a n SER 136 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3g6a n SER 136 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3g6a n SER 137 N 0.00 0.04 0.30 4.04 3.41 -1.26 -4.61 113.62 115.53 3g6a n SER 137 Ca 0.00 -0.44 0.17 0.00 -0.26 0.00 0.00 58.87 58.34 3g6a n SER 137 Cb 0.00 0.78 0.91 0.00 -0.26 0.00 0.00 64.21 65.64 3g6a n SER 137 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3g6a h LYS 138 N 0.00 0.00 -0.57 4.33 1.79 -2.01 -3.18 116.57 116.92 3g6a h LYS 138 Ca 0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 3g6a h LYS 138 Cb 0.00 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.52 3g6a h LYS 138 CO 0.00 0.04 0.18 -1.13 -1.08 0.00 0.00 179.45 177.46 3g6a n SER 139 N -3.42 3.72 -4.26 0.86 3.41 -1.26 -4.98 113.62 107.69 3g6a n SER 139 Ca -0.02 -3.43 -0.32 0.00 -0.26 0.00 0.00 58.87 54.85 3g6a n SER 139 Cb 0.17 -0.69 -0.17 0.00 -0.26 0.00 0.00 64.21 63.26 3g6a n SER 139 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3g6a s THR 140 N -3.10 2.07 -0.43 6.66 2.01 -1.20 -2.79 115.64 118.86 3g6a s THR 140 Ca 0.50 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 61.49 3g6a s THR 140 Cb 0.42 -1.75 0.49 0.00 0.01 0.00 0.00 72.50 71.66 3g6a s THR 140 CO 0.08 0.57 1.60 -0.24 -0.69 0.00 0.00 174.62 175.93 3g6a n SER 141 N 3.05 5.09 0.00 3.53 2.88 0.41 -4.89 113.62 123.68 3g6a n SER 141 Ca -0.18 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.60 3g6a n SER 141 Cb 0.52 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 3g6a n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g6a n GLY 142 N -0.92 0.27 0.00 0.46 0.00 -1.26 -4.28 105.19 99.46 3g6a n GLY 142 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3g6a n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6a n GLY 143 N -1.74 0.78 3.68 -0.02 0.00 -1.26 -4.96 105.19 101.67 3g6a n GLY 143 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3g6a n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g6a s THR 144 N 0.00 4.10 -0.12 2.61 -4.23 -1.24 0.64 115.64 117.40 3g6a s THR 144 Ca 0.00 1.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.93 3g6a s THR 144 Cb 0.00 -3.91 0.02 0.00 1.34 0.00 0.00 72.50 69.95 3g6a s THR 144 CO 0.00 -0.04 -0.15 0.00 -0.54 0.00 0.00 174.62 173.89 3g6a s ALA 145 N 2.69 1.73 -0.40 3.99 0.00 -0.12 0.15 121.76 129.82 3g6a s ALA 145 Ca 0.58 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 51.51 3g6a s ALA 145 Cb -0.26 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 21.98 3g6a s ALA 145 CO 0.21 -0.17 0.92 0.00 0.00 0.00 0.00 175.76 176.72 3g6a s ALA 146 N 1.15 3.35 0.32 0.00 0.00 -1.12 -2.34 121.76 123.12 3g6a s ALA 146 Ca -0.03 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.45 3g6a s ALA 146 Cb -0.14 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3g6a s ALA 146 CO -0.04 -1.74 0.06 -0.48 0.00 0.00 0.00 175.76 173.56 3g6a s LEU 147 N 3.55 3.16 0.36 0.00 0.05 -0.81 -4.44 118.68 120.54 3g6a s LEU 147 