#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grb s ALA 19 N 0.00 3.28 -0.02 3.52 0.00 -1.11 -4.87 121.76 122.56 1grb s ALA 19 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 1grb s ALA 19 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1grb s ALA 19 CO 0.00 -0.33 0.06 0.45 0.00 0.00 0.00 175.76 175.94 1grb s SER 20 N 1.02 5.59 0.32 0.00 0.15 -1.26 -1.11 113.70 118.42 1grb s SER 20 Ca 0.55 0.14 0.03 0.00 0.70 0.00 0.00 55.95 57.38 1grb s SER 20 Cb -0.25 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 1grb s SER 20 CO 0.29 0.29 0.12 -0.31 1.20 0.00 0.00 173.24 174.83 1grb s TYR 21 N -1.13 1.69 0.04 3.44 1.51 -0.71 -4.95 117.35 117.23 1grb s TYR 21 Ca 0.21 -1.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.03 1grb s TYR 21 Cb -0.12 -1.00 -0.26 0.00 -0.11 0.00 0.00 41.96 40.47 1grb s TYR 21 CO 0.11 -0.35 0.98 -0.44 -1.11 0.00 0.00 175.55 174.74 1grb h ASP 22 N 2.14 0.26 -3.35 2.29 3.32 -0.67 -3.36 116.42 117.04 1grb h ASP 22 Ca -0.36 -0.34 -0.21 0.00 0.02 0.00 0.00 57.03 56.15 1grb h ASP 22 Cb 1.25 -0.08 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 1grb h ASP 22 CO 0.58 1.28 -0.51 -0.47 -1.72 0.00 0.00 179.24 178.39 1grb s TYR 23 N -2.64 -0.30 -0.13 4.55 5.04 -1.02 -3.72 117.35 119.13 1grb s TYR 23 Ca -0.05 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.33 1grb s TYR 23 Cb 0.08 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.41 1grb s TYR 23 CO 0.85 -0.22 -0.21 -0.51 -1.34 0.00 0.00 175.55 174.11 1grb s LEU 24 N 1.28 2.19 -0.18 6.97 1.43 -0.86 -2.03 118.68 127.48 1grb s LEU 24 Ca -0.09 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1grb s LEU 24 Cb -0.11 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1grb s LEU 24 CO -0.08 0.11 -0.15 -0.69 0.23 0.00 0.00 176.35 175.77 1grb s VAL 25 N 0.63 2.55 -0.47 -1.59 1.01 -0.76 -0.20 120.40 121.57 1grb s VAL 25 Ca -0.11 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1grb s VAL 25 Cb -0.16 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.18 1grb s VAL 25 CO 0.02 0.51 0.47 -0.63 0.00 0.00 0.00 175.10 175.47 1grb s ILE 26 N 1.12 5.10 0.00 2.22 1.01 0.76 -0.22 121.20 131.19 1grb s ILE 26 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1grb s ILE 26 Cb -0.14 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1grb s ILE 26 CO -0.05 -0.61 0.00 0.61 0.00 0.00 0.00 174.94 174.89 1grb n GLY 27 N 5.18 3.12 2.78 6.18 0.00 -0.11 0.02 105.19 122.36 1grb n GLY 27 Ca -0.10 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1grb n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grb n GLY 28 N 0.70 5.64 0.00 -0.02 0.00 -1.24 -4.27 105.19 106.00 1grb n GLY 28 Ca 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.52 1grb n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grb n GLY 29 N -0.58 2.15 0.17 -0.02 0.00 -1.26 -1.44 105.19 104.21 1grb n GLY 29 Ca 0.53 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 1grb n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1grb h SER 30 N 0.00 -0.38 -0.33 1.61 0.02 -1.94 -0.46 113.55 112.08 1grb h SER 30 Ca 0.00 0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1grb h SER 30 Cb 0.00 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1grb h SER 30 CO 0.00 -0.16 -0.21 1.23 -1.14 0.00 0.00 176.83 176.55 1grb h GLY 31 N -0.15 0.78 0.70 -3.77 0.00 -1.87 -2.25 103.07 96.52 1grb h GLY 31 Ca 0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1grb h GLY 31 CO -0.21 0.66 -0.00 -1.33 0.00 0.00 0.00 176.54 175.66 1grb h GLY 32 N 0.49 0.09 0.94 4.60 0.00 -1.71 -2.24 103.07 105.23 1grb h GLY 32 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1grb h GLY 32 CO 0.06 0.06 0.01 1.41 0.00 0.00 0.00 176.54 178.08 1grb h LEU 33 N -0.23 0.02 -0.68 3.11 3.38 -1.17 -1.92 115.31 117.81 1grb h LEU 33 Ca 0.01 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1grb h LEU 33 Cb 0.35 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1grb h LEU 33 CO 0.00 0.07 0.36 0.00 0.09 0.00 0.00 178.44 178.97 1grb h ALA 34 N 0.94 0.92 0.04 1.53 0.00 -1.42 -0.58 119.26 120.70 1grb h ALA 34 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1grb h ALA 34 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1grb h ALA 34 CO -0.00 0.01 -0.02 1.03 0.00 0.00 0.00 179.25 180.27 1grb h SER 35 N 0.65 -0.04 -0.49 0.00 0.87 -1.32 -2.47 113.55 110.75 1grb h SER 35 Ca 0.32 -0.28 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1grb h SER 35 Cb 0.26 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.17 1grb h SER 35 CO -0.22 0.26 0.17 0.00 -0.53 0.00 0.00 176.83 176.52 1grb h ALA 36 N 0.60 0.59 -0.74 6.23 0.00 -1.15 0.17 119.26 124.97 1grb h ALA 36 Ca -0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1grb h ALA 36 Cb 0.32 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1grb h ALA 36 CO 0.01 -0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.28 1grb h ARG 37 N 0.34 1.14 -0.11 0.00 3.08 -1.12 -0.12 114.38 117.59 1grb h ARG 37 Ca 0.23 -0.23 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1grb h ARG 37 Cb 0.25 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.14 1grb h ARG 37 CO -0.24 0.96 -0.81 -0.09 -1.07 0.00 0.00 179.97 178.72 1grb h ARG 38 N 1.09 0.68 -0.20 0.04 9.65 -1.04 -2.55 114.38 122.05 1grb h ARG 38 Ca 0.24 -0.58 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1grb h ARG 38 Cb 0.29 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1grb h ARG 38 CO -0.01 1.20 0.13 0.00 2.80 0.00 0.00 179.97 184.08 1grb h ALA 39 N 0.63 0.26 -0.71 2.80 0.00 -0.69 -2.18 119.26 119.37 1grb h ALA 39 Ca -0.06 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1grb h ALA 39 Cb 1.43 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1grb h ALA 39 CO 0.16 -0.25 0.47 0.00 0.00 0.00 0.00 179.25 179.63 1grb h ALA 40 N 1.05 1.72 0.00 0.00 0.00 -1.00 -0.73 119.26 120.29 1grb h ALA 40 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1grb h ALA 40 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1grb h ALA 40 CO -0.01 0.17 -0.14 0.93 0.00 0.00 0.00 179.25 180.19 1grb h GLU 41 N 0.73 0.00 -0.02 0.00 5.08 -0.97 -1.82 114.58 117.59 1grb h GLU 41 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1grb h GLU 41 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1grb h GLU 41 CO -0.10 0.14 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 1grb n LEU 42 N -4.19 1.03 0.00 1.33 4.77 -0.36 -4.90 117.00 114.68 1grb n LEU 42 Ca -0.02 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1grb n LEU 42 Cb 0.21 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1grb n LEU 42 CO 0.34 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1grb n GLY 43 N 1.11 0.49 3.77 -0.72 0.00 -0.68 -4.97 105.19 104.18 1grb n GLY 43 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1grb n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grb s ALA 44 N -2.00 3.35 -0.53 4.61 0.00 -0.75 -4.95 121.76 121.49 1grb s ALA 44 Ca 0.00 1.35 -0.20 0.00 0.00 0.00 0.00 51.96 53.11 1grb s ALA 44 Cb 0.00 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1grb s ALA 44 CO 0.00 -0.92 0.70 0.50 0.00 0.00 0.00 175.76 176.04 1grb s ARG 45 N -2.18 3.14 0.16 0.00 6.06 -1.26 -4.19 118.95 120.67 1grb s ARG 45 Ca 0.56 -0.87 0.09 0.00 -2.50 0.00 0.00 55.73 53.01 1grb s ARG 45 Cb -0.41 -4.12 -0.04 0.00 0.06 0.00 0.00 34.95 30.43 1grb s ARG 45 CO 0.54 -1.33 -0.12 0.00 -2.50 0.00 0.00 175.30 171.88 1grb s ALA 46 N 2.88 2.86 0.03 6.12 0.00 -1.26 0.09 121.76 132.48 1grb s ALA 46 Ca 0.17 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.74 1grb s ALA 46 Cb -0.19 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1grb s ALA 46 CO 0.12 0.52 -0.10 0.00 0.00 0.00 0.00 175.76 176.30 1grb s ALA 47 N -1.50 0.77 -0.17 0.00 0.00 -0.86 -2.08 121.76 117.91 1grb s ALA 47 Ca 0.22 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1grb s ALA 47 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1grb s ALA 47 CO 0.13 0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.94 1grb s VAL 48 N -0.90 2.69 -0.17 0.00 1.01 0.23 -1.83 120.40 121.42 1grb s VAL 48 Ca -0.03 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1grb s VAL 48 Cb -0.07 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1grb s VAL 48 CO 0.01 0.50 0.40 -0.69 0.00 0.00 0.00 175.10 175.31 1grb s VAL 49 N 1.06 5.22 -0.04 2.92 1.01 0.69 -0.02 120.40 131.24 1grb s VAL 49 Ca -0.01 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 1grb s VAL 49 Cb -0.15 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1grb s VAL 49 CO -0.04 0.30 0.07 -0.70 0.00 0.00 0.00 175.10 174.73 1grb s GLU 50 N 0.99 -0.01 0.07 2.72 2.56 0.18 -0.93 118.70 124.28 1grb s GLU 50 Ca 0.20 0.29 0.22 0.00 0.00 0.00 0.00 54.97 55.68 1grb s GLU 50 Cb -0.14 -0.28 -0.11 0.00 2.00 0.00 0.00 34.13 35.60 1grb s GLU 50 CO 0.08 -0.20 0.84 -1.13 -0.56 0.00 0.00 175.26 174.28 1grb n SER 51 N 4.45 0.49 0.00 -1.70 3.41 -1.03 -0.60 113.62 118.64 1grb n SER 51 Ca -0.22 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1grb n SER 51 Cb 0.50 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 1grb n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1grb n HIS 52 N -2.27 0.00 -4.45 7.33 8.25 -1.26 -4.58 115.22 118.23 1grb n HIS 52 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 1grb n HIS 52 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 1grb n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1grb s LYS 53 N 2.74 3.00 0.66 -0.41 1.02 -1.26 -5.02 119.74 120.48 1grb s LYS 53 Ca 0.00 -0.46 -0.17 0.00 0.02 0.00 0.00 55.97 55.37 1grb s LYS 53 Cb 0.00 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1grb s LYS 53 CO 0.00 0.64 1.20 -0.51 -0.92 0.00 0.00 175.35 175.76 1grb s LEU 54 N -0.72 3.47 0.00 3.17 1.43 -1.26 -2.57 118.68 122.21 1grb s LEU 54 Ca 0.11 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1grb s LEU 54 Cb -0.11 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.52 1grb s LEU 54 CO 0.02 -1.91 0.00 0.61 0.23 0.00 0.00 176.35 175.30 1grb n GLY 55 N 0.34 2.99 7.00 -3.19 0.00 -0.52 -4.75 105.19 107.06 1grb n GLY 55 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1grb n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grb n GLY 56 N -1.12 2.00 0.09 -0.02 0.00 -1.06 -2.87 105.19 102.21 1grb n GLY 56 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1grb n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1grb h THR 57 N 0.00 0.91 -0.35 2.61 2.02 -1.93 -2.45 112.91 113.72 1grb h THR 57 Ca 0.00 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.24 1grb h THR 57 Cb 0.00 0.85 -0.09 0.00 -1.74 0.00 0.00 68.15 67.17 1grb h THR 57 CO 0.00 0.01 -0.27 0.00 0.37 0.00 0.00 175.52 175.63 1grb h VAL 59 N -0.22 1.51 0.05 0.00 2.07 -1.55 -1.32 116.25 116.79 1grb h VAL 59 Ca 0.17 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 1grb h VAL 59 Cb 0.50 2.54 0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1grb h VAL 59 CO -0.48 0.42 -0.31 0.78 0.02 0.00 0.00 177.57 178.00 1grb h ASN 60 N -0.56 0.18 -0.22 0.57 2.35 -1.40 -3.39 115.58 113.11 1grb h ASN 60 Ca -0.00 -0.98 -0.21 0.00 -0.55 0.00 0.00 56.30 54.55 1grb h ASN 60 Cb 0.73 -0.06 -0.39 0.00 0.05 0.00 0.00 38.32 38.65 1grb h ASN 60 CO 0.01 1.14 -1.06 1.33 -1.65 0.00 0.00 177.43 177.21 1grb n VAL 61 N -4.43 0.72 0.00 2.81 0.24 -0.62 -4.87 118.33 112.18 1grb n VAL 61 Ca -0.11 -2.04 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 1grb n VAL 61 Cb 0.61 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 1grb n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1grb n GLY 62 N -0.09 3.92 0.24 7.63 0.00 0.37 -4.82 105.19 112.44 1grb n GLY 62 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1grb n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grb h VAL 64 N 0.00 0.00 -0.71 0.00 2.07 -1.51 -1.23 116.25 114.86 1grb h VAL 64 Ca 0.09 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.70 1grb h VAL 64 Cb 0.24 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 1grb h VAL 64 CO -0.54 0.00 0.47 1.55 0.02 0.00 0.00 177.57 179.07 1grb h PRO 65 N -0.64 0.53 0.11 1.57 0.13 -1.75 -2.13 132.00 129.82 1grb h PRO 65 Ca -0.06 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1grb h PRO 65 Cb 0.48 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1grb h PRO 65 CO 0.10 0.35 -0.05 -0.22 -0.23 0.00 0.00 178.00 177.95 1grb h LYS 66 N 0.55 -0.14 -0.80 0.86 3.11 -1.15 -2.43 116.57 116.56 1grb h LYS 66 Ca 0.33 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.18 1grb h LYS 66 Cb 0.56 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.79 1grb h LYS 66 CO -0.11 -0.07 0.48 -0.22 -2.81 0.00 0.00 179.45 176.71 1grb h LYS 67 N -0.17 1.08 -0.56 1.90 1.63 -0.61 0.15 116.57 120.00 1grb h LYS 67 Ca -0.02 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1grb h LYS 67 Cb 0.13 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1grb h LYS 67 CO 0.02 0.76 0.37 0.28 -3.45 0.00 0.00 179.45 177.43 1grb h VAL 68 N 1.10 1.14 -0.33 2.00 2.07 -1.29 -0.13 116.25 120.81 1grb h VAL 68 Ca 0.29 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 1grb h VAL 68 Cb -0.05 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1grb h VAL 68 CO -0.05 0.14 -0.19 0.24 0.02 0.00 0.00 177.57 177.73 1grb h MET 69 N 0.75 0.61 -0.44 1.57 2.86 -0.77 -2.03 114.93 117.49 1grb h MET 69 Ca 0.20 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1grb h MET 69 Cb -0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1grb h MET 69 CO -0.04 0.77 0.21 2.35 1.06 0.00 0.00 176.91 181.26 1grb h TRP 70 N 0.55 0.63 -0.27 -0.22 7.01 -0.32 -1.19 115.95 122.12 1grb h TRP 70 Ca 0.09 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1grb h TRP 70 Cb 0.63 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 1grb h TRP 70 CO 0.03 0.50 0.09 -0.91 -2.79 0.00 0.00 178.44 175.36 1grb h ASN 71 N 0.57 0.34 -0.36 2.65 2.35 -0.73 0.69 115.58 121.09 1grb h ASN 71 Ca 0.15 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1grb h ASN 71 Cb 0.11 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1grb h ASN 71 CO -0.02 0.33 -0.14 0.74 -1.65 0.00 0.00 177.43 176.69 1grb h THR 72 N 0.38 1.28 -0.29 2.81 2.02 -0.92 -2.17 112.91 116.02 1grb h THR 72 Ca 0.10 -1.25 -0.10 0.00 0.77 0.00 0.00 66.41 65.93 1grb h THR 72 Cb 0.11 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1grb h THR 72 CO -0.01 0.41 -0.22 0.00 0.37 0.00 0.00 175.52 176.07 1grb h ALA 73 N 0.80 1.07 -0.83 6.16 0.00 -0.66 -2.16 119.26 123.64 1grb h ALA 73 Ca 0.08 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1grb h ALA 73 Cb 0.67 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1grb h ALA 73 CO 0.05 0.57 0.55 0.28 0.00 0.00 0.00 179.25 180.69 1grb h VAL 74 N 0.49 1.20 -0.74 0.00 2.07 -0.73 -1.31 116.25 117.23 1grb h VAL 74 Ca 0.07 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1grb h VAL 74 Cb 0.65 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1grb h VAL 74 CO 0.05 0.20 0.41 0.45 0.02 0.00 0.00 177.57 178.70 1grb h HIS 75 N 1.11 1.01 -0.34 1.57 3.86 -0.76 -1.92 115.15 119.68 1grb h HIS 75 Ca 0.31 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.55 1grb h HIS 75 Cb -0.10 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.01 1grb h HIS 75 CO -0.00 0.71 0.06 1.03 0.86 0.00 0.00 177.93 180.59 1grb h SER 76 N 1.02 -0.00 -0.19 2.45 0.87 -0.85 -1.61 113.55 115.24 1grb h SER 76 Ca 0.26 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1grb h SER 76 Cb 0.03 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1grb h SER 76 CO -0.04 0.04 0.01 -0.33 -0.53 0.00 0.00 176.83 175.98 1grb h GLU 77 N 0.18 0.32 -0.47 2.24 5.08 -1.16 -2.88 114.58 117.89 1grb h GLU 77 Ca 0.16 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1grb h GLU 77 Cb 0.18 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1grb h GLU 77 CO -0.21 0.51 0.25 0.74 -1.00 0.00 0.00 179.01 179.29 1grb h PHE 78 N 0.09 0.46 -0.06 4.33 0.04 -1.30 -1.32 116.94 119.19 1grb h PHE 78 Ca 0.06 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.86 1grb h PHE 78 Cb 0.35 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1grb h PHE 78 CO 0.03 0.24 0.23 1.98 -0.60 0.00 0.00 178.31 180.19 1grb h MET 79 N 0.50 0.00 0.00 1.51 1.85 -1.14 0.28 114.93 117.93 1grb h MET 79 Ca 0.20 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.19 1grb h MET 79 Cb 0.08 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 1grb h MET 79 CO -0.13 0.00 -0.49 0.45 -0.40 0.00 0.00 176.91 176.35 1grb h HIS 80 N 0.00 0.00 -0.01 1.39 3.86 -1.03 -3.16 115.15 116.21 1grb h HIS 80 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1grb h HIS 80 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1grb h HIS 80 CO 0.00 0.49 -0.21 -0.25 0.86 0.00 0.00 177.93 178.82 1grb n ASP 81 N -3.63 0.80 -0.13 2.45 8.00 0.99 -4.53 116.55 120.50 1grb n ASP 81 Ca -0.01 -0.73 -0.04 0.00 0.71 0.00 0.00 54.79 54.72 1grb n ASP 81 Cb 0.57 0.06 0.02 0.00 -0.02 0.00 0.00 41.12 41.75 1grb n ASP 81 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1grb h HIS 82 N 0.92 -0.32 -0.31 1.24 2.76 -1.49 -1.96 115.15 115.99 1grb h HIS 82 Ca 0.00 0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 1grb h HIS 82 Cb 0.46 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 1grb h HIS 82 CO 0.00 -0.22 -0.24 0.00 -1.30 0.00 0.00 177.93 176.17 1grb h ALA 83 N 1.36 1.00 0.00 5.26 0.00 -1.80 -1.99 119.26 123.09 1grb h ALA 83 Ca 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1grb h ALA 83 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1grb h ALA 83 CO -0.47 0.59 -0.10 -0.44 0.00 0.00 0.00 179.25 178.82 1grb h ASP 84 N 0.53 0.00 -0.29 0.00 3.32 -1.65 -1.51 116.42 116.83 1grb h ASP 84 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1grb h ASP 84 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1grb h ASP 84 CO 0.05 0.10 0.00 -1.22 -1.72 0.00 0.00 179.24 176.46 1grb n TYR 85 N -4.30 0.38 -0.05 4.55 4.01 -0.85 -4.88 117.16 116.02 1grb n TYR 85 Ca -0.03 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1grb n TYR 85 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1grb n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1grb n GLY 86 N 1.17 0.98 3.90 2.72 0.00 -0.57 -5.06 105.19 108.32 1grb n GLY 86 Ca 0.15 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1grb n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1grb s PHE 87 N -2.00 2.54 0.21 1.61 0.08 -0.81 -5.02 117.98 114.59 1grb s PHE 87 Ca 0.00 -0.53 -0.17 0.00 0.12 0.00 0.00 56.93 56.34 1grb s PHE 87 Cb 0.00 -2.17 -0.08 0.00 -0.57 0.00 0.00 43.02 40.21 1grb s PHE 87 CO 0.00 -0.24 0.67 -2.14 -0.10 0.00 0.00 175.22 173.41 1grb s PRO 88 N -4.19 4.14 0.21 0.24 0.02 -1.26 -3.90 135.00 130.25 1grb s PRO 88 Ca 0.48 0.73 -0.32 0.00 0.02 0.00 0.00 61.00 61.90 1grb s PRO 88 Cb -0.04 -2.85 -0.14 0.00 0.02 0.00 0.00 34.50 31.50 1grb s PRO 88 CO 0.28 0.40 1.46 0.45 -0.33 0.00 0.00 177.00 179.26 1grb n SER 89 N 0.63 2.83 -4.70 2.53 2.88 -1.26 -4.65 113.62 111.87 1grb n SER 89 Ca -0.03 1.12 -0.38 0.00 -1.33 0.00 0.00 58.87 58.25 1grb n SER 89 Cb 0.51 -1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 62.49 1grb n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1grb h GLU 91 N 6.97 0.00 0.00 0.00 4.11 -1.97 -3.50 114.58 120.19 1grb h GLU 91 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1grb h GLU 91 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1grb h GLU 91 CO 0.75 0.72 0.00 0.41 0.07 0.00 0.00 179.01 180.96 1grb n GLY 92 N 1.18 1.31 3.63 1.06 0.00 -1.26 -5.09 105.19 106.02 1grb n GLY 92 Ca 0.01 0.22 -0.52 0.00 0.00 0.00 0.00 46.02 45.73 1grb n GLY 92 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1grb n LYS 93 N 0.00 1.55 -2.50 1.61 2.85 -1.26 -4.98 118.16 115.43 1grb n LYS 93 Ca 0.00 0.54 -0.39 0.00 -1.05 0.00 0.00 58.31 57.41 1grb n LYS 93 Cb 0.00 -2.43 -0.04 0.00 -0.65 0.00 0.00 35.03 31.90 1grb n LYS 93 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1grb s PHE 94 N 4.87 3.47 -0.34 5.58 5.36 -1.26 -5.01 117.98 130.64 1grb s PHE 94 Ca 0.99 1.68 -0.02 0.00 -0.96 0.00 0.00 56.93 58.63 1grb s PHE 94 Cb -0.85 -3.23 0.08 0.00 -0.34 0.00 0.00 43.02 38.68 1grb s PHE 94 CO 0.55 -0.57 0.08 1.21 -1.46 0.00 0.00 175.22 175.03 1grb s ASN 95 N -1.13 5.01 0.22 6.13 3.84 -1.26 -4.96 114.94 122.79 1grb s ASN 95 Ca 0.49 -1.63 -0.09 0.00 0.21 0.00 0.00 52.86 51.84 1grb s ASN 95 Cb -0.28 -1.74 0.22 0.00 -0.55 0.00 0.00 41.25 38.89 1grb s ASN 95 CO 0.36 -0.37 1.87 -0.25 -2.79 0.00 0.00 177.10 175.92 1grb h TRP 96 N 7.98 0.95 0.00 0.43 2.91 -1.95 -3.04 115.95 123.23 1grb h TRP 96 Ca -0.16 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.85 1grb h TRP 96 Cb 1.05 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 29.38 1grb h TRP 96 CO 0.58 0.56 -0.16 0.07 -1.03 0.00 0.00 178.44 178.45 1grb h ARG 97 N 1.00 0.00 -0.07 2.65 0.11 -1.93 0.39 114.38 116.51 1grb h ARG 97 Ca 0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.38 1grb h ARG 97 Cb -0.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.06 1grb h ARG 97 CO -0.10 0.16 -0.00 0.28 0.10 0.00 0.00 179.97 180.41 1grb h VAL 98 N 0.00 1.26 0.00 0.08 2.07 -1.91 -1.06 116.25 116.68 1grb h VAL 98 Ca -0.00 -0.82 -0.17 0.00 0.82 0.00 0.00 66.70 66.53 1grb h VAL 98 Cb 0.34 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1grb h VAL 98 CO 0.02 0.23 -0.81 -0.29 0.02 0.00 0.00 177.57 176.73 1grb h ILE 99 N -0.16 1.51 -0.60 4.57 6.09 -1.57 -2.90 117.51 124.45 1grb h ILE 99 Ca 0.02 -2.86 -0.07 0.00 -1.37 0.00 0.00 64.86 60.58 1grb h ILE 99 Cb 0.36 2.57 -0.02 0.00 0.47 0.00 0.00 36.82 40.20 1grb h ILE 99 CO 0.00 0.80 0.08 0.50 -3.07 0.00 0.00 178.15 176.46 1grb h LYS 100 N 0.00 0.98 -0.33 2.19 3.64 -0.78 0.24 116.57 122.51 1grb h LYS 100 Ca -0.01 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1grb h LYS 100 Cb 1.51 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1grb h LYS 100 CO 0.11 0.91 -0.29 0.93 -2.27 0.00 0.00 179.45 178.84 1grb h GLU 101 N 0.92 0.70 0.00 1.90 5.08 -1.10 -1.73 114.58 120.35 1grb h GLU 101 Ca 0.18 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1grb h GLU 101 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1grb h GLU 101 CO 0.01 0.90 -0.47 0.87 -1.00 0.00 0.00 179.01 179.32 1grb h LYS 102 N 0.60 0.00 -0.04 2.33 1.57 -1.25 -2.46 116.57 117.31 1grb h LYS 102 Ca 0.07 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1grb h LYS 102 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1grb h LYS 102 CO 0.07 0.47 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.15 1grb h ARG 103 N 0.00 0.19 -0.89 3.15 2.43 -0.67 -2.39 114.38 116.20 1grb h ARG 103 Ca -0.00 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1grb h ARG 103 Cb 0.99 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 1grb h ARG 103 CO 0.06 0.80 0.59 -0.44 -1.51 0.00 0.00 179.97 179.47 1grb h ASP 104 N -0.38 0.96 -0.64 -3.80 3.32 -1.27 -1.54 116.42 113.07 1grb h ASP 104 Ca -0.01 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1grb h ASP 104 Cb 0.83 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1grb h ASP 104 CO 0.04 0.66 0.13 0.00 -1.72 0.00 0.00 179.24 178.35 1grb h ALA 105 N 1.48 0.84 -0.69 3.45 0.00 -1.41 -1.51 119.26 121.42 1grb h ALA 105 Ca 0.36 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1grb h ALA 105 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1grb h ALA 105 CO -0.11 0.57 0.19 -0.92 0.00 0.00 0.00 179.25 178.99 1grb h TYR 106 N 0.95 1.14 -0.76 0.00 3.20 -0.87 -0.11 116.97 120.52 1grb h TYR 106 Ca 0.20 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1grb h TYR 106 Cb 0.39 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1grb h TYR 106 CO 0.03 0.92 0.39 0.28 -1.64 0.00 0.00 178.16 178.14 1grb h VAL 107 N 1.03 1.23 -0.78 1.81 2.07 -1.15 -1.94 116.25 118.53 1grb h VAL 107 Ca 0.22 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1grb h VAL 107 Cb 0.34 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1grb h VAL 107 CO -0.00 0.27 0.32 0.28 0.02 0.00 0.00 177.57 178.46 1grb h SER 108 N 1.08 1.05 -0.49 0.57 0.02 -0.18 -0.91 113.55 114.69 1grb h SER 108 Ca 0.27 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1grb h SER 108 Cb 0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1grb h SER 108 CO -0.04 0.93 0.31 0.03 -1.14 0.00 0.00 176.83 176.92 1grb h ARG 109 N 1.12 0.66 -0.57 3.45 3.08 -0.58 -2.59 114.38 118.95 1grb h ARG 109 Ca 0.26 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 1grb h ARG 109 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1grb h ARG 109 CO -0.02 0.46 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.25 1grb h LEU 110 N 0.67 1.00 -0.98 3.04 3.38 -0.94 -1.43 115.31 120.05 1grb h LEU 110 Ca 0.18 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1grb h LEU 110 Cb -0.04 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1grb h LEU 110 CO -0.04 1.08 0.65 0.78 0.09 0.00 0.00 178.44 181.00 1grb h ASN 111 N 0.90 1.10 -0.18 -0.43 -0.26 -0.94 -1.61 115.58 114.16 1grb h ASN 111 Ca 0.16 -0.02 -0.11 0.00 -0.56 0.00 0.00 56.30 55.77 1grb h ASN 111 Cb 0.58 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1grb h ASN 111 CO 0.03 0.77 -0.25 0.00 -1.06 0.00 0.00 177.43 176.92 1grb h ALA 112 N 1.38 0.96 -0.46 -0.83 0.00 -1.07 -2.09 119.26 117.16 1grb h ALA 112 Ca 0.38 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1grb h ALA 112 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1grb h ALA 112 CO -0.10 0.60 0.15 0.82 0.00 0.00 0.00 179.25 180.73 1grb h ILE 113 N 0.56 1.22 -0.64 0.00 2.04 -0.74 -1.56 