Ca 0.37 -0.81 -0.17 0.00 0.05 0.00 0.00 54.13 53.58 3g6a s LEU 147 Cb -0.11 -1.61 0.05 0.00 -2.05 0.00 0.00 46.19 42.46 3g6a s LEU 147 CO 0.21 -0.20 0.79 -0.83 -0.55 0.00 0.00 176.35 175.77 3g6a s GLY 148 N -3.76 0.28 -0.01 -3.48 0.00 -0.31 0.44 107.32 100.47 3g6a s GLY 148 Ca 0.35 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.41 3g6a s GLY 148 CO 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 173.10 173.12 3g6a s LEU 150 N 0.57 4.17 -0.43 0.00 2.96 -0.50 -1.54 118.68 123.91 3g6a s LEU 150 Ca -0.05 0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 54.38 3g6a s LEU 150 Cb -0.07 -2.60 0.09 0.00 0.50 0.00 0.00 46.19 44.10 3g6a s LEU 150 CO -0.01 -0.10 0.27 -0.69 -1.32 0.00 0.00 176.35 174.50 3g6a s VAL 151 N 1.34 4.22 -0.19 1.68 1.01 0.42 -1.77 120.40 127.11 3g6a s VAL 151 Ca 0.22 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 3g6a s VAL 151 Cb -0.15 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3g6a s VAL 151 CO 0.09 -0.55 0.00 -0.75 0.00 0.00 0.00 175.10 173.88 3g6a s LYS 152 N 1.41 3.67 -0.31 2.72 2.20 -0.18 -0.12 119.74 129.13 3g6a s LYS 152 Ca 0.04 -0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 3g6a s LYS 152 Cb -0.24 -3.07 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3g6a s LYS 152 CO 0.02 0.08 0.28 -0.25 -0.36 0.00 0.00 175.35 175.11 3g6a n ASP 153 N 4.06 -3.81 -4.42 1.43 8.00 0.15 -1.40 116.55 120.56 3g6a n ASP 153 Ca -0.17 -0.13 -0.21 0.00 0.71 0.00 0.00 54.79 54.99 3g6a n ASP 153 Cb 0.52 -2.32 -0.10 0.00 -0.02 0.00 0.00 41.12 39.20 3g6a n ASP 153 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3g6a s TYR 154 N -3.07 1.94 -0.23 1.24 1.13 -0.60 -4.31 117.35 113.45 3g6a s TYR 154 Ca 0.08 -0.64 -0.26 0.00 -1.41 0.00 0.00 57.07 54.84 3g6a s TYR 154 Cb -0.01 -1.05 0.07 0.00 -1.10 0.00 0.00 41.96 39.88 3g6a s TYR 154 CO 0.26 0.33 0.73 0.12 -2.51 0.00 0.00 175.55 174.48 3g6a s PHE 155 N -2.96 -0.75 0.08 -3.49 5.36 -0.63 0.38 117.98 115.97 3g6a s PHE 155 Ca 0.28 1.74 -0.01 0.00 -0.96 0.00 0.00 56.93 57.99 3g6a s PHE 155 Cb 0.02 0.30 0.02 0.00 -0.34 0.00 0.00 43.02 43.02 3g6a s PHE 155 CO 0.11 -0.41 0.11 -0.35 -1.46 0.00 0.00 175.22 173.21 3g6a n PRO 156 N 2.33 0.31 -1.57 10.12 -0.04 -1.26 -0.89 135.00 144.02 3g6a n PRO 156 Ca -0.15 -0.23 -0.32 0.00 -0.04 0.00 0.00 63.50 62.76 3g6a n PRO 156 Cb 0.55 -0.09 0.06 0.00 -0.04 0.00 0.00 33.50 33.99 3g6a n PRO 156 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3g6a s GLU 157 N -2.86 2.74 0.47 0.54 0.41 -1.26 -4.74 118.70 114.01 3g6a s GLU 157 Ca 0.07 1.13 0.09 0.00 -0.41 0.00 0.00 54.97 55.84 3g6a s GLU 157 Cb -0.00 -1.96 0.03 0.00 -1.78 0.00 0.00 34.13 30.42 3g6a s GLU 157 CO 0.04 -1.26 0.63 -1.25 -0.49 0.00 0.00 175.26 172.94 3g6a s PRO 158 N -4.71 2.65 0.14 0.39 0.04 -1.26 -4.96 135.00 127.29 3g6a s PRO 158 Ca 0.61 -1.39 0.04 0.00 0.04 0.00 0.00 61.00 60.31 3g6a s PRO 158 Cb -0.16 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 3g6a s PRO 158 CO 0.51 -0.46 0.13 0.08 0.04 0.00 0.00 177.00 177.30 3g6a s VAL 159 N -2.46 4.59 -0.05 -0.36 1.01 -1.26 -4.48 120.40 117.39 3g6a s VAL 159 Ca 0.57 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3g6a s VAL 159 Cb -0.08 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3g6a s VAL 159 CO 0.35 -0.04 -0.18 0.42 0.00 0.00 0.00 175.10 175.65 3g6a s THR 160 N -1.64 2.73 -0.10 3.92 -4.23 -0.55 -4.98 115.64 110.79 3g6a s THR 160 Ca 0.31 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 3g6a s THR 160 Cb -0.11 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.69 3g6a s THR 160 CO 0.24 0.58 -0.19 -0.69 -0.54 0.00 0.00 174.62 174.01 3g6a s VAL 161 N -0.52 1.73 0.18 2.29 1.01 -1.26 -1.38 120.40 122.45 3g6a s VAL 161 Ca 0.07 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.35 3g6a s VAL 161 Cb -0.11 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3g6a s VAL 161 CO 0.01 0.49 -0.23 -0.55 0.00 0.00 0.00 175.10 174.82 3g6a s SER 162 N 0.65 3.19 -0.12 3.32 0.15 -0.19 -4.96 113.70 115.74 3g6a s SER 162 Ca -0.13 -0.85 0.02 0.00 0.70 0.00 0.00 55.95 55.69 3g6a s SER 162 Cb -0.16 -0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 63.92 3g6a s SER 162 CO 0.03 0.08 -0.19 0.26 1.20 0.00 0.00 173.24 174.62 3g6a s TRP 163 N -1.70 2.68 -1.33 3.44 0.52 -1.26 0.06 118.94 121.35 3g6a s TRP 163 Ca 0.18 -0.97 -0.08 0.00 0.02 0.00 0.00 56.10 55.24 3g6a s TRP 163 Cb -0.08 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.46 3g6a s TRP 163 CO 0.08 -0.40 0.51 0.09 0.02 0.00 0.00 176.95 177.26 3g6a n ASN 164 N 3.68 -1.85 -1.97 2.95 3.02 0.52 -1.85 115.26 119.76 3g6a n ASN 164 Ca -0.19 -1.05 -0.17 0.00 -0.03 0.00 0.00 54.58 53.14 3g6a n ASN 164 Cb 0.53 -2.95 -0.04 0.00 -0.61 0.00 0.00 39.78 36.71 3g6a n ASN 164 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3g6a n SER 165 N -2.83 -4.76 0.00 6.41 7.64 -1.26 -1.82 113.62 116.99 3g6a n SER 165 Ca -0.24 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3g6a n SER 165 Cb 0.65 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 3g6a n SER 165 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g6a n GLY 166 N -0.63 0.42 0.07 0.23 0.00 -0.77 -4.95 105.19 99.55 3g6a n GLY 166 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 3g6a n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6a h ALA 167 N 0.00 0.37 -2.52 4.61 0.00 -1.20 -3.42 119.26 117.10 3g6a h ALA 167 Ca 0.00 -0.89 -0.64 0.00 0.00 0.00 0.00 54.91 53.38 3g6a h ALA 167 Cb 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 17.50 3g6a h ALA 167 CO 0.00 1.20 -0.09 -1.17 0.00 0.00 0.00 179.25 179.19 3g6a s LEU 168 N -6.80 4.27 0.00 0.00 2.96 -0.88 -4.86 118.68 113.37 3g6a s LEU 168 Ca 0.01 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3g6a s LEU 168 Cb 0.10 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.24 3g6a s LEU 168 CO 0.82 -0.40 0.00 0.35 -1.32 0.00 0.00 176.35 175.80 3g6a n THR 169 N 5.33 0.00 -3.02 3.68 -2.24 -1.26 -4.20 114.28 112.56 3g6a n THR 169 Ca -0.05 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3g6a n THR 169 Cb 0.49 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 3g6a n THR 169 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g6a s SER 170 N -0.34 7.28 -0.09 3.42 0.15 -1.26 -3.31 113.70 119.54 3g6a s SER 170 Ca 0.00 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.22 3g6a s SER 170 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3g6a s SER 170 CO 0.00 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.20 3g6a n GLY 171 N 1.31 0.41 3.68 9.45 0.00 -1.26 -4.81 105.19 113.97 3g6a n GLY 171 Ca -0.05 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3g6a n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6a s VAL 172 N -1.74 5.13 -0.15 1.61 1.01 -1.21 -0.91 120.40 124.14 3g6a s VAL 172 Ca 0.00 0.98 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 3g6a s VAL 172 Cb 0.00 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.57 3g6a s VAL 172 CO 0.00 0.23 -0.04 -2.28 0.00 0.00 0.00 175.10 173.01 3g6a s HIS 173 N 1.28 1.41 -0.29 5.22 2.46 0.29 -4.99 115.29 120.66 3g6a s HIS 173 Ca 0.25 -0.85 -0.03 0.00 0.47 0.00 0.00 55.06 54.91 3g6a s HIS 173 Cb -0.15 -1.18 0.04 0.00 -0.13 0.00 0.00 32.58 31.16 3g6a s HIS 173 CO 0.10 -0.55 0.01 0.99 -2.47 0.00 0.00 174.74 172.81 3g6a s THR 174 N 1.73 3.15 0.32 0.89 2.01 -1.26 0.14 115.64 122.62 3g6a s THR 174 Ca 0.02 -1.21 -0.23 0.00 0.31 0.00 0.00 61.69 60.59 3g6a s THR 174 Cb -0.15 -2.74 -0.10 0.00 0.01 0.00 0.00 72.50 69.53 3g6a s THR 174 CO -0.07 -0.03 0.87 -0.36 -0.69 0.00 0.00 174.62 174.34 3g6a s PHE 175 N 1.31 3.58 1.02 4.92 0.08 -0.18 -4.98 117.98 123.73 3g6a s PHE 175 Ca -0.03 1.60 -0.12 0.00 0.12 0.00 0.00 56.93 58.50 3g6a s PHE 175 Cb -0.19 -2.80 0.17 0.00 -0.57 0.00 0.00 43.02 39.63 3g6a s PHE 175 CO -0.01 0.17 0.87 -2.30 -0.10 0.00 0.00 175.22 173.85 3g6a n PRO 176 N 0.29 -1.16 -3.19 0.24 -0.02 -1.26 -4.21 135.00 125.69 3g6a n PRO 176 Ca 0.02 -0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 60.79 3g6a n PRO 176 Cb 0.51 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 3g6a n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g6a s ALA 177 N -2.49 3.44 0.19 3.55 0.00 -1.26 -4.70 121.76 120.49 3g6a s ALA 177 Ca 0.65 -1.07 -0.33 0.00 0.00 0.00 0.00 51.96 51.21 3g6a s ALA 177 Cb -0.22 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 3g6a s ALA 177 CO 0.63 -1.40 1.55 1.33 0.00 0.00 0.00 175.76 177.87 3g6a n VAL 178 N 5.55 0.27 -3.50 0.00 0.24 -0.97 -4.85 118.33 115.08 3g6a n VAL 178 Ca -0.04 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 3g6a n VAL 178 Cb 0.48 -1.59 -0.06 0.00 -1.47 0.00 0.00 33.84 31.21 3g6a n VAL 178 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3g6a s LEU 179 N 0.66 6.06 0.00 1.34 2.96 -1.26 -1.70 118.68 126.74 3g6a s LEU 179 Ca 0.75 -2.64 -0.12 0.00 -0.22 0.00 0.00 54.13 51.90 3g6a s LEU 179 Cb -0.65 -2.06 0.17 0.00 