117.51 118.38 1grb h ILE 113 Ca 0.08 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1grb h ILE 113 Cb 0.72 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1grb h ILE 113 CO 0.06 0.26 0.07 1.88 0.00 0.00 0.00 178.15 180.42 1grb h TYR 114 N 0.61 1.17 -0.30 1.37 -1.99 -1.14 0.12 116.97 116.80 1grb h TYR 114 Ca 0.15 -0.18 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 1grb h TYR 114 Cb 0.25 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 1grb h TYR 114 CO 0.01 1.00 0.11 0.37 -0.00 0.00 0.00 178.16 179.64 1grb h GLN 115 N 1.00 0.46 -0.92 4.88 4.15 -1.28 -2.20 115.11 121.20 1grb h GLN 115 Ca 0.19 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1grb h GLN 115 Cb 0.48 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 1grb h GLN 115 CO 0.02 0.49 0.61 -0.97 -1.93 0.00 0.00 178.83 177.05 1grb h ASN 116 N 0.33 1.03 -0.71 -0.69 -0.00 -0.80 -1.09 115.58 113.64 1grb h ASN 116 Ca 0.10 -0.02 0.02 0.00 -0.00 0.00 0.00 56.30 56.40 1grb h ASN 116 Cb 0.21 -0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 38.25 1grb h ASN 116 CO -0.01 0.72 0.47 0.78 -0.00 0.00 0.00 177.43 179.40 1grb h ASN 117 N 1.20 0.79 0.03 1.15 -0.26 -0.41 -1.29 115.58 116.78 1grb h ASN 117 Ca 0.35 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.08 1grb h ASN 117 Cb -0.06 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.01 1grb h ASN 117 CO -0.09 0.56 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.75 1grb h LEU 118 N 0.92 -0.03 -0.63 1.61 3.38 -0.62 -3.02 115.31 116.92 1grb h LEU 118 Ca 0.27 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1grb h LEU 118 Cb -0.05 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1grb h LEU 118 CO -0.07 0.42 0.40 0.71 0.09 0.00 0.00 178.44 180.00 1grb h THR 119 N -0.49 1.11 0.00 0.22 1.35 -1.02 -0.05 112.91 114.02 1grb h THR 119 Ca -0.00 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1grb h THR 119 Cb 0.46 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1grb h THR 119 CO 0.01 0.15 -0.02 0.11 -0.25 0.00 0.00 175.52 175.51 1grb h LYS 120 N 0.80 0.00 -0.01 4.72 1.57 -1.30 -0.05 116.57 122.30 1grb h LYS 120 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1grb h LYS 120 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1grb h LYS 120 CO -0.09 0.02 -0.38 0.43 -0.57 0.00 0.00 179.45 178.86 1grb n SER 121 N -3.56 1.04 -0.78 0.86 7.64 -0.10 -4.94 113.62 113.78 1grb n SER 121 Ca -0.03 -0.84 -0.06 0.00 1.01 0.00 0.00 58.87 58.95 1grb n SER 121 Cb 0.12 0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1grb n SER 121 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1grb n HIS 122 N -0.81 -0.34 -3.42 1.43 8.25 -0.03 -4.89 115.22 115.40 1grb n HIS 122 Ca 0.10 0.02 -0.38 0.00 -0.26 0.00 0.00 57.72 57.20 1grb n HIS 122 Cb 0.36 -1.94 -0.06 0.00 1.12 0.00 0.00 29.99 29.47 1grb n HIS 122 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1grb s ILE 123 N -2.37 5.15 0.20 1.59 1.01 -0.87 -4.72 121.20 121.20 1grb s ILE 123 Ca 0.01 0.84 -0.28 0.00 0.00 0.00 0.00 60.65 61.22 1grb s ILE 123 Cb -0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 1grb s ILE 123 CO 0.01 0.43 0.86 -0.70 0.00 0.00 0.00 174.94 175.55 1grb s GLU 124 N -0.02 4.72 -0.28 2.79 2.12 -0.88 -4.46 118.70 122.70 1grb s GLU 124 Ca 0.23 1.34 -0.04 0.00 0.36 0.00 0.00 54.97 56.86 1grb s GLU 124 Cb -0.15 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 30.99 1grb s GLU 124 CO 0.10 0.54 0.01 0.42 -0.54 0.00 0.00 175.26 175.79 1grb s ILE 125 N -1.13 3.39 -0.33 -3.70 1.01 -1.26 0.75 121.20 119.92 1grb s ILE 125 Ca 0.39 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 1grb s ILE 125 Cb -0.25 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1grb s ILE 125 CO 0.29 0.09 0.22 -0.63 0.00 0.00 0.00 174.94 174.92 1grb s ILE 126 N 1.39 5.20 -0.12 2.92 1.01 0.97 -4.93 121.20 127.64 1grb s ILE 126 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 1grb s ILE 126 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1grb s ILE 126 CO -0.01 0.03 0.57 -0.13 0.00 0.00 0.00 174.94 175.41 1grb s ARG 127 N 1.71 4.34 0.00 2.79 3.00 -1.26 -0.64 118.95 128.89 1grb s ARG 127 Ca 0.06 0.61 0.00 0.00 0.00 0.00 0.00 55.73 56.40 1grb s ARG 127 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.31 1grb s ARG 127 CO 0.10 0.05 0.00 0.41 0.00 0.00 0.00 175.30 175.86 1grb n GLY 128 N 3.34 1.02 3.51 -3.53 0.00 0.23 -4.90 105.19 104.85 1grb n GLY 128 Ca -0.04 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1grb n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1grb s HIS 129 N -1.11 3.16 0.27 1.61 2.46 -1.26 -2.48 115.29 117.95 1grb s HIS 129 Ca 0.00 -0.22 -0.16 0.00 0.47 0.00 0.00 55.06 55.15 1grb s HIS 129 Cb 0.00 -2.33 -0.08 0.00 -0.13 0.00 0.00 32.58 30.04 1grb s HIS 129 CO 0.00 -0.29 0.71 0.00 -2.47 0.00 0.00 174.74 172.68 1grb s ALA 130 N 1.68 3.38 -0.08 1.58 0.00 -1.26 -4.46 121.76 122.60 1grb s ALA 130 Ca 0.06 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 1grb s ALA 130 Cb -0.16 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1grb s ALA 130 CO 0.07 0.35 0.33 0.00 0.00 0.00 0.00 175.76 176.51 1grb s ALA 131 N -1.80 -0.81 0.65 0.00 0.00 -1.02 -4.68 121.76 114.10 1grb s ALA 131 Ca 0.49 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 1grb s ALA 131 Cb -0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1grb s ALA 131 CO 0.19 -0.20 1.12 -0.06 0.00 0.00 0.00 175.76 176.81 1grb s PHE 132 N -0.47 2.56 0.45 0.00 0.08 0.60 -0.50 117.98 120.70 1grb s PHE 132 Ca -0.06 1.56 0.07 0.00 0.12 0.00 0.00 56.93 58.62 1grb s PHE 132 Cb -0.04 -3.22 -0.01 0.00 -0.57 0.00 0.00 43.02 39.18 1grb s PHE 132 CO 0.02 -1.79 0.37 0.95 -0.10 0.00 0.00 175.22 174.67 1grb s THR 133 N -2.23 2.36 -0.04 0.64 -4.23 0.10 -4.78 115.64 107.47 1grb s THR 133 Ca 0.69 -1.42 0.31 0.00 -1.18 0.00 0.00 61.69 60.09 1grb s THR 133 Cb -0.22 -2.78 0.37 0.00 1.34 0.00 0.00 72.50 71.21 1grb s THR 133 CO 0.40 0.00 1.91 0.77 -0.54 0.00 0.00 174.62 177.17 1grb h SER 134 N 1.00 0.00 -2.66 3.99 4.64 -1.86 -3.44 113.55 115.22 1grb h SER 134 Ca -0.40 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.32 1grb h SER 134 Cb 1.27 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.50 1grb h SER 134 CO 0.59 0.00 -0.07 0.47 -0.87 0.00 0.00 176.83 176.95 1grb n ASP 135 N -2.94 0.40 0.00 4.97 8.00 -1.26 -4.93 116.55 120.79 1grb n ASP 135 Ca 0.01 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.52 1grb n ASP 135 Cb 0.31 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1grb n ASP 135 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1grb n PRO 136 N 0.38 0.00 -2.25 -0.24 -0.02 -1.26 -4.36 135.00 127.24 1grb n PRO 136 Ca 0.11 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 1grb n PRO 136 Cb 0.38 -1.39 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 1grb n PRO 136 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1grb s LYS 137 N -2.58 4.37 -0.29 -0.52 -2.85 -1.26 -4.87 119.74 111.75 1grb s LYS 137 Ca 0.00 1.98 -0.40 0.00 -1.00 0.00 0.00 55.97 56.55 1grb s LYS 137 Cb 0.00 -3.27 -0.15 0.00 -2.06 0.00 0.00 37.83 32.35 1grb s LYS 137 CO 0.00 -0.35 1.80 -2.30 0.10 0.00 0.00 175.35 174.60 1grb n PRO 138 N 3.73 1.16 -3.81 1.78 -0.02 -1.26 -4.93 135.00 131.65 1grb n PRO 138 Ca 0.10 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1grb n PRO 138 Cb 0.44 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 1grb n PRO 138 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1grb s THR 139 N 3.96 -0.01 0.19 3.45 2.01 -1.26 -4.38 115.64 119.59 1grb s THR 139 Ca 1.00 0.04 0.07 0.00 0.31 0.00 0.00 61.69 63.11 1grb s THR 139 Cb -1.05 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1grb s THR 139 CO 0.64 0.02 0.06 0.27 -0.69 0.00 0.00 174.62 174.92 1grb s ILE 140 N 0.32 3.97 -0.09 1.82 -4.36 -0.82 0.00 121.20 122.05 1grb s ILE 140 Ca -0.02 -1.39 0.04 0.00 -0.26 0.00 0.00 60.65 59.02 1grb s ILE 140 Cb -0.03 -3.04 0.00 0.00 1.25 0.00 0.00 42.46 40.64 1grb s ILE 140 CO -0.01 -0.17 -0.21 -0.70 0.24 0.00 0.00 174.94 174.09 1grb s GLU 141 N -3.18 2.66 -0.22 0.37 2.12 0.34 -1.19 118.70 119.60 1grb s GLU 141 Ca 0.29 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.84 1grb s GLU 141 Cb -0.09 -2.05 0.07 0.00 0.26 0.00 0.00 34.13 32.32 1grb s GLU 141 CO 0.21 0.15 0.04 0.08 -0.54 0.00 0.00 175.26 175.20 1grb s VAL 142 N 0.39 0.62 -1.13 3.70 1.01 -0.41 -2.44 120.40 122.14 1grb s VAL 142 Ca -0.17 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1grb s VAL 142 Cb -0.17 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1grb s VAL 142 CO 0.07 -0.30 0.98 -1.20 0.00 0.00 0.00 175.10 174.66 1grb n SER 143 N 5.00 -5.17 0.00 3.32 7.64 -1.26 -2.50 113.62 120.64 1grb n SER 143 Ca -0.08 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1grb n SER 143 Cb 0.46 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 1grb n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1grb n GLY 144 N -1.68 3.10 3.90 0.23 0.00 -1.26 -5.02 105.19 104.45 1grb n GLY 144 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1grb n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1grb s LYS 145 N -0.34 3.57 0.04 1.61 1.02 -1.04 -5.08 119.74 119.52 1grb s LYS 145 Ca 0.00 -0.16 -0.00 0.00 0.02 0.00 0.00 55.97 55.83 1grb s LYS 145 Cb 0.00 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1grb s LYS 145 CO 0.00 0.55 0.16 0.15 -0.92 0.00 0.00 175.35 175.30 1grb s LYS 146 N -2.37 3.29 0.01 1.68 1.02 -1.26 -1.29 119.74 120.82 1grb s LYS 146 Ca 0.36 -0.47 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 1grb s LYS 146 Cb -0.13 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1grb s LYS 146 CO 0.23 0.62 -0.01 0.71 -0.92 0.00 0.00 175.35 175.98 1grb s TYR 147 N -1.41 0.17 0.17 3.18 2.02 -0.34 -2.75 117.35 118.39 1grb s TYR 147 Ca 0.31 -0.35 -0.09 0.00 -0.37 0.00 0.00 57.07 56.57 1grb s TYR 147 Cb -0.13 -0.13 -0.01 0.00 -0.40 0.00 0.00 41.96 41.30 1grb s TYR 147 CO 0.23 -0.14 0.29 -0.08 -1.57 0.00 0.00 175.55 174.28 1grb s THR 148 N -1.04 0.06 -0.09 -0.71 -1.32 -0.26 -1.94 115.64 110.33 1grb s THR 148 Ca -0.11 -1.43 -0.30 0.00 -1.21 0.00 0.00 61.69 58.64 1grb s THR 148 Cb -0.07 -1.92 0.11 0.00 -1.51 0.00 0.00 72.50 69.12 1grb s THR 148 CO -0.01 -0.25 0.93 0.00 -2.21 0.00 0.00 174.62 173.08 1grb s ALA 149 N -3.98 -1.88 -0.43 11.08 0.00 -1.26 -1.74 121.76 123.55 1grb s ALA 149 Ca 0.19 1.34 0.26 0.00 0.00 0.00 0.00 51.96 53.75 1grb s ALA 149 Cb 0.03 -0.20 0.96 0.00 0.00 0.00 0.00 23.12 23.91 1grb s ALA 149 CO 0.02 -0.47 1.77 -1.00 0.00 0.00 0.00 175.76 176.08 1grb h PRO 150 N 2.37 0.00 -3.88 0.00 0.13 -1.74 -3.41 132.00 125.46 1grb h PRO 150 Ca -0.20 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.43 1grb h PRO 150 Cb 1.19 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.94 1grb h PRO 150 CO 0.31 0.00 -0.78 -1.01 -0.23 0.00 0.00 178.00 176.30 1grb s HIS 151 N -3.32 1.12 -0.14 1.56 3.76 -1.24 -4.52 115.29 112.51 1grb s HIS 151 Ca 0.05 -0.60 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1grb s HIS 151 Cb 0.10 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.75 1grb s HIS 151 CO 0.50 -0.48 -0.20 0.42 -0.85 0.00 0.00 174.74 174.13 1grb s ILE 152 N 1.82 2.24 -0.19 0.60 1.01 0.02 -2.03 121.20 124.67 1grb s ILE 152 Ca 0.03 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 1grb s ILE 152 Cb -0.14 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1grb s ILE 152 CO -0.07 0.54 0.02 -0.22 0.00 0.00 0.00 174.94 175.21 1grb s LEU 153 N 0.71 3.45 -0.27 2.97 2.96 0.72 -0.93 118.68 128.28 1grb s LEU 153 Ca -0.09 -0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 1grb s LEU 153 Cb -0.16 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1grb s LEU 153 CO 0.01 0.12 0.20 -0.63 -1.32 0.00 0.00 176.35 174.73 1grb s ILE 154 N 0.66 5.31 -0.35 6.68 1.01 0.39 -0.17 121.20 134.72 1grb s ILE 154 Ca 0.01 0.20 0.15 0.00 0.00 0.00 0.00 60.65 61.00 1grb s ILE 154 Cb -0.14 -3.54 0.42 0.00 0.01 0.00 0.00 42.46 39.21 1grb s ILE 154 CO 0.02 0.25 0.98 0.00 0.00 0.00 0.00 174.94 176.20 1grb n ALA 155 N 4.99 2.50 1.92 9.38 0.00 0.10 -2.34 120.51 137.06 1grb n ALA 155 Ca -0.14 -2.78 0.16 0.00 0.00 0.00 0.00 53.44 50.68 1grb n ALA 155 Cb 0.52 -0.96 0.88 0.00 0.00 0.00 0.00 19.45 19.88 1grb n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1grb n THR 156 N -0.06 0.00 -4.71 0.00 -2.24 -1.20 -4.39 114.28 101.69 1grb n THR 156 Ca 0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1grb n THR 156 Cb 0.78 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1grb n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1grb n GLY 157 N 1.03 0.52 0.00 3.38 0.00 -1.26 -4.60 105.19 104.26 1grb n GLY 157 Ca 0.23 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1grb