0.50 0.00 0.00 46.19 44.16 3g6a s LEU 179 CO 0.41 -0.52 0.57 0.00 -1.32 0.00 0.00 176.35 175.48 3g6a n GLN 180 N 3.93 -2.44 -0.24 1.98 6.02 -0.39 -4.83 117.38 121.41 3g6a n GLN 180 Ca 0.08 -0.91 -0.06 0.00 -0.01 0.00 0.00 57.00 56.10 3g6a n GLN 180 Cb 0.43 -0.91 0.04 0.00 1.02 0.00 0.00 30.24 30.82 3g6a n GLN 180 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3g6a h SER 181 N -2.12 0.83 0.27 1.08 0.02 -1.98 -2.17 113.55 109.47 3g6a h SER 181 Ca -0.22 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3g6a h SER 181 Cb 0.69 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3g6a h SER 181 CO 0.14 0.69 0.00 -1.54 -1.14 0.00 0.00 176.83 174.98 3g6a n SER 182 N -4.52 0.00 -0.01 3.07 3.41 -1.26 -4.84 113.62 109.48 3g6a n SER 182 Ca 0.05 0.23 -0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3g6a n SER 182 Cb 0.09 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3g6a n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g6a n GLY 183 N -0.31 0.47 3.93 5.00 0.00 -0.82 -4.65 105.19 108.82 3g6a n GLY 183 Ca 0.05 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3g6a n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6a s LEU 184 N -0.02 4.33 0.38 0.99 1.43 -1.26 -4.68 118.68 119.85 3g6a s LEU 184 Ca 0.00 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 3g6a s LEU 184 Cb 0.00 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 3g6a s LEU 184 CO 0.00 0.07 0.54 -0.31 0.23 0.00 0.00 176.35 176.88 3g6a s TYR 185 N -1.69 3.14 0.02 0.29 1.51 0.16 -1.26 117.35 119.52 3g6a s TYR 185 Ca 0.35 -0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 56.17 3g6a s TYR 185 Cb -0.12 -2.11 0.03 0.00 -0.11 0.00 0.00 41.96 39.65 3g6a s TYR 185 CO 0.28 -0.14 0.37 -1.12 -1.11 0.00 0.00 175.55 173.83 3g6a s SER 186 N -4.19 -0.23 0.22 2.29 0.01 -0.69 0.33 113.70 111.43 3g6a s SER 186 Ca 0.46 0.02 -0.19 0.00 1.31 0.00 0.00 55.95 57.56 3g6a s SER 186 Cb -0.10 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.54 3g6a s SER 186 CO 0.33 -0.57 0.59 -1.48 0.41 0.00 0.00 173.24 172.52 3g6a s LEU 187 N -1.74 -0.10 0.11 2.44 0.05 0.83 -2.30 118.68 117.98 3g6a s LEU 187 Ca -0.08 -0.49 0.02 0.00 0.05 0.00 0.00 54.13 53.62 3g6a s LEU 187 Cb -0.02 2.35 -0.04 0.00 -2.05 0.00 0.00 46.19 46.42 3g6a s LEU 187 CO 0.00 -1.14 -0.05 -0.94 -0.55 0.00 0.00 176.35 173.67 3g6a s SER 188 N -2.88 1.14 -0.02 1.48 1.04 -1.26 0.16 113.70 113.36 3g6a s SER 188 Ca 0.10 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.50 3g6a s SER 188 Cb -0.02 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.21 3g6a s SER 188 CO -0.00 -0.48 -0.02 -0.55 0.98 0.00 0.00 173.24 173.16 3g6a s SER 189 N -3.06 0.52 0.04 7.02 0.15 -0.59 -1.01 113.70 116.76 3g6a s SER 189 Ca 0.14 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.80 3g6a s SER 189 Cb 0.05 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 3g6a s SER 189 CO -0.03 -0.05 -0.19 0.68 1.20 0.00 0.00 173.24 174.85 3g6a s VAL 190 N 0.66 1.51 -0.21 4.45 -7.23 0.38 -1.40 120.40 118.56 3g6a s VAL 190 Ca -0.07 -1.