n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1grb n GLY 158 N 0.00 4.12 3.27 -0.02 0.00 -1.26 -1.12 105.19 110.18 1grb n GLY 158 Ca 0.00 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 1grb n GLY 158 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1grb s MET 159 N -1.40 1.07 0.38 1.61 -1.94 0.63 -4.77 119.30 114.89 1grb s MET 159 Ca 0.00 -1.25 -0.27 0.00 -1.71 0.00 0.00 55.69 52.46 1grb s MET 159 Cb 0.00 0.33 -0.09 0.00 2.01 0.00 0.00 34.83 37.08 1grb s MET 159 CO 0.00 -0.37 1.25 -2.14 -0.01 0.00 0.00 175.02 173.76 1grb s PRO 160 N -3.99 4.13 0.06 2.03 0.02 -1.26 0.10 135.00 136.10 1grb s PRO 160 Ca 0.19 2.06 -0.17 0.00 0.02 0.00 0.00 61.00 63.10 1grb s PRO 160 Cb 0.05 -2.84 -0.06 0.00 0.02 0.00 0.00 34.50 31.66 1grb s PRO 160 CO 0.00 -0.32 0.51 0.45 -0.33 0.00 0.00 177.00 177.31 1grb s SER 161 N -0.80 6.93 0.09 2.53 0.15 -0.41 -4.62 113.70 117.57 1grb s SER 161 Ca 0.54 1.12 0.05 0.00 0.70 0.00 0.00 55.95 58.36 1grb s SER 161 Cb -0.36 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1grb s SER 161 CO 0.46 0.26 -0.13 0.42 1.20 0.00 0.00 173.24 175.46 1grb s THR 162 N -1.17 1.10 0.52 6.45 -4.23 -1.26 -4.61 115.64 112.44 1grb s THR 162 Ca 0.29 -1.49 -0.20 0.00 -1.18 0.00 0.00 61.69 59.11 1grb s THR 162 Cb -0.18 -1.24 -0.07 0.00 1.34 0.00 0.00 72.50 72.35 1grb s THR 162 CO 0.17 -0.37 1.09 -2.84 -0.54 0.00 0.00 174.62 172.13 1grb s PRO 163 N -2.24 3.54 0.34 3.99 0.01 -1.26 -5.02 135.00 134.35 1grb s PRO 163 Ca 0.02 1.51 -0.26 0.00 0.01 0.00 0.00 61.00 62.28 1grb s PRO 163 Cb -0.07 -2.04 -0.10 0.00 0.01 0.00 0.00 34.50 32.30 1grb s PRO 163 CO 0.02 -0.68 0.97 -1.01 0.01 0.00 0.00 177.00 176.31 1grb s HIS 164 N -1.86 3.60 0.52 6.54 3.76 -1.26 -4.71 115.29 121.88 1grb s HIS 164 Ca 0.70 1.75 0.17 0.00 -0.15 0.00 0.00 55.06 57.53 1grb s HIS 164 Cb -0.21 -2.97 1.27 0.00 1.11 0.00 0.00 32.58 31.78 1grb s HIS 164 CO 0.24 0.03 2.14 1.49 -0.85 0.00 0.00 174.74 177.79 1grb h GLU 165 N 3.04 0.00 -0.48 1.40 4.57 -1.96 0.13 114.58 121.27 1grb h GLU 165 Ca -0.47 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1grb h GLU 165 Cb 1.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1grb h GLU 165 CO 0.64 0.02 0.10 0.66 -1.18 0.00 0.00 179.01 179.26 1grb h SER 166 N 0.00 0.68 0.14 1.04 4.64 -1.99 -2.95 113.55 115.11 1grb h SER 166 Ca -0.00 -0.12 -0.36 0.00 -0.47 0.00 0.00 61.79 60.84 1grb h SER 166 Cb 0.04 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1grb h SER 166 CO 0.00 0.69 -2.00 0.00 -0.87 0.00 0.00 176.83 174.65 1grb n GLN 167 N -4.29 0.75 -3.73 4.77 10.64 -0.68 -4.76 117.38 120.08 1grb n GLN 167 Ca 0.03 0.26 -0.30 0.00 -1.83 0.00 0.00 57.00 55.16 1grb n GLN 167 Cb 0.22 -1.71 -0.14 0.00 -0.86 0.00 0.00 30.24 27.75 1grb n GLN 167 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1grb s ILE 168 N -2.56 1.12 0.26 -0.39 1.01 -0.05 -4.97 121.20 115.61 1grb s ILE 168 Ca -0.22 -1.89 -0.31 0.00 0.00 0.00 0.00 60.65 58.24 1grb s ILE 168 Cb 0.07 -1.82 -0.11 0.00 0.01 0.00 0.00 42.46 40.60 1grb s ILE 168 CO 0.77 -0.76 1.61 -2.84 0.00 0.00 0.00 174.94 173.72 1grb s PRO 169 N 1.09 4.14 0.00 2.79 0.02 -1.12 -1.35 135.00 140.58 1grb s PRO 169 Ca 0.13 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1grb s PRO 169 Cb -0.20 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1grb s PRO 169 CO -0.14 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1grb n GLY 170 N 2.77 0.61 0.27 0.52 0.00 -1.26 -0.85 105.19 107.25 1grb n GLY 170 Ca 0.11 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1grb n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grb h ALA 171 N 0.00 1.95 0.00 4.61 0.00 -1.51 -1.78 119.26 122.53 1grb h ALA 171 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1grb h ALA 171 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1grb h ALA 171 CO 0.00 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1grb n SER 172 N -4.53 0.00 0.03 0.00 3.41 -1.26 -1.80 113.62 109.47 1grb n SER 172 Ca -0.02 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1grb n SER 172 Cb 0.09 -0.22 0.46 0.00 -0.26 0.00 0.00 64.21 64.28 1grb n SER 172 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1grb n LEU 173 N -1.22 0.32 -4.94 1.04 4.77 -0.67 -4.86 117.00 111.44 1grb n LEU 173 Ca 0.08 0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 56.22 1grb n LEU 173 Cb 0.11 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1grb n LEU 173 CO 0.11 -0.02 0.29 -0.83 -1.33 0.00 0.00 177.39 175.61 1grb s GLY 174 N -3.18 1.50 0.46 -0.72 0.00 -0.75 -4.72 107.32 99.91 1grb s GLY 174 Ca 0.12 -0.93 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1grb s GLY 174 CO 0.59 -0.78 0.29 -0.26 0.00 0.00 0.00 173.10 172.94 1grb s ILE 175 N -2.54 2.14 0.45 0.90 -4.36 0.14 -4.93 121.20 113.00 1grb s ILE 175 Ca 0.46 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 1grb s ILE 175 Cb -0.10 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1grb s ILE 175 CO 0.39 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.92 1grb n THR 176 N -1.47 0.00 0.13 8.37 -2.24 -1.26 -0.53 114.28 117.28 1grb n THR 176 Ca -0.01 -2.10 0.17 0.00 -2.27 0.00 0.00 64.05 59.84 1grb n THR 176 Cb 0.64 0.42 0.74 0.00 -2.10 0.00 0.00 70.33 70.02 1grb n THR 176 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1grb h SER 177 N 1.06 0.00 -0.42 3.42 4.64 -1.97 0.39 113.55 120.67 1grb h SER 177 Ca -0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1grb h SER 177 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1grb h SER 177 CO 0.61 0.00 0.17 0.44 -0.87 0.00 0.00 176.83 177.18 1grb h ASP 178 N 0.00 0.58 0.80 4.97 5.19 -1.95 -2.30 116.42 123.72 1grb h ASP 178 Ca 0.14 -0.17 -0.07 0.00 -0.62 0.00 0.00 57.03 56.31 1grb h ASP 178 Cb 0.62 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1grb h ASP 178 CO -0.00 0.59 -0.33 1.23 -3.12 0.00 0.00 179.24 177.61 1grb h GLY 179 N 0.54 0.00 1.29 2.75 0.00 -1.36 -2.86 103.07 103.42 1grb h GLY 179 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1grb h GLY 179 CO -0.01 0.00 0.44 -2.75 0.00 0.00 0.00 176.54 174.22 1grb h PHE 180 N 0.00 0.91 0.00 5.60 3.04 -0.56 -1.25 116.94 124.68 1grb h PHE 180 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1grb h PHE 180 Cb 0.81 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1grb h PHE 180 CO 0.00 0.60 0.00 1.19 -2.02 0.00 0.00 178.31 178.08 1grb n PHE 181 N -4.40 0.00 0.81 0.41 3.72 -1.08 -2.59 117.46 114.32 1grb n PHE 181 Ca 0.07 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.57 1grb n PHE 181 Cb 0.06 -0.30 -0.12 0.00 -0.94 0.00 0.00 39.48 38.18 1grb n PHE 181 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1grb n GLN 182 N -1.30 0.49 -1.73 -1.08 6.02 -0.49 -5.00 117.38 114.30 1grb n GLN 182 Ca 0.12 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 1grb n GLN 182 Cb 0.21 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1grb n GLN 182 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1grb n LEU 183 N -1.57 4.23 -0.00 1.08 4.77 -1.07 -4.90 117.00 119.54 1grb n LEU 183 Ca 0.03 1.18 0.06 0.00 -0.03 0.00 0.00 56.01 57.24 1grb n LEU 183 Cb 0.34 -1.54 -0.08 0.00 -2.33 0.00 0.00 43.42 39.80 1grb n LEU 183 CO 0.40 -0.30 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.27 1grb n GLU 184 N 0.29 1.89 -4.11 3.23 1.02 -1.26 -4.99 120.64 116.71 1grb n GLU 184 Ca 0.04 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 1grb n GLU 184 Cb 0.38 -1.18 -0.11 0.00 -0.02 0.00 0.00 31.44 30.52 1grb n GLU 184 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1grb s GLU 185 N -2.46 0.67 -0.11 3.49 0.41 -1.26 -4.17 118.70 115.27 1grb s GLU 185 Ca 0.01 -1.05 -0.30 0.00 -0.41 0.00 0.00 54.97 53.22 1grb s GLU 185 Cb 0.09 -0.20 -0.03 0.00 -1.78 0.00 0.00 34.13 32.21 1grb s GLU 185 CO 0.52 0.00 1.39 -1.17 -0.49 0.00 0.00 175.26 175.52 1grb s LEU 186 N -2.35 4.25 0.36 1.80 2.96 -1.26 -4.96 118.68 119.48 1grb s LEU 186 Ca 0.01 1.91 -0.28 0.00 -0.22 0.00 0.00 54.13 55.55 1grb s LEU 186 Cb -0.02 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.03 1grb s LEU 186 CO -0.03 -0.79 1.41 -2.16 -1.32 0.00 0.00 176.35 173.46 1grb s PRO 187 N 3.44 4.20 0.01 0.98 0.04 -1.26 -4.93 135.00 137.47 1grb s PRO 187 Ca 0.61 2.42 -0.25 0.00 0.04 0.00 0.00 61.00 63.82 1grb s PRO 187 Cb -0.27 -3.00 -0.18 0.00 0.04 0.00 0.00 34.50 31.09 1grb s PRO 187 CO 0.21 -0.40 1.36 0.78 0.04 0.00 0.00 177.00 178.99 1grb h GLY 188 N 3.13 0.06 -6.17 0.56 0.00 -1.94 -3.40 103.07 95.31 1grb h GLY 188 Ca -0.50 -0.05 -0.56 0.00 0.00 0.00 0.00 47.33 46.22 1grb h GLY 188 CO 0.65 0.04 -0.82 -1.60 0.00 0.00 0.00 176.54 174.81 1grb s ARG 189 N -4.59 1.97 0.05 4.80 6.06 -1.26 -1.24 118.95 124.74 1grb s ARG 189 Ca -0.15 -0.46 0.04 0.00 -2.50 0.00 0.00 55.73 52.66 1grb s ARG 189 Cb 0.03 -1.76 -0.02 0.00 0.06 0.00 0.00 34.95 33.25 1grb s ARG 189 CO 0.68 -0.12 -0.13 -1.54 -2.50 0.00 0.00 175.30 171.69 1grb s SER 190 N 1.17 1.50 -0.10 -2.12 1.04 0.08 -1.37 113.70 113.89 1grb s SER 190 Ca -0.04 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1grb s SER 190 Cb -0.14 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 65.93 1grb s SER 190 CO -0.04 -0.03 -0.14 -0.69 0.98 0.00 0.00 173.24 173.33 1grb s VAL 191 N -1.01 1.37 -0.15 5.02 1.01 0.26 -1.53 120.40 125.38 1grb s VAL 191 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1grb s VAL 191 Cb -0.08 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1grb s VAL 191 CO 0.01 0.42 -0.09 -0.63 0.00 0.00 0.00 175.10 174.81 1grb s ILE 192 N 1.05 3.41 -0.22 2.22 1.01 0.57 -0.64 121.20 128.61 1grb s ILE 192 Ca -0.06 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 1grb s ILE 192 Cb -0.15 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1grb s ILE 192 CO -0.02 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 174.76 1grb s VAL 193 N 0.43 4.06 0.00 2.92 1.01 0.11 0.10 120.40 129.02 1grb s VAL 193 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1grb s VAL 193 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1grb s VAL 193 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1grb n GLY 194 N 4.53 3.61 0.92 4.51 0.00 -0.79 -0.20 105.19 117.78 1grb n GLY 194 Ca -0.17 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.14 1grb n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grb n ALA 195 N -1.62 2.65 -2.45 4.61 0.00 -1.26 -4.61 120.51 117.83 1grb n ALA 195 Ca 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.03 1grb n ALA 195 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1grb n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grb n GLY 196 N -0.25 3.77 0.39 0.00 0.00 -1.26 -1.02 105.19 106.82 1grb n GLY 196 Ca 0.10 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 1grb n GLY 196 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1grb h TYR 197 N 0.00 -0.98 -0.76 1.61 -1.99 -1.97 -2.02 116.97 110.86 1grb h TYR 197 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 1grb h TYR 197 Cb 0.00 0.37 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 1grb h TYR 197 CO 0.00 -0.52 0.31 0.82 -0.00 0.00 0.00 178.16 178.77 1grb h ILE 198 N -0.79 1.25 -0.09 -2.88 2.04 -1.96 -0.28 117.51 114.81 1grb h ILE 198 Ca -0.04 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1grb h ILE 198 Cb 0.69 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1grb h ILE 198 CO -0.03 0.32 0.06 0.00 0.00 0.00 0.00 178.15 178.50 1grb h ALA 199 N 1.23 0.11 -0.62 1.87 0.00 -1.77 0.24 119.26 120.32 1grb h ALA 199 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1grb h ALA 199 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1grb h ALA 199 CO -0.02 -0.38 0.09 0.28 0.00 0.00 0.00 179.25 179.21 1grb h VAL 200 N 0.10 1.26 0.01 0.00 2.07 -1.09 -0.47 116.25 118.14 1grb h VAL 200 Ca 0.03 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1grb h VAL 200 Cb 0.01 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1grb h VAL 200 CO -0.01 0.38 -0.00 -0.33 0.02 0.00 0.00 177.57 177.63 1grb h GLU 201 N 0.95 -0.01 -0.53 1.57 5.08 -0.71 -1.87 114.58 119.06 1grb h GLU 201 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1grb h GLU 201 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1grb h GLU 201 CO 0.01 0.39 -0.13 0.52 -1.00 0.00 0.00 179.01 178.80 1grb h MET 202 N -0.41 1.01 -0.58 2.33 2.86 -0.50 -1.82 114.93 117.82 1grb h MET 202 Ca -0.00 -0.39 0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1grb h MET 202 Cb 0.40 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1grb h MET 202 CO 0.00 1.07 0.38 0.00 1.06 0.00 0.00 176.91 179.42 1grb h ALA 203 N 0.94 0.74 -0.78 6.32 0.00 -1.08 -1.18 119.26 124.22 1grb h ALA 203 Ca 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1grb h ALA 203 Cb 0.70 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1grb h ALA 203 CO 0.05 0.16 0.35 0.78 0.00 0.00 0.00 179.25 180.60 1grb h GLY 204 N 0.78 1.22 0.53 0.00 0.00 -1.09 -1.74 103.07 102.77 1grb h GLY 204 Ca 0.22 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1grb h GLY 204 CO -0.05 0.59 -0.04 -2.22 0.00 0.00 0.00 176.54 174.81 1grb h ILE 205 N 1.12 1.14 -0.28 2.60 2.04 -1.13 -2.59 117.51 120.42 1grb h ILE 205 Ca 0.27 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1grb h ILE 205 Cb 0.15 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1grb h ILE 205 CO -0.03 0.24 0.11 -0.07 0.00 0.00 0.00 178.15 178.40 1grb h LEU 206 N -0.60 0.13 0.08 1.44 3.38 -1.22 -2.03 115.31 116.49 1grb h LEU 206 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1grb h LEU 206 Cb 0.49 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1grb h LEU 206 CO 0.02 0.11 -0.07 -1.28 0.09 0.00 0.00 178.44 177.31 1grb h SER 207 N 0.24 -0.18 -0.27 -0.43 0.87 -1.42 -1.05 113.55 111.30 1grb h SER 207 Ca 0.12 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1grb h SER 207 Cb 0.08 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1grb h SER 207 CO -0.11 -0.11 0.16 0.00 -0.53 0.00 0.00 176.83 176.24 1grb h ALA 208 N 0.75 1.77 -0.00 6.23 0.00 -1.24 -1.87 119.26 124.90 1grb h ALA 208 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1grb h ALA 208 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1grb h ALA 208 CO -0.01 0.21 -0.02 1.28 0.00 0.00 0.00 179.25 180.71 1grb n LEU 209 N -4.48 0.29 0.00 0.00 4.77 -0.78 -4.82 117.00 111.98 1grb n LEU 209 Ca 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1grb n LEU 209 Cb 0.08 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1grb n LEU 209 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1grb n GLY 210 N 1.11 0.72 3.77 -0.72 0.00 -0.70 -4.85 105.19 104.52 1grb n GLY 210 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1grb n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1grb s SER 211 N -1.75 7.12 -0.63 1.61 0.15 -0.44 -4.96 113.70 114.81 1grb s SER 211 Ca 0.00 2.02 -0.25 0.00 0.70 0.00 0.00 55.95 58.42 1grb s SER 211 Cb 0.00 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1grb s SER 211 CO 0.00 -0.23 1.08 -0.75 1.20 0.00 0.00 173.24 174.54 1grb s LYS 212 N -2.02 3.27 -0.12 5.44 2.20 -0.37 -4.27 119.74 123.86 1grb s LYS 212 Ca 0.51 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.77 1grb s LYS 212 Cb -0.23 -4.13 -0.03 0.00 -1.51 0.00 0.00 37.83 31.93 1grb s LYS 212 CO 0.30 -1.78 0.01 0.99 -0.36 0.00 0.00 175.35 174.51 1grb s THR 213 N 4.62 4.38 -0.04 3.43 2.01 -1.26 -0.74 115.64 128.03 1grb s THR 213 Ca 0.32 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1grb s THR 213 Cb -0.12 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 1grb s THR 213 CO 0.17 0.56 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.97 1grb s SER 214 N -0.40 3.00 -0.23 3.53 0.01 -0.58 -1.64 113.70 117.39 1grb s SER 214 Ca 0.08 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 1grb s SER 214 Cb -0.12 -0.67 0.01 0.00 0.21 0.00 0.00 66.02 65.45 1grb s SER 214 CO 0.02 0.26 -0.07 -0.22 0.41 0.00 0.00 173.24 173.64 1grb s LEU 215 N -0.29 2.92 -0.36 2.44 2.96 0.06 -0.31 118.68 126.09 1grb s LEU 215 Ca 0.01 -0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 53.19 1grb s LEU 215 Cb -0.12 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1grb s LEU 215 CO 0.02 -0.06 0.22 -0.32 -1.32 0.00 0.00 176.35 174.89 1grb s MET 216 N 1.40 3.14 0.06 1.98 -2.45 0.11 -0.30 119.30 123.24 1grb s MET 216 Ca 0.04 -0.88 0.09 0.00 -1.25 0.00 0.00 55.69 53.69 1grb s MET 216 Cb -0.15 -3.76 -0.03 0.00 1.25 0.00 0.00 34.83 32.14 1grb s MET 216 CO -0.05 -0.58 -0.25 0.96 1.05 0.00 0.00 175.02 176.15 1grb s ILE 217 N 1.63 2.01 -0.01 10.11 -4.36 -0.91 -1.88 121.20 127.79 1grb s ILE 217 Ca 0.04 -1.40 0.31 0.00 -0.26 0.00 0.00 60.65 59.34 1grb s ILE 217 Cb -0.18 -1.74 0.37 0.00 1.25 0.00 0.00 42.46 42.16 1grb s ILE 217 CO 0.08 0.26 1.89 0.03 0.24 0.00 0.00 174.94 177.44 1grb h ARG 218 N 4.64 0.00 0.00 0.37 3.08 -1.86 -1.24 114.38 119.37 1grb h ARG 218 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1grb h ARG 218 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1grb h ARG 218 CO 0.43 0.02 0.00 0.72 -1.07 0.00 0.00 179.97 180.07 1grb n HIS 219 N -3.12 0.00 0.50 3.04 8.25 -1.26 -3.93 115.22 118.70 1grb n HIS 219 Ca 0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 1grb n HIS 219 Cb 0.37 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 1grb n HIS 219 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1grb n ASP 220 N 0.00 0.54 -4.01 0.41 5.75 -1.26 -0.55 116.55 117.43 1grb n ASP 220 Ca 0.00 -0.74 -0.08 0.00 -0.01 0.00 0.00 54.79 53.95 1grb n ASP 220 Cb 0.00 1.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.99 1grb n ASP 220 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1grb s LYS 221 N -2.03 0.46 0.49 0.11 1.02 -1.26 -4.97 119.74 113.55 1grb s LYS 221 Ca 0.04 -0.84 -0.03 0.00 0.02 0.00 0.00 55.97 55.16 1grb s LYS 221 Cb 0.08 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.54 1grb s LYS 221 CO 0.45 -0.09 0.76 0.14 -0.92 0.00 0.00 175.35 175.69 1grb s VAL 222 N -2.49 4.38 -1.27 3.17 -7.23 -1.26 -4.52 120.40 111.17 1grb s VAL 222 Ca -0.06 -0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.95 1grb s VAL 222 Cb -0.02 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 1grb s VAL 222 CO -0.05 -0.59 0.69 0.18 -0.31 0.00 0.00 175.10 175.03 1grb n LEU 223 N -2.24 -3.11 0.11 1.32 4.77 -0.19 -4.53 117.00 113.13 1grb n LEU 223 Ca 0.01 -0.88 0.11 0.00 -0.03 0.00 0.00 56.01 55.22 1grb n LEU 223 Cb 0.57 -2.58 0.47 0.00 -2.33 0.00 0.00 43.42 39.54 1grb n LEU 223 CO 0.51 0.40 0.84 0.54 -1.33 0.00 0.00 177.39 178.35 1grb n ARG 224 N -4.19 0.17 0.00 3.23 1.74 -1.26 -2.08 116.66 114.27 1grb n ARG 224 Ca -0.24 0.40 0.13 0.00 -0.77 0.00 0.00 57.85 57.37 1grb n ARG 224 Cb 0.66 -1.83 0.44 0.00 -1.02 0.00 0.00 32.46 30.72 1grb n ARG 224 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1grb n SER 225 N -2.15 1.03 -4.94 0.55 3.41 -1.26 -4.87 113.62 105.39 1grb n SER 225 Ca 0.02 -0.97 -0.25 0.00 -0.26 0.00 0.00 58.87 57.42 1grb n SER 225 Cb 0.23 0.08 0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1grb n SER 225 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1grb s PHE 226 N -2.39 2.95 0.41 7.33 0.40 -0.88 -5.00 117.98 120.80 1grb s PHE 226 Ca 0.28 0.36 -0.25 0.00 -0.60 0.00 0.00 56.93 56.72 1grb s PHE 226 Cb 0.20 -3.02 -0.11 0.00 0.51 0.00 0.00 43.02 40.60 1grb s PHE 226 CO 0.48 -1.19 1.10 -3.47 0.70 0.00 0.00 175.22 172.83 1grb n ASP 227 N -2.73 1.70 0.29 1.36 2.03 -1.26 -4.69 116.55 113.25 1grb n ASP 227 Ca 0.07 1.07 0.14 0.00 0.52 0.00 0.00 54.79 56.59 1grb n ASP 227 Cb 0.60 -1.40 0.87 0.00 -0.72 0.00 0.00 41.12 40.47 1grb n ASP 227 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1grb h SER 228 N 1.76 0.00 -0.81 1.67 4.64 -1.93 -0.77 113.55 118.11 1grb h SER 228 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1grb h SER 228 Cb 1.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.38 1grb h SER 228 CO 0.58 0.00 0.37 -0.03 -0.87 0.00 0.00 176.83 176.88 1grb h MET 229 N 0.00 1.19 -0.14 4.77 -1.53 -2.00 -1.74 114.93 115.49 1grb h MET 229 Ca 0.00 -0.19 -0.08 0.00 -3.44 0.00 0.00 59.70 55.99 1grb h MET 229 Cb 0.00 -0.21 -0.00 0.00 -0.55 0.00 0.00 31.60 30.85 1grb h MET 229 CO -0.00 0.93 -0.23 0.82 0.14 0.00 0.00 176.91 178.58 1grb h ILE 230 N 1.17 1.36 -0.45 1.77 1.08 -1.51 -1.43 117.51 119.50 1grb h ILE 230 Ca 0.28 -1.46 -0.06 0.00 -0.39 0.00 0.00 64.86 63.22 1grb h ILE 230 Cb 0.16 1.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1grb h ILE 230 CO -0.03 0.43 0.03 0.77 -0.69 0.00 0.00 178.15 178.66 1grb h SER 231 N 0.01 0.67 0.22 1.72 4.64 -1.19 0.19 113.55 119.81 1grb h SER 231 Ca 0.01 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1grb h SER 231 Cb 0.80 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1grb h SER 231 CO 0.05 0.72 -0.11 0.74 -0.87 0.00 0.00 176.83 177.37 1grb h THR 232 N 0.68 0.85 -0.83 2.95 2.02 -1.34 -2.55 112.91 114.68 1grb h THR 232 Ca 0.14 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1grb h THR 232 Cb 0.37 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1grb h THR 232 CO 0.01 0.13 0.39 -1.13 0.37 0.00 0.00 175.52 175.30 1grb h ASN 233 N -0.62 1.09 -0.61 4.18 -1.24 -1.07 -2.35 115.58 114.96 1grb h ASN 233 Ca -0.03 -0.13 -0.07 0.00 0.71 0.00 0.00 56.30 56.78 1grb h ASN 233 Cb 0.45 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 1grb h ASN 233 CO 0.05 0.93 0.13 0.00 -1.29 0.00 0.00 177.43 177.24 1grb h THR 235 N 0.96 1.26 -0.51 0.00 2.02 -1.15 -1.93 112.91 113.57 1grb h THR 235 Ca 0.20 -1.08 -0.11 0.00 0.77 0.00 0.00 66.41 66.19 1grb h THR 235 Cb 0.38 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1grb h THR 235 CO 0.01 0.40 -0.11 -0.33 0.37 0.00 0.00 175.52 175.86 1grb h GLU 236 N 0.98 0.97 -0.68 6.66 5.08 -1.20 -2.53 114.58 123.85 1grb h GLU 236 Ca 0.19 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1grb h GLU 236 Cb 0.49 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1grb h GLU 236 CO 0.02 1.03 0.26 0.93 -1.00 0.00 0.00 179.01 180.25 1grb h GLU 237 N 0.83 1.00 -0.32 2.33 4.39 -0.89 0.09 114.58 122.01 1grb h GLU 237 Ca 0.13 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1grb h GLU 237 Cb 0.67 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1grb h GLU 237 CO 0.05 0.82 0.21 -0.07 -1.16 0.00 0.00 179.01 178.86 1grb h LEU 238 N 0.98 0.37 -0.53 1.33 3.38 -1.23 -1.40 115.31 118.21 1grb h LEU 238 Ca 0.23 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1grb h LEU 238 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1grb h LEU 238 CO -0.02 0.28 0.20 -0.33 0.09 0.00 0.00 178.44 178.65 1grb h GLU 239 N 0.43 0.80 0.00 1.13 5.08 -0.96 -1.78 114.58 119.28 1grb h GLU 239 Ca 0.12 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1grb h GLU 239 Cb -0.04 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1grb h GLU 239 CO -0.02 0.72 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.77 1grb h ASN 240 N 0.72 0.00 0.00 1.42 2.35 -0.78 -2.16 115.58 117.14 1grb h ASN 240 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1grb h ASN 240 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1grb h ASN 240 CO -0.01 0.02 -0.03 0.00 -1.65 0.00 0.00 177.43 175.76 1grb n ALA 241 N -2.20 2.62 0.00 -0.83 0.00 -0.55 -4.94 120.51 114.61 1grb n ALA 241 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1grb n ALA 241 Cb 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1grb n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1grb n GLY 242 N 1.23 0.89 3.70 0.00 0.00 -0.81 -4.87 105.19 105.33 1grb n GLY 242 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1grb n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1grb s VAL 243 N -2.00 4.91 -0.39 1.61 1.01 -0.74 -4.72 120.40 120.07 1grb s VAL 243 Ca 0.00 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.52 1grb s VAL 243 Cb 0.00 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1grb s VAL 243 CO 0.00 0.13 0.89 -0.70 0.00 0.00 0.00 175.10 175.41 1grb s GLU 244 N 1.39 3.73 -0.33 2.72 2.12 -0.65 -4.11 118.70 123.56 1grb s GLU 244 Ca 0.44 0.38 -0.17 0.00 0.36 0.00 0.00 54.97 55.99 1grb s GLU 244 Cb -0.19 -3.84 -0.01 0.00 0.26 0.00 0.00 34.13 30.35 1grb s GLU 244 CO 0.20 -1.00 0.44 0.08 -0.54 0.00 0.00 175.26 174.44 1grb s VAL 245 N 3.45 5.10 -0.73 3.70 1.01 -1.26 -0.76 120.40 130.91 1grb s VAL 245 Ca 0.36 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.47 1grb s VAL 245 Cb -0.12 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.51 1grb s VAL 245 CO 0.20 -0.08 0.93 -0.76 0.00 0.00 0.00 175.10 175.39 1grb s LEU 246 N 2.20 4.96 0.56 3.92 1.43 0.59 -4.96 118.68 127.38 1grb s LEU 246 Ca 0.16 -1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 51.62 1grb s LEU 246 Cb -0.16 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 1grb s LEU 246 CO 0.12 -1.21 1.01 -0.54 0.23 0.00 0.00 176.35 175.96 1grb s LYS 247 N 3.12 3.74 -1.52 1.70 1.02 -1.26 -2.15 119.74 124.39 1grb s LYS 247 Ca 0.22 0.92 -0.14 0.00 0.02 0.00 0.00 55.97 56.99 1grb s LYS 247 Cb -0.15 -2.10 0.11 0.00 -0.52 0.00 0.00 37.83 35.16 1grb s LYS 247 CO 0.03 -0.45 0.77 1.19 -0.92 0.00 0.00 175.35 175.97 1grb n PHE 248 N -2.02 -1.96 -4.30 3.18 3.72 0.29 -4.72 117.46 111.64 1grb n PHE 248 Ca 0.07 0.73 -0.21 0.00 -0.05 0.00 0.00 57.45 57.99 1grb n PHE 248 Cb 0.54 -3.34 -0.12 0.00 -0.94 0.00 0.00 39.48 35.62 1grb n PHE 248 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1grb s SER 249 N -3.10 2.49 0.03 4.37 0.01 -0.52 -0.89 113.70 116.09 1grb s SER 249 Ca 0.61 -0.80 -0.17 0.00 1.31 0.00 0.00 55.95 56.89 1grb s SER 249 Cb -0.32 