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 3g6a s VAL 190 Cb -0.10 -1.31 -0.00 0.00 0.56 0.00 0.00 36.38 35.52 3g6a s VAL 190 CO -0.01 0.18 -0.07 0.54 -0.31 0.00 0.00 175.10 175.43 3g6a s VAL 191 N -0.77 3.15 -0.16 1.32 0.11 0.17 0.10 120.40 124.32 3g6a s VAL 191 Ca 0.06 -0.57 -0.22 0.00 -2.93 0.00 0.00 61.98 58.32 3g6a s VAL 191 Cb -0.08 -2.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 3g6a s VAL 191 CO 0.01 0.44 0.66 0.42 -3.33 0.00 0.00 175.10 173.31 3g6a s THR 192 N 1.45 5.02 0.21 5.04 -4.23 -0.09 -1.92 115.64 121.11 3g6a s THR 192 Ca 0.06 1.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.86 3g6a s THR 192 Cb -0.14 -3.98 -0.05 0.00 1.34 0.00 0.00 72.50 69.67 3g6a s THR 192 CO -0.05 0.14 0.07 0.68 -0.54 0.00 0.00 174.62 174.93 3g6a s VAL 193 N 1.62 0.45 -0.32 2.29 -7.23 -0.99 -4.64 120.40 111.57 3g6a s VAL 193 Ca 0.32 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.24 3g6a s VAL 193 Cb -0.16 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.37 3g6a s VAL 193 CO 0.12 -0.17 0.95 -2.16 -0.31 0.00 0.00 175.10 173.53 3g6a s PRO 194 N -4.03 3.99 0.32 4.82 0.05 -1.24 -0.94 135.00 137.96 3g6a s PRO 194 Ca 0.33 0.82 0.16 0.00 0.05 0.00 0.00 61.00 62.36 3g6a s PRO 194 Cb 0.07 -3.75 1.11 0.00 0.05 0.00 0.00 34.50 31.99 3g6a s PRO 194 CO 0.10 -0.84 1.37 0.43 0.05 0.00 0.00 177.00 178.11 3g6a n SER 195 N 6.63 0.26 0.28 6.66 7.64 2.81 0.14 113.62 138.03 3g6a n SER 195 Ca 0.08 1.44 0.06 0.00 1.01 0.00 0.00 58.87 61.47 3g6a n SER 195 Cb 0.48 -0.68 0.33 0.00 -1.01 0.00 0.00 64.21 63.32 3g6a n SER 195 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3g6a h SER 196 N 0.00 0.00 0.19 6.43 0.87 -1.93 -1.72 113.55 117.40 3g6a h SER 196 Ca 0.71 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.92 3g6a h SER 196 Cb 1.85 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.78 3g6a h SER 196 CO -0.68 0.00 -2.01 -1.20 -0.53 0.00 0.00 176.83 172.40 3g6a n SER 197 N -2.43 1.68 -4.66 6.23 7.64 0.37 -4.81 113.62 117.64 3g6a n SER 197 Ca -0.01 0.20 -0.53 0.00 1.01 0.00 0.00 58.87 59.54 3g6a n SER 197 Cb 0.64 -0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 3g6a n SER 197 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3g6a n LEU 198 N -3.31 2.28 0.00 -3.43 4.77 -0.65 -1.17 117.00 115.50 3g6a n LEU 198 Ca -0.30 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 3g6a n LEU 198 Cb 1.05 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3g6a n LEU 198 CO 0.41 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 3g6a n GLY 199 N 3.47 0.80 0.20 -0.72 0.00 -1.26 -4.75 105.19 102.93 3g6a n GLY 199 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 3g6a n GLY 199 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g6a n THR 200 N -2.25 0.54 -4.01 2.61 -1.04 -0.45 -5.05 114.28 104.62 3g6a n THR 200 Ca 0.00 -0.19 -0.36 0.00 -2.04 0.00 