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 65.81 1grb s SER 249 CO 0.75 -0.03 0.39 0.00 0.41 0.00 0.00 173.24 174.75 1grb s GLN 250 N -2.53 0.86 0.13 12.44 -2.07 -0.64 -3.73 119.66 124.13 1grb s GLN 250 Ca 0.12 -0.33 -0.30 0.00 -1.82 0.00 0.00 55.36 53.03 1grb s GLN 250 Cb -0.07 0.38 -0.07 0.00 -1.09 0.00 0.00 33.01 32.17 1grb s GLN 250 CO 0.05 -0.28 1.12 0.08 -1.32 0.00 0.00 175.29 174.94 1grb s VAL 251 N -2.23 3.98 -0.16 3.63 1.01 -1.26 -1.59 120.40 123.79 1grb s VAL 251 Ca -0.07 1.59 0.11 0.00 0.00 0.00 0.00 61.98 63.61 1grb s VAL 251 Cb -0.02 -4.02 -0.17 0.00 0.00 0.00 0.00 36.38 32.18 1grb s VAL 251 CO -0.01 0.22 0.01 1.17 0.00 0.00 0.00 175.10 176.49 1grb n LYS 252 N 2.95 1.34 -3.58 2.72 4.81 0.11 -4.92 118.16 121.60 1grb n LYS 252 Ca 0.05 0.02 -0.06 0.00 -0.87 0.00 0.00 58.31 57.45 1grb n LYS 252 Cb 0.47 -1.38 -0.03 0.00 0.02 0.00 0.00 35.03 34.11 1grb n LYS 252 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1grb s GLU 253 N -2.37 0.45 -0.01 1.64 -1.05 -1.14 -4.29 118.70 111.94 1grb s GLU 253 Ca -0.11 -0.10 0.04 0.00 -0.15 0.00 0.00 54.97 54.64 1grb s GLU 253 Cb 0.05 0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 1grb s GLU 253 CO 0.58 -0.18 -0.13 0.08 0.95 0.00 0.00 175.26 176.55 1grb s VAL 254 N -2.24 1.04 0.01 1.83 1.01 -0.03 -1.07 120.40 120.94 1grb s VAL 254 Ca 0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1grb s VAL 254 Cb -0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1grb s VAL 254 CO -0.05 0.28 0.10 -1.59 0.00 0.00 0.00 175.10 173.84 1grb s LYS 255 N -0.34 0.45 -0.62 2.72 -2.85 -0.71 -4.05 119.74 114.34 1grb s LYS 255 Ca 0.05 -0.47 -0.23 0.00 -1.00 0.00 0.00 55.97 54.31 1grb s LYS 255 Cb -0.05 0.18 0.06 0.00 -2.06 0.00 0.00 37.83 35.96 1grb s LYS 255 CO -0.00 -0.10 0.96 0.21 0.10 0.00 0.00 175.35 176.51 1grb s LYS 256 N -1.49 3.19 0.03 1.78 2.47 -1.26 -0.30 119.74 124.17 1grb s LYS 256 Ca -0.14 -0.61 -0.00 0.00 -1.56 0.00 0.00 55.97 53.65 1grb s LYS 256 Cb -0.08 -4.16 0.01 0.00 -1.46 0.00 0.00 37.83 32.14 1grb s LYS 256 CO 0.01 -1.69 0.05 0.25 0.16 0.00 0.00 175.35 174.12 1grb n THR 257 N 6.02 0.00 -0.25 3.43 -2.24 -0.05 -4.99 114.28 116.20 1grb n THR 257 Ca -0.02 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 1grb n THR 257 Cb 0.46 -1.41 0.20 0.00 -2.10 0.00 0.00 70.33 67.48 1grb n THR 257 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1grb h LEU 258 N 0.00 0.94 -6.33 3.22 3.38 -1.98 -3.34 115.31 111.19 1grb h LEU 258 Ca -0.02 -0.05 -0.56 0.00 0.09 0.00 0.00 57.88 57.34 1grb h LEU 258 Cb 0.06 -0.24 -0.37 0.00 0.09 0.00 0.00 40.66 40.20 1grb h LEU 258 CO 0.02 0.71 -0.94 -0.44 0.09 0.00 0.00 178.44 177.88 1grb s SER 259 N -6.33 1.47 0.00 -0.43 0.01 -1.26 -5.10 113.70 102.06 1grb s SER 259 Ca -0.11 -2.86 0.00 0.00 1.31 0.00 0.00 55.95 54.28 1grb s SER 259 Cb 0.17 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1grb s SER 259 CO 0.80 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.87 1grb n GLY 260 N 3.03 -1.30 3.87 3.44 0.00 -1.25 -4.38 105.19 108.59 1grb n GLY 260 Ca 0.27 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1grb n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1grb s LEU 261 N 0.00 3.97 -0.10 0.99 1.43 0.17 -0.87 118.68 124.27 1grb s LEU 261 Ca 0.00 -0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1grb s LEU 261 Cb 0.00 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1grb s LEU 261 CO 0.00 -0.05 -0.07 -0.70 0.23 0.00 0.00 176.35 175.76 1grb s GLU 262 N -3.89 1.42 -0.21 1.70 2.12 0.60 -0.76 118.70 119.68 1grb s GLU 262 Ca 0.33 -0.23 -0.07 0.00 0.36 0.00 0.00 54.97 55.37 1grb s GLU 262 Cb -0.08 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.80 1grb s GLU 262 CO 0.26 -0.23 0.06 0.08 -0.54 0.00 0.00 175.26 174.89 1grb s VAL 263 N 1.58 4.52 -0.22 3.70 1.01 0.26 -1.74 120.40 129.51 1grb s VAL 263 Ca 0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1grb s VAL 263 Cb -0.13 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1grb s VAL 263 CO -0.06 0.41 0.31 -0.44 0.00 0.00 0.00 175.10 175.32 1grb s SER 264 N 0.91 6.30 0.14 3.32 0.01 -0.23 0.12 113.70 124.28 1grb s SER 264 Ca 0.03 0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.71 1grb s SER 264 Cb -0.14 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1grb s SER 264 CO 0.03 -0.04 -0.14 0.00 0.41 0.00 0.00 173.24 173.50 1grb s MET 265 N 1.32 1.10 -0.14 12.44 0.23 0.63 0.10 119.30 134.98 1grb s MET 265 Ca 0.15 -1.35 0.00 0.00 -1.03 0.00 0.00 55.69 53.45 1grb s MET 265 Cb -0.14 -0.93 -0.01 0.00 -1.53 0.00 0.00 34.83 32.22 1grb s MET 265 CO 0.07 0.17 -0.14 0.08 -2.03 0.00 0.00 175.02 173.16 1grb s VAL 266 N -2.49 2.87 -0.21 5.16 1.01 -0.62 -0.44 120.40 125.68 1grb s VAL 266 Ca 0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1grb s VAL 266 Cb -0.03 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1grb s VAL 266 CO 0.04 0.52 -0.04 -0.89 0.00 0.00 0.00 175.10 174.73 1grb s THR 267 N 0.54 3.47 -0.56 3.92 2.01 0.16 -1.62 115.64 123.56 1grb s THR 267 Ca -0.09 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1grb s THR 267 Cb -0.16 -2.58 0.20 0.00 0.01 0.00 0.00 72.50 69.97 1grb s THR 267 CO 0.04 0.43 0.51 0.00 -0.69 0.00 0.00 174.62 174.90 1grb n ALA 268 N 4.65 3.24 -1.89 7.40 0.00 -0.07 -1.14 120.51 132.70 1grb n ALA 268 Ca -0.18 -4.00 -0.41 0.00 0.00 0.00 0.00 53.44 48.84 1grb n ALA 268 Cb 0.51 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1grb n ALA 268 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1grb s VAL 269 N -1.20 2.78 0.21 0.00 1.01 -1.26 -4.89 120.40 117.04 1grb s VAL 269 Ca 0.32 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1grb s VAL 269 Cb 0.05 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 1grb s VAL 269 CO -0.14 0.11 1.32 -2.84 0.00 0.00 0.00 175.10 173.55 1grb s PRO 270 N -0.45 4.38 0.00 2.72 0.02 -1.26 -2.21 135.00 138.21 1grb s PRO 270 Ca 0.58 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1grb s PRO 270 Cb -0.41 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1grb s PRO 270 CO 0.43 -0.25 0.00 0.41 -0.33 0.00 0.00 177.00 177.26 1grb n GLY 271 N 2.22 0.85 3.33 0.52 0.00 -1.26 -5.04 105.19 105.81 1grb n GLY 271 Ca 0.06 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1grb n GLY 271 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1grb s ARG 272 N -1.37 1.13 0.22 1.61 3.52 -0.94 -5.13 118.95 117.99 1grb s ARG 272 Ca 0.00 -1.15 -0.20 0.00 -0.13 0.00 0.00 55.73 54.25 1grb s ARG 272 Cb 0.00 0.38 -0.08 0.00 -1.56 0.00 0.00 34.95 33.68 1grb s ARG 272 CO 0.00 -0.41 0.74 -0.51 -0.81 0.00 0.00 175.30 174.31 1grb s LEU 273 N -2.96 4.37 0.58 -0.88 1.43 -1.26 -4.72 118.68 115.24 1grb s LEU 273 Ca 0.16 1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 54.51 1grb s LEU 273 Cb 0.03 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1grb s LEU 273 CO -0.01 0.05 1.31 -2.16 0.23 0.00 0.00 176.35 175.76 1grb s PRO 274 N -1.89 2.99 -0.01 1.29 0.04 -1.26 -4.75 135.00 131.41 1grb s PRO 274 Ca 0.42 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.58 1grb s PRO 274 Cb -0.17 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1grb s PRO 274 CO 0.22 -1.27 -0.02 0.54 0.04 0.00 0.00 177.00 176.50 1grb s VAL 275 N -1.38 0.25 -0.15 -0.36 0.11 -0.30 -4.98 120.40 113.60 1grb s VAL 275 Ca 0.75 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.62 1grb s VAL 275 Cb -0.38 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 1grb s VAL 275 CO 0.43 0.10 0.20 -0.04 -3.33 0.00 0.00 175.10 172.45 1grb s MET 276 N 0.27 3.94 0.05 1.54 -1.94 -1.26 -0.67 119.30 121.23 1grb s MET 276 Ca -0.03 -0.06 0.04 0.00 -1.71 0.00 0.00 55.69 53.94 1grb s MET 276 Cb -0.05 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.43 1grb s MET 276 CO -0.01 0.48 -0.12 0.99 -0.01 0.00 0.00 175.02 176.36 1grb s THR 277 N -0.20 0.89 -0.10 2.05 2.01 0.42 -4.99 115.64 115.72 1grb s THR 277 Ca 0.14 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1grb s THR 277 Cb -0.12 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1grb s THR 277 CO 0.03 -0.19 -0.03 -0.32 -0.69 0.00 0.00 174.62 173.41 1grb s MET 278 N -1.42 3.08 -0.29 4.92 1.75 -1.26 -0.27 119.30 125.81 1grb s MET 278 Ca -0.03 -0.49 -0.03 0.00 -1.25 0.00 0.00 55.69 53.89 1grb s MET 278 Cb -0.09 -2.75 0.03 0.00 2.84 0.00 0.00 34.83 34.86 1grb s MET 278 CO 0.01 0.57 0.01 0.42 -0.65 0.00 0.00 175.02 175.38 1grb s ILE 279 N -0.53 3.25 0.32 10.11 1.01 0.32 -4.93 121.20 130.74 1grb s ILE 279 Ca 0.08 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1grb s ILE 279 Cb -0.12 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1grb s ILE 279 CO 0.02 0.02 0.48 -2.16 0.00 0.00 0.00 174.94 173.30 1grb s PRO 280 N 1.34 3.33 -1.32 2.79 0.04 -1.26 0.91 135.00 140.84 1grb s PRO 280 Ca -0.02 -0.66 -0.04 0.00 0.04 0.00 0.00 61.00 60.32 1grb s PRO 280 Cb -0.18 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.61 1grb s PRO 280 CO -0.01 0.18 0.97 -0.25 0.04 0.00 0.00 177.00 177.92 1grb n ASP 281 N -1.65 -3.31 -4.71 6.66 8.00 -0.98 -4.97 116.55 115.59 1grb n ASP 281 Ca -0.04 -0.68 -0.38 0.00 0.71 0.00 0.00 54.79 54.39 1grb n ASP 281 Cb 0.57 -4.64 -0.06 0.00 -0.02 0.00 0.00 41.12 36.97 1grb n ASP 281 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1grb s VAL 282 N -3.42 5.14 -0.10 2.53 1.01 0.06 -4.67 120.40 120.95 1grb s VAL 282 Ca 0.25 1.06 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 1grb s VAL 282 Cb -0.12 -3.87 -0.28 0.00 0.00 0.00 0.00 36.38 32.12 1grb s VAL 282 CO 0.77 0.28 0.50 0.44 0.00 0.00 0.00 175.10 177.09 1grb h ASP 283 N 6.86 0.46 -3.28 3.32 3.32 -1.54 0.52 116.42 126.09 1grb h ASP 283 Ca -0.40 -0.90 -0.49 0.00 0.02 0.00 0.00 57.03 55.26 1grb h ASP 283 Cb 1.18 -0.15 -0.36 0.00 0.22 0.00 0.00 39.33 40.22 1grb h ASP 283 CO 0.75 1.77 -0.79 0.00 -1.72 0.00 0.00 179.24 179.25 1grb s LEU 285 N 1.45 3.60 -0.24 0.00 2.96 -1.26 -0.57 118.68 124.62 1grb s LEU 285 Ca -0.01 -0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1grb s LEU 285 Cb -0.13 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.78 1grb s LEU 285 CO -0.04 -0.18 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.56 1grb s LEU 286 N 1.41 3.16 -0.32 -0.68 0.20 0.19 0.24 118.68 122.88 1grb s LEU 286 Ca 0.01 -0.63 -0.25 0.00 0.69 0.00 0.00 54.13 53.95 1grb s LEU 286 Cb -0.17 -1.73 0.01 0.00 -0.43 0.00 0.00 46.19 43.86 1grb s LEU 286 CO -0.01 -0.09 0.88 0.26 -0.29 0.00 0.00 176.35 177.10 1grb s TRP 287 N 1.42 3.18 -0.47 5.38 0.52 0.31 -0.71 118.94 128.56 1grb s TRP 287 Ca 0.03 0.90 0.09 0.00 0.02 0.00 0.00 56.10 57.14 1grb s TRP 287 Cb -0.16 -3.39 0.34 0.00 -1.15 0.00 0.00 33.47 29.12 1grb s TRP 287 CO -0.03 -0.65 0.82 0.00 0.02 0.00 0.00 176.95 177.11 1grb n ALA 288 N 6.44 3.26 -0.64 0.98 0.00 0.72 -4.37 120.51 126.90 1grb n ALA 288 Ca 0.06 -4.02 0.08 0.00 0.00 0.00 0.00 53.44 49.56 1grb n ALA 288 Cb 0.48 -0.84 0.26 0.00 0.00 0.00 0.00 19.45 19.35 1grb n ALA 288 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1grb n ILE 289 N 0.10 1.79 0.00 0.00 -5.35 -1.25 -4.26 119.36 110.39 1grb n ILE 289 Ca 0.28 -1.