0.00 64.05 61.46 3g6a n THR 200 Cb 0.00 -1.02 -0.08 0.00 -1.82 0.00 0.00 70.33 67.41 3g6a n THR 200 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3g6a s GLN 201 N -2.19 3.50 0.04 -2.82 2.00 -0.31 -5.10 119.66 114.79 3g6a s GLN 201 Ca -0.13 -0.25 -0.20 0.00 -2.00 0.00 0.00 55.36 52.78 3g6a s GLN 201 Cb 0.04 -3.12 -0.06 0.00 0.80 0.00 0.00 33.01 30.67 3g6a s GLN 201 CO 0.21 0.62 0.60 0.95 -0.50 0.00 0.00 175.29 177.16 3g6a s THR 202 N -0.59 4.79 -0.29 -0.34 -4.23 -1.26 -4.63 115.64 109.08 3g6a s THR 202 Ca 0.12 1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.88 3g6a s THR 202 Cb -0.12 -3.94 0.05 0.00 1.34 0.00 0.00 72.50 69.83 3g6a s THR 202 CO 0.02 0.49 -0.01 -0.31 -0.54 0.00 0.00 174.62 174.27 3g6a s TYR 203 N -0.67 3.25 -0.16 3.99 1.51 -1.26 -4.95 117.35 119.06 3g6a s TYR 203 Ca 0.31 -1.86 -0.02 0.00 -1.01 0.00 0.00 57.07 54.49 3g6a s TYR 203 Cb -0.19 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 3g6a s TYR 203 CO 0.19 -0.80 -0.09 0.42 -1.11 0.00 0.00 175.55 174.16 3g6a s ILE 204 N 1.26 3.34 -0.13 2.71 1.01 -1.26 -0.50 121.20 127.63 3g6a s ILE 204 Ca -0.05 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3g6a s ILE 204 Cb -0.19 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 3g6a s ILE 204 CO -0.01 0.49 0.37 0.00 0.00 0.00 0.00 174.94 175.79 3g6a s ASN 206 N 0.33 5.36 -0.15 0.00 -0.87 0.11 -0.89 114.94 118.82 3g6a s ASN 206 Ca 0.21 -0.91 0.00 0.00 -1.57 0.00 0.00 52.86 50.59 3g6a s ASN 206 Cb -0.14 -1.92 -0.00 0.00 -0.02 0.00 0.00 41.25 39.17 3g6a s ASN 206 CO 0.07 -0.28 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.48 3g6a s VAL 207 N 1.49 2.71 0.00 1.60 1.01 0.92 -1.02 120.40 127.11 3g6a s VAL 207 Ca 0.01 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.30 3g6a s VAL 207 Cb -0.18 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3g6a s VAL 207 CO 0.04 0.52 -0.21 0.20 0.00 0.00 0.00 175.10 175.64 3g6a s ASN 208 N 0.75 2.48 -0.34 3.32 0.02 -0.48 -0.64 114.94 120.05 3g6a s ASN 208 Ca -0.06 -0.43 -0.01 0.00 -1.02 0.00 0.00 52.86 51.35 3g6a s ASN 208 Cb -0.15 -0.25 0.11 0.00 0.02 0.00 0.00 41.25 40.97 3g6a s ASN 208 CO 0.01 0.23 0.14 -2.28 0.02 0.00 0.00 177.10 175.22 3g6a s HIS 209 N -0.59 1.49 0.21 2.20 2.46 0.31 -1.48 115.29 119.88 3g6a s HIS 209 Ca 0.08 -1.76 -0.10 0.00 0.47 0.00 0.00 55.06 53.75 3g6a s HIS 209 Cb -0.08 -1.57 0.16 0.00 -0.13 0.00 0.00 32.58 30.96 3g6a s HIS 209 CO 0.00 -0.85 1.87 0.87 -2.47 0.00 0.00 174.74 174.16 3g6a h LYS 210 N 7.75 0.93 -0.96 2.88 6.56 -1.80 -0.95 116.57 130.97 3g6a h LYS 210 Ca -0.10 -0.06 0.22 0.00 -1.06 0.00 0.00 60.65 59.66 3g6a h LYS 210 Cb 0.99 -0.21 -0.12 0.00 -0.57 0.00 0.00 32.23 32.32 3g6a h LYS 210 CO 0.45 0.61 0.53 -1.35 -2.06 0.00 0.00 179.45 177.63 3g6a h PRO 211 N 0.95 0.55 -0.41 3.15 0.11 -1.91 0.11 132.00 134.56 3g6a h PRO 211 Ca 0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3g6a h PRO 211 Cb -0.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.91 3g6a h PRO 211 CO -0.07 0.36 0.00 -1.13 -0.21 0.00 0.00 178.00 176.95 3g6a n SER 212 N -4.91 3.45 -4.07 -2.05 3.41 -1.01 -4.94 113.62 103.51 3g6a n SER 212 Ca 0.24 -1.98 -0.33 0.00 -0.26 0.00 0.00 58.87 56.55 3g6a n SER 212 Cb 0.68 -0.26 -0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3g6a n SER 212 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3g6a n ASN 213 N 1.44 -3.61 -4.78 4.04 3.02 0.39 -4.84 115.26 110.93 3g6a n ASN 213 Ca 0.19 -0.91 -0.36 0.00 -0.03 0.00 0.00 54.58 53.46 3g6a n ASN 213 Cb 0.59 -3.27 -0.07 0.00 -0.61 0.00 0.00 39.78 36.42 3g6a n ASN 213 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g6a s THR 214 N -3.36 5.35 -0.09 3.41 2.01 -0.42 -4.97 115.64 117.58 3g6a s THR 214 Ca 0.63 0.42 -0.02 0.00 0.31 0.00 0.00 61.69 63.02 3g6a s THR 214 Cb -0.33 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.67 3g6a s THR 214 CO 0.88 0.48 0.04 -0.54 -0.69 0.00 0.00 174.62 174.79 3g6a s LYS 215 N -0.09 0.32 -0.04 4.92 1.02 -1.26 -0.53 119.74 124.07 3g6a s LYS 215 Ca 0.15 0.11 0.04 0.00 0.02 0.00 0.00 55.97 56.29 3g6a s LYS 215 Cb -0.13 -1.06 -0.00 0.00 -0.52 0.00 0.00 37.83 36.12 3g6a s LYS 215 CO 0.04 -0.40 -0.15 0.08 -0.92 0.00 0.00 175.35 174.00 3g6a s VAL 216 N 2.05 1.27 -0.24 3.17 1.01 0.18 -4.99 120.40 122.84 3g6a s VAL 216 Ca 0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3g6a s VAL 216 Cb -0.13 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.17 3g6a s VAL 216 CO -0.05 0.37 -0.05 -1.81 0.00 0.00 0.00 175.10 173.56 3g6a s ASP 217 N 0.10 4.31 -0.29 3.32 1.01 -1.26 -0.06 116.67 123.79 3g6a s ASP 217 Ca -0.04 -0.71 0.02 0.00 0.71 0.00 0.00 52.55 52.52 3g6a s ASP 217 Cb -0.11 -1.69 0.07 0.00 1.01 0.00 0.00 42.92 42.19 3g6a s ASP 217 CO 0.02 -0.10 -0.04 -0.75 0.21 0.00 0.00 175.17 174.51 3g6a s LYS 218 N 1.38 2.16 -0.04 8.23 2.47 -0.07 -4.95 119.74 128.93 3g6a s LYS 218 Ca 0.02 -1.43 -0.30 0.00 -1.56 0.00 0.00 55.97 52.70 3g6a s LYS 218 Cb -0.16 -3.06 -0.05 0.00 -1.46 0.00 0.00 37.83 33.10 3g6a s LYS 218 CO -0.04 -0.67 1.52 0.21 0.16 0.00 0.00 175.35 176.54 3g6a s LYS 219 N 1.11 4.22 -0.29 4.03 2.20 -1.26 -1.40 119.74 128.35 3g6a s LYS 219 Ca -0.04 2.07 -0.10 0.00 -0.36 0.00 0.00 55.97 57.54 3g6a s LYS 219 Cb -0.20 -3.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 3g6a s LYS 219 CO -0.04 -0.73 0.17 0.08 -0.36 0.00 0.00 175.35 174.46 3g6a s VAL 220 N 3.28 4.95 0.22 4.02 1.01 0.34 -4.90 120.40 129.31 3g6a s VAL 220 Ca 0.68 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.65 3g6a s VAL 220 Cb -0.32 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3g6a s VAL 220 CO 0.27 0.18 -0.07 -1.83 0.00 0.00 0.00 175.10 173.65 3g6a s GLU 221 N 1.69 2.11 0.00 2.72 -1.05 -1.26 -4.24 118.70 118.67 3g6a s GLU 221 Ca 0.06 -1.35 0.26 0.00 -0.15 0.00 0.00 54.97 53.79 3g6a s GLU 221 Cb -0.16 -2.13 0.72 0.00 -0.44 0.00 0.00 34.13 32.11 3g6a s GLU 221 CO 0.08 0.40 1.56 -0.35 0.95 0.00 0.00 175.26 177.91