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.35 1grb n ILE 289 Cb 0.53 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1grb n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1grb n GLY 290 N 0.28 0.63 3.16 3.28 0.00 -1.26 -4.93 105.19 106.35 1grb n GLY 290 Ca 0.20 -2.30 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 1grb n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1grb s ARG 291 N -0.63 0.79 0.06 1.61 1.81 -1.26 -1.28 118.95 120.05 1grb s ARG 291 Ca 0.00 -1.07 0.07 0.00 -1.72 0.00 0.00 55.73 53.01 1grb s ARG 291 Cb 0.00 -0.52 -0.04 0.00 -0.45 0.00 0.00 34.95 33.94 1grb s ARG 291 CO 0.00 0.09 -0.16 0.54 -0.68 0.00 0.00 175.30 175.09 1grb s VAL 292 N -2.15 2.99 0.59 3.52 0.11 0.28 -4.81 120.40 120.93 1grb s VAL 292 Ca 0.02 -1.22 -0.17 0.00 -2.93 0.00 0.00 61.98 57.68 1grb s VAL 292 Cb -0.05 -2.31 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1grb s VAL 292 CO 0.00 0.26 1.09 -2.16 -3.33 0.00 0.00 175.10 170.96 1grb s PRO 293 N -1.70 3.22 -1.05 1.54 0.04 -1.26 -0.27 135.00 135.52 1grb s PRO 293 Ca 0.17 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 1grb s PRO 293 Cb -0.11 -2.01 0.26 0.00 0.04 0.00 0.00 34.50 32.69 1grb s PRO 293 CO 0.08 -0.91 1.03 1.21 0.04 0.00 0.00 177.00 178.45 1grb s ASN 294 N -2.41 7.07 0.00 6.66 3.84 -0.28 -4.55 114.94 125.27 1grb s ASN 294 Ca 0.67 -3.52 0.00 0.00 0.21 0.00 0.00 52.86 50.21 1grb s ASN 294 Cb -0.19 -2.16 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1grb s ASN 294 CO 0.34 -0.30 0.02 0.35 -2.79 0.00 0.00 177.10 174.72 1grb n THR 295 N 2.77 0.00 -0.17 -5.21 -2.24 -1.26 -4.76 114.28 103.41 1grb n THR 295 Ca 0.22 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1grb n THR 295 Cb 0.40 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 69.70 1grb n THR 295 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1grb h LYS 296 N 0.00 -0.08 -0.74 -0.78 3.11 -1.90 -2.56 116.57 113.62 1grb h LYS 296 Ca 0.00 0.01 -0.17 0.00 -2.81 0.00 0.00 60.65 57.68 1grb h LYS 296 Cb 0.02 0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 31.17 1grb h LYS 296 CO 0.00 -0.05 0.21 -0.25 -2.81 0.00 0.00 179.45 176.55 1grb n ASP 297 N -5.41 4.86 0.11 4.20 8.00 -1.26 -4.41 116.55 122.63 1grb n ASP 297 Ca 0.05 -3.10 0.12 0.00 0.71 0.00 0.00 54.79 52.57 1grb n ASP 297 Cb 0.32 -0.73 0.06 0.00 -0.02 0.00 0.00 41.12 40.75 1grb n ASP 297 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1grb h LEU 298 N 2.81 0.00 -0.78 0.64 3.38 -1.73 -3.44 115.31 116.19 1grb h LEU 298 Ca 0.21 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.86 1grb h LEU 298 Cb 2.20 0.00 0.09 0.00 0.09 0.00 0.00 40.66 43.04 1grb h LEU 298 CO 0.67 0.03 -0.45 -1.20 0.09 0.00 0.00 178.44 177.57 1grb n SER 299 N -2.60 -4.91 -0.27 -0.43 7.64 -1.26 -0.29 113.62 111.50 1grb n SER 299 Ca 0.01 -0.35 0.02 0.00 1.01 0.00 0.00 58.87 59.57 1grb n SER 299 Cb 0.52 -3.52 0.24 0.00 -1.01 0.00 0.00 64.21 60.44 1grb n SER 299 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1grb h LEU 300 N -1.74 0.90 -2.60 -3.43 3.38 -1.90 -1.49 115.31 108.42 1grb h LEU 300 Ca -0.38 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1grb h LEU 300 Cb 1.25 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1grb h LEU 300 CO 0.37 0.61 -0.00 -0.55 0.09 0.00 0.00 178.44 178.97 1grb h ASN 301 N 1.04 0.00 0.85 -0.43 -1.07 -1.91 -0.78 115.58 113.29 1grb h ASN 301 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.71 1grb h ASN 301 Cb 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 1grb h ASN 301 CO -0.11 0.00 0.00 0.11 0.07 0.00 0.00 177.43 177.50 1grb h LYS 302 N 0.00 0.00 -0.00 4.14 1.57 -1.62 -2.59 116.57 118.07 1grb h LYS 302 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1grb h LYS 302 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1grb h LYS 302 CO 0.00 0.00 -0.24 1.28 -0.57 0.00 0.00 179.45 179.92 1grb n LEU 303 N -2.72 0.71 -1.41 2.94 4.77 -0.40 -4.78 117.00 116.12 1grb n LEU 303 Ca 0.01 -0.64 -0.10 0.00 -0.03 0.00 0.00 56.01 55.25 1grb n LEU 303 Cb 0.26 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1grb n LEU 303 CO 0.24 0.15 -0.02 0.61 -1.33 0.00 0.00 177.39 177.04 1grb n GLY 304 N 0.96 0.11 3.73 -0.72 0.00 -0.60 -4.98 105.19 103.69 1grb n GLY 304 Ca 0.02 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1grb n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1grb s ILE 305 N -2.75 3.85 0.19 -0.61 1.01 -0.94 -4.90 121.20 117.06 1grb s ILE 305 Ca 0.11 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 1grb s ILE 305 Cb -0.05 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 1grb s ILE 305 CO 0.14 0.22 1.06 -1.10 0.00 0.00 0.00 174.94 175.25 1grb s GLN 306 N 0.03 4.65 0.15 2.79 -0.21 -1.26 -4.69 119.66 121.12 1grb s GLN 306 Ca 0.52 1.66 0.03 0.00 0.02 0.00 0.00 55.36 57.59 1grb s GLN 306 Cb -0.30 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.39 1grb s GLN 306 CO 0.34 0.18 -0.05 0.95 -2.12 0.00 0.00 175.29 174.58 1grb s THR 307 N -0.47 0.89 0.02 -0.19 -4.23 -1.26 -1.73 115.64 108.68 1grb s THR 307 Ca 0.47 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1grb s THR 307 Cb -0.28 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1grb s THR 307 CO 0.35 -0.65 0.03 -0.90 -0.54 0.00 0.00 174.62 172.90 1grb n ASP 308 N -0.20 0.02 0.00 3.99 5.68 0.11 -4.87 116.55 121.28 1grb n ASP 308 Ca -0.09 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.31 1grb n ASP 308 Cb 0.62 -0.02 0.65 0.00 -1.14 0.00 0.00 41.12 41.23 1grb n ASP 308 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1grb n ASP 309 N -3.01 0.00 -0.21 -1.12 5.68 -1.26 -2.20 116.55 114.44 1grb n ASP 309 Ca 0.00 0.12 0.13 0.00 -0.50 0.00 0.00 54.79 54.54 1grb n ASP 309 Cb 0.01 -0.36 0.36 0.00 -1.14 0.00 0.00 41.12 39.99 1grb n ASP 309 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1grb n LYS 310 N -1.36 0.71 0.00 0.11 4.76 -1.26 -4.92 118.16 116.19 1grb n LYS 310 Ca 0.11 -0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 1grb n LYS 310 Cb 0.25 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1grb n LYS 310 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1grb n GLY 311 N 1.36 0.70 3.78 0.72 0.00 -0.93 -4.49 105.19 106.34 1grb n GLY 311 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1grb n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1grb s HIS 312 N -2.00 3.04 0.02 1.61 3.76 -1.26 -4.62 115.29 115.84 1grb s HIS 312 Ca 0.00 1.59 -0.27 0.00 -0.15 0.00 0.00 55.06 56.22 1grb s HIS 312 Cb 0.00 -3.21 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 1grb s HIS 312 CO 0.00 -1.03 0.86 0.42 -0.85 0.00 0.00 174.74 174.15 1grb s ILE 313 N -1.68 4.80 -0.00 0.60 1.01 -0.91 -0.71 121.20 124.31 1grb s ILE 313 Ca 0.62 1.83 -0.27 0.00 0.00 0.00 0.00 60.65 62.83 1grb s ILE 313 Cb -0.23 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1grb s ILE 313 CO 0.29 0.26 0.85 -0.63 0.00 0.00 0.00 174.94 175.71 1grb s ILE 314 N 0.51 4.86 0.15 2.92 -1.09 -0.70 -4.49 121.20 123.37 1grb s ILE 314 Ca 0.45 1.79 0.01 0.00 -2.23 0.00 0.00 60.65 60.67 1grb s ILE 314 Cb -0.21 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1grb s ILE 314 CO 0.25 0.24 0.01 0.68 -1.23 0.00 0.00 174.94 174.89 1grb s VAL 315 N 0.66 0.53 0.00 2.92 -7.23 -1.26 -4.36 120.40 111.66 1grb s VAL 315 Ca 0.45 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1grb s VAL 315 Cb -0.20 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1grb s VAL 315 CO 0.24 -0.52 0.00 -0.90 -0.31 0.00 0.00 175.10 173.62 1grb n ASP 316 N -0.18 0.00 0.15 4.85 5.68 -0.28 -4.90 116.55 121.87 1grb n ASP 316 Ca -0.07 -0.96 0.12 0.00 -0.50 0.00 0.00 54.79 53.38 1grb n ASP 316 Cb 0.63 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.14 1grb n ASP 316 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1grb h GLU 317 N 0.00 0.00 -0.45 0.11 4.11 -1.99 -1.35 114.58 115.01 1grb h GLU 317 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1grb h GLU 317 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1grb h GLU 317 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 1grb n PHE 318 N -2.31 0.59 -1.04 2.06 3.72 -1.26 -4.55 117.46 114.67 1grb n PHE 318 Ca 0.01 -0.39 -0.01 0.00 -0.05 0.00 0.00 57.45 57.00 1grb n PHE 318 Cb 0.19 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.71 1grb n PHE 318 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1grb n GLN 319 N 1.12 -0.37 -2.55 -1.08 1.13 -0.51 -4.97 117.38 110.15 1grb n GLN 319 Ca 0.17 0.29 -0.38 0.00 -1.94 0.00 0.00 57.00 55.13 1grb n GLN 319 Cb 0.52 -3.72 -0.04 0.00 0.11 0.00 0.00 30.24 27.11 1grb n GLN 319 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1grb s ASN 320 N -2.32 7.06 0.42 1.08 0.01 -1.26 -2.12 114.94 117.81 1grb s ASN 320 Ca 0.00 2.10 0.00 0.00 -0.71 0.00 0.00 52.86 54.25 1grb s ASN 320 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1grb s ASN 320 CO 0.00 -0.28 0.00 0.35 -1.51 0.00 0.00 177.10 175.66 1grb n THR 321 N 0.57 0.00 0.75 1.60 -2.24 -0.86 -1.12 114.28 112.98 1grb n THR 321 Ca 0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 1grb n THR 321 Cb 0.48 -1.57 0.41 0.00 -2.10 0.00 0.00 70.33 67.54 1grb n THR 321 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1grb n ASN 322 N -2.20 0.55 -4.67 3.42 6.94 -1.26 -4.73 115.26 113.30 1grb n ASN 322 Ca 0.00 0.40 -0.35 0.00 -0.02 0.00 0.00 54.58 54.61 1grb n ASN 322 Cb 0.00 -0.46 -0.09 0.00 -2.36 0.00 0.00 39.78 36.87 1grb n ASN 322 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1grb s VAL 323 N -3.08 5.10 0.21 3.53 1.01 -1.26 -5.06 120.40 120.85 1grb s VAL 323 Ca 0.11 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 1grb s VAL 323 Cb 0.15 -3.32 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 1grb s VAL 323 CO 0.61 0.43 1.61 -0.54 0.00 0.00 0.00 175.10 177.21 1grb s LYS 324 N 0.50 4.17 0.00 2.72 1.02 -1.26 -2.54 119.74 124.36 1grb s LYS 324 Ca 0.06 2.48 0.00 0.00 0.02 0.00 0.00 55.97 58.52 1grb s LYS 324 Cb -0.12 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1grb s LYS 324 CO 0.00 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1grb n GLY 325 N 3.39 0.58 3.10 -3.33 0.00 -1.26 -4.98 105.19 102.68 1grb n GLY 325 Ca 0.13 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1grb n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1grb s ILE 326 N -2.00 1.62 0.30 -0.61 1.01 -1.05 -0.80 121.20 119.67 1grb s ILE 326 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1grb s ILE 326 Cb 0.00 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 1grb s ILE 326 CO 0.00 0.46 -0.01 -0.31 0.00 0.00 0.00 174.94 175.08 1grb s TYR 327 N 0.79 1.99 -0.09 3.97 1.51 -0.11 -2.02 117.35 123.39 1grb s TYR 327 Ca -0.10 -0.79 -0.09 0.00 -1.01 0.00 0.00 57.07 55.08 1grb s TYR 327 Cb -0.16 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1grb s TYR 327 CO 0.01 0.19 0.25 0.00 -1.11 0.00 0.00 175.55 174.90 1grb s ALA 328 N -3.10 -0.63 0.13 3.71 0.00 -0.90 -0.46 121.76 120.51 1grb s ALA 328 Ca 0.32 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 1grb s ALA 328 Cb 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1grb s ALA 328 CO 0.13 -0.13 0.12 0.14 0.00 0.00 0.00 175.76 176.03 1grb s VAL 329 N -0.00 0.11 0.00 0.00 -7.23 -0.99 -4.76 120.40 107.53 1grb s VAL 329 Ca -0.01 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1grb s VAL 329 Cb -0.02 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1grb s VAL 329 CO 0.01 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 1grb n GLY 330 N -0.10 -1.80 0.43 2.32 0.00 -1.26 -4.29 105.19 100.49 1grb n GLY 330 Ca -0.08 -1.48 0.25 0.00 0.00 0.00 0.00 46.02 44.71 1grb n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1grb h ASP 331 N 0.00 0.01 0.17 1.61 5.19 -1.89 -1.59 116.42 119.91 1grb h ASP 331 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1grb h ASP 331 Cb 0.00 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1grb h ASP 331 CO 0.00 0.00 -0.02 1.62 -3.12 0.00 0.00 179.24 177.72 1grb h VAL 332 N 0.01 0.27 0.00 -1.35 3.04 -1.75 -1.30 116.25 115.17 1grb h VAL 332 Ca 0.36 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 1grb h VAL 332 Cb 1.42 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1grb h VAL 332 CO -0.01 0.02 -0.35 0.00 -1.01 0.00 0.00 177.57 176.23 1grb n GLY 334 N 1.45 0.91 3.00 0.00 0.00 -0.49 -4.71 105.19 105.35 1grb n GLY 334 Ca 0.05 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1grb n GLY 334 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1grb s LYS 335 N -3.46 1.51 -0.77 1.61 -2.85 -1.26 -4.82 119.74 109.70 1grb s LYS 335 Ca 0.00 -0.35 -0.01 0.00 -1.00 0.00 0.00 55.97 54.61 1grb s LYS 335 Cb 0.00 -1.28 0.00 0.00 -2.06 0.00 0.00 37.83 34.49 1grb s LYS 335 CO 0.00 0.01 0.65 0.00 0.10 0.00 0.00 175.35 176.12 1grb n ALA 336 N 3.83 -2.65 -2.25 0.59 0.00 -1.26 -4.81 120.51 113.97 1grb n ALA 336 Ca -0.23 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 1grb n ALA 336 Cb 0.52 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 1grb n ALA 336 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1grb n LEU 337 N -2.09 4.60 -4.01 0.00 4.77 -1.26 -4.76 117.00 114.25 1grb n LEU 337 Ca -0.14 -3.68 -0.12 0.00 -0.03 0.00 0.00 56.01 52.04 1grb n LEU 337 Cb 0.59 -1.70 -0.12 0.00 -2.33 0.00 0.00 43.42 39.86 1grb n LEU 337 CO 0.58 -0.31 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.18 1grb s LEU 338 N 5.67 2.20 0.09 2.23 1.43 -1.26 -5.05 118.68 123.98 1grb s LEU 338 Ca 0.57 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 1grb s LEU 338 Cb 0.05 -0.08 -0.14 0.00 0.03 0.00 0.00 46.19 46.04 1grb s LEU 338 CO 0.08 -0.18 1.70 0.74 0.23 0.00 0.00 176.35 178.92 1grb h THR 339 N 4.67 0.77 0.00 5.49 2.02 -2.01 -2.65 112.91 121.20 1grb h THR 339 Ca -0.33 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1grb h THR 339 Cb 1.20 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1grb h THR 339 CO 0.43 0.00 -0.02 -0.65 0.37 0.00 0.00 175.52 175.65 1grb h PRO 340 N -0.27 0.00 -0.09 6.66 0.11 -1.98 -1.89 132.00 134.55 1grb h PRO 340 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 1grb h PRO 340 Cb 0.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.35 1grb h PRO 340 CO 0.01 0.02 -0.62 0.28 -0.21 0.00 0.00 178.00 177.48 1grb h VAL 341 N 0.00 1.35 -0.48 3.15 2.07 -1.79 -1.69 116.25 118.86 1grb h VAL 341 Ca -0.00 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 1grb h VAL 341 Cb 0.22 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1grb h VAL 341 CO 0.00 0.58 0.26 0.00 0.02 0.00 0.00 177.57 178.43 1grb h ALA 342 N 0.46 0.62 0.50 1.67 0.00 -1.09 0.66 119.26 122.07 1grb h ALA 342 Ca -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1grb h ALA 342 Cb 1.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1grb h ALA 342 CO 0.13 0.15 -0.24 0.82 0.00 0.00 0.00 179.25 180.11 1grb h ILE 343 N 0.64 0.49 -0.60 0.00 2.04 -1.39 0.81 117.51 119.50 1grb h ILE 343 Ca 0.17 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1grb h ILE 343 Cb 0.07 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1grb h ILE 343 CO -0.03 0.04 0.33 0.00 0.00 0.00 0.00 178.15 178.49 1grb h ALA 344 N -0.36 0.78 -0.65 1.87 0.00 -1.20 0.16 119.26 119.86 1grb h ALA 344 Ca -0.07 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1grb h ALA 344 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1grb h ALA 344 CO 0.11 0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.52 1grb h ALA 345 N 1.31 0.86 -0.46 0.00 0.00 -0.73 -0.65 119.26 119.58 1grb h ALA 345 Ca 0.26 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1grb h ALA 345 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1grb h ALA 345 CO -0.16 0.58 -0.00 0.78 0.00 0.00 0.00 179.25 180.45 1grb h GLY 346 N 0.97 0.82 0.49 0.00 0.00 -0.16 -2.10 103.07 103.09 1grb h GLY 346 Ca 0.20 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1grb h GLY 346 CO 0.00 0.50 -0.14 3.21 0.00 0.00 0.00 176.54 180.12 1grb h ARG 347 N 0.71 0.15 -0.40 4.80 3.08 -0.88 -2.16 114.38 119.68 1grb h ARG 347 Ca 0.14 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1grb h ARG 347 Cb 0.44 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1grb h ARG 347 CO 0.02 0.77 0.27 0.87 -1.07 0.00 0.00 179.97 180.83 1grb h LYS 348 N -0.44 0.31 -0.37 0.04 1.79 -1.08 -1.91 116.57 114.91 1grb h LYS 348 Ca -0.01 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.28 1grb h LYS 348 Cb 0.79 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1grb h LYS 348 CO 0.03 0.20 -0.41 1.25 -1.08 0.00 0.00 179.45 179.44 1grb h LEU 349 N 0.32 0.99 -0.78 2.94 5.85 -1.26 -1.96 115.31 121.41 1grb h LEU 349 Ca 0.17 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1grb h LEU 349 Cb 0.28 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1grb h LEU 349 CO -0.04 1.26 0.42 0.00 -0.34 0.00 0.00 178.44 179.75 1grb h ALA 350 N 0.78 1.00 -0.63 1.25 0.00 -0.69 -1.51 119.26 119.45 1grb h ALA 350 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1grb h ALA 350 Cb 1.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1grb h ALA 350 CO 0.10 0.52 0.18 0.45 0.00 0.00 0.00 179.25 180.50 1grb h HIS 351 N 1.08 0.99 -0.28 0.00 3.86 -1.30 0.40 115.15 119.90 1grb h HIS 351 Ca 0.27 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1grb h HIS 351 Cb 0.05 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1grb h HIS 351 CO 0.00 0.80 0.02 -0.09 0.86 0.00 0.00 177.93 179.53 1grb h ARG 352 N 0.93 0.48 -0.05 2.45 2.43 -0.99 -1.00 114.38 118.63 1grb h ARG 352 Ca 0.20 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1grb h ARG 352 Cb 0.29 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1grb h ARG 352 CO -0.01 0.62 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.78 1grb h LEU 353 N 0.28 0.28 -0.71 3.80 3.38 -1.11 -3.01 115.31 118.22 1grb h LEU 353 Ca 0.08 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1grb h LEU 353 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1grb h LEU 353 CO 0.01 0.87 -0.47 0.49 0.09 0.00 0.00 178.44 179.43 1grb n PHE 354 N -4.54 0.00 -0.13 1.13 3.72 0.11 -4.27 117.46 113.49 1grb n PHE 354 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1grb n PHE 354 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1grb n PHE 354 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1grb n GLU 355 N -0.39 1.93 -2.44 -1.08 2.13 -0.40 -4.96 120.64 115.42 1grb n GLU 355 Ca 0.06 -1.19 -0.18 0.00 0.66 0.00 0.00 57.16 56.52 1grb n GLU 355 Cb 0.35 -0.94 -0.01 0.00 0.27 0.00 0.00 31.44 31.12 1grb n GLU 355 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1grb n TYR 356 N -0.35 -1.18 -2.84 4.31 4.01 -1.07 -4.90 117.16 115.14 1grb n TYR 356 Ca 0.00 0.02 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 1grb n TYR 356 Cb 0.23 -3.58 -0.02 0.00 -0.31 0.00 0.00 39.34 35.67 1grb n TYR 356 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1grb s LYS 357 N -5.07 3.80 0.62 -0.72 1.02 -1.06 -4.88 119.74 113.46 1grb s LYS 357 Ca 0.01 -1.96 0.33 0.00 0.02 0.00 0.00 55.97 54.37 1grb s LYS 357 Cb -0.01 -5.10 1.89 0.00 -0.52 0.00 0.00 37.83 34.10 1grb s LYS 357 CO 0.02 -1.89 2.18 1.05 -0.92 0.00 0.00 175.35 175.78 1grb h GLU 358 N 8.28 0.00 -0.13 1.68 4.11 -1.89 0.43 114.58 127.06 1grb h GLU 358 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1grb h GLU 358 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1grb h GLU 358 CO 1.24 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.92 1grb n ASP 359 N -3.49 1.86 -4.61 3.06 5.75 -1.26 -4.87 116.55 113.00 1grb n ASP 359 Ca -0.01 -1.69 -0.43 0.00 -0.01 0.00 0.00 54.79 52.65 1grb n ASP 359 Cb 0.22 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 1grb n ASP 359 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1grb s SER 360 N -1.72 6.33 0.11 -1.12 0.15 0.14 -4.95 113.70 112.64 1grb s SER 360 Ca 0.34 1.07 -0.25 0.00 0.70 0.00 0.00 55.95 57.81 1grb s SER 360 Cb 0.19 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 62.04 1grb s SER 360 CO 0.29 -1.39 0.70 -1.59 1.20 0.00 0.00 173.24 172.45 1grb s LYS 361 N 4.89 1.14 -0.06 5.44 -2.85 -1.26 -4.66 119.74 122.37 1grb s LYS 361 Ca 0.65 -0.43 -0.22 0.00 -1.00 0.00 0.00 55.97 54.96 1grb s LYS 361 Cb -0.17 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1grb s LYS 361 CO 0.31 -0.50 0.64 -1.17 0.10 0.00 0.00 175.35 174.72 1grb s LEU 362 N -2.67 4.33 -0.27 2.77 2.96 -1.26 -5.01 118.68 119.53 1grb s LEU 362 Ca 0.03 1.12 -0.26 0.00 -0.22 0.00 0.00 54.13 54.79 1grb s LEU 362 Cb -0.01 -2.98 0.00 0.00 0.50 0.00 0.00 46.19 43.70 1grb s LEU 362 CO -0.11 -0.05 0.92 -0.62 -1.32 0.00 0.00 176.35 175.17 1grb s ASP 363 N 0.56 6.88 0.00 3.68 2.15 -1.26 -4.94 116.67 123.74 1grb s ASP 363 Ca 0.34 1.04 0.16 0.00 0.43 0.00 0.00 52.55 54.51 1grb s ASP 363 Cb -0.17 -2.47 0.81 0.00 -0.30 0.00 0.00 42.92 40.78 1grb s ASP 363 CO 0.16 -0.65 1.54 -1.22 -0.17 0.00 0.00 175.17 174.84 1grb n TYR 364 N 6.29 0.07 -3.42 -5.34 4.02 -1.26 -4.82 117.16 112.70 1grb n TYR 364 Ca 0.08 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.90 57.61 1grb n TYR 364 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.74 1grb n TYR 364 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1grb s ASN 365 N -1.45 6.63 -1.38 7.72 0.02 -1.26 -4.39 114.94 120.82 1grb s ASN 365 Ca 0.24 0.91 -0.09 0.00 -1.02 0.00 0.00 52.86 52.91 1grb s ASN 365 Cb 0.12 -2.22 0.03 0.00 0.02 0.00 0.00 41.25 39.19 1grb s ASN 365 CO 0.19 -0.07 1.11 0.59 0.02 0.00 0.00 177.10 178.94 1grb n ASN 366 N -0.11 -5.39 -4.68 -1.22 5.03 -1.26 -4.98 115.26 102.64 1grb n ASN 366 Ca 0.00 -0.61 -0.41 0.00 0.87 0.00 0.00 54.58 54.43 1grb n ASN 366 Cb 0.52 -4.75 -0.05 0.00 -1.02 0.00 0.00 39.78 34.49 1grb n ASN 366 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1grb s ILE 367 N -3.33 4.95 0.45 2.41 1.01 -1.26 -4.75 121.20 120.68 1grb s ILE 367 Ca 0.52 1.49 -0.10 0.00 0.00 0.00 0.00 60.65 62.56 1grb s ILE 367 Cb -0.24 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 1grb s ILE 367 CO 0.76 0.11 0.82 -2.16 0.00 0.00 0.00 174.94 174.46 1grb s PRO 368 N 1.73 3.75 -0.10 2.79 0.04 -1.26 -4.42 135.00 137.52 1grb s PRO 368 Ca 0.36 0.51 -0.14 0.00 0.04 0.00 0.00 61.00 61.77 1grb s PRO 368 Cb -0.17 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.07 1grb s PRO 368 CO 0.14 -0.14 0.35 -0.08 0.04 0.00 0.00 177.00 177.31 1grb s THR 369 N -2.53 0.02 -0.05 1.26 -1.32 -0.60 -5.01 115.64 107.41 1grb s THR 369 Ca 0.52 -0.15 0.06 0.00 -1.21 0.00 0.00 61.69 60.92 1grb s THR 369 Cb -0.10 -0.55 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 1grb s THR 369 CO 0.35 -0.08 -0.25 -0.69 -2.21 0.00 0.00 174.62 171.74 1grb s VAL 370 N -0.30 2.03 -0.24 5.08 1.01 -1.26 -1.07 120.40 125.65 1grb s VAL 370 Ca -0.04 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 1grb s VAL 370 Cb -0.03 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1grb s VAL 370 CO 0.02 0.57 0.08 -0.69 0.00 0.00 0.00 175.10 175.08 1grb s VAL 371 N -0.23 4.51 -1.46 2.92 1.01 0.29 -4.95 120.40 122.49 1grb s VAL 371 Ca -0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 1grb s VAL 371 Cb -0.13 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.18 1grb s VAL 371 CO 0.03 0.35 2.38 0.49 0.00 0.00 0.00 175.10 178.35 1grb n PHE 372 N 4.69 3.04 -2.63 5.22 3.72 -1.26 -0.73 117.46 129.52 1grb n PHE 372 Ca -0.16 -2.96 -0.02 0.00 -0.05 0.00 0.00 57.45 54.26 1grb n PHE 372 Cb 0.52 -2.37 0.01 0.00 -0.94 0.00 0.00 39.48 36.70 1grb n PHE 372 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1grb n SER 373 N 4.63 0.18 -3.86 4.37 3.41 -1.26 -4.64 113.62 116.45 1grb n SER 373 Ca 0.58 -1.14 -0.30 0.00 -0.26 0.00 0.00 58.87 57.75 1grb n SER 373 Cb 0.33 -0.06 -0.16 0.00 -0.26 0.00 0.00 64.21 64.07 1grb n SER 373 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1grb s HIS 374 N 0.24 2.02 0.81 7.33 0.09 -1.26 -2.28 115.29 122.24 1grb s HIS 374 Ca 0.07 -1.59 -0.12 0.00 -0.00 0.00 0.00 55.06 53.42 1grb s HIS 374 Cb -0.00 -1.53 0.08 0.00 -0.00 0.00 0.00 32.58 31.12 1grb s HIS 374 CO 0.04 -0.76 1.12 -2.14 -0.00 0.00 0.00 174.74 173.01 1grb s PRO 375 N 1.52 1.97 0.70 8.40 0.02 -1.26 -4.74 135.00 141.60 1grb s PRO 375 Ca -0.01 0.41 -0.14 0.00 0.02 0.00 0.00 61.00 61.28 1grb s PRO 375 Cb -0.18 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1grb s PRO 375 CO -0.09 -1.65 1.11 -1.25 -0.33 0.00 0.00 177.00 174.78 1grb s PRO 376 N -5.31 2.59 -0.03 5.54 0.04 -0.96 -4.59 135.00 132.27 1grb s PRO 376 Ca 0.61 1.34 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1grb s PRO 376 Cb -0.13 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1grb s PRO 376 CO 0.52 -1.41 -0.08 0.42 0.04 0.00 0.00 177.00 176.49 1grb s ILE 377 N -2.50 3.57 -0.03 0.56 1.01 0.09 -2.17 121.20 121.73 1grb s ILE 377 Ca 0.65 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1grb s ILE 377 Cb -0.20 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1grb s ILE 377 CO 0.46 0.51 -0.11 -0.83 0.00 0.00 0.00 174.94 174.97 1grb s GLY 378 N -1.07 0.59 -0.05 6.18 0.00 -0.64 -0.55 107.32 111.79 1grb s GLY 378 Ca 0.14 -0.40 -0.09 0.00 0.00 0.00 0.00 44.72 44.37 1grb s GLY 378 CO 0.04 -0.15 0.22 -1.08 0.00 0.00 0.00 173.10 172.13 1grb s THR 379 N 0.13 0.04 -0.12 0.90 -1.32 -0.24 -1.76 115.64 113.27 1grb s THR 379 Ca -0.03 -0.30 -0.10 0.00 -1.21 0.00 0.00 61.69 60.06 1grb s THR 379 Cb -0.09 -0.42 0.04 0.00 -1.51 0.00 0.00 72.50 70.52 1grb s THR 379 CO 0.01 -0.16 0.31 0.54 -2.21 0.00 0.00 174.62 173.11 1grb s VAL 380 N -0.61 -0.01 0.00 5.08 0.11 -0.28 -1.56 120.40 123.14 1grb s VAL 380 Ca -0.07 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1grb s VAL 380 Cb -0.04 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1grb s VAL 380 CO 0.01 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1grb n GLY 381 N 3.27 -1.06 3.79 6.54 0.00 -1.26 -1.06 105.19 115.40 1grb n GLY 381 Ca -0.16 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 1grb n GLY 381 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1grb s LEU 382 N 0.00 4.47 0.82 0.99 1.43 0.51 -4.88 118.68 122.02 1grb s LEU 382 Ca 0.00 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 1grb s LEU 382 Cb 0.00 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.77 1grb s LEU 382 CO 0.00 0.10 1.14 0.42 0.23 0.00 0.00 176.35 178.24 1grb s THR 383 N -1.35 2.39 0.28 5.49 -4.23 -1.26 -4.18 115.64 112.77 1grb s THR 383 Ca 0.41 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1grb s THR 383 Cb -0.20 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 70.91 1grb s THR 383 CO 0.24 -0.17 1.86 -0.08 -0.54 0.00 0.00 174.62 175.94 1grb h GLU 384 N -1.14 1.04 -0.21 3.99 4.81 -1.97 -1.86 114.58 119.24 1grb h GLU 384 Ca -0.47 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 58.54 1grb h GLU 384 Cb 1.31 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1grb h GLU 384 CO 0.63 0.69 -0.51 -0.44 -0.73 0.00 0.00 179.01 178.65 1grb h ASP 385 N 1.07 0.65 -0.26 1.04 3.32 -1.99 -0.51 116.42 119.75 1grb h ASP 385 Ca 0.46 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1grb h ASP 385 Cb 0.34 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1grb h ASP 385 CO -0.22 1.05 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.89 1grb h GLU 386 N 0.47 0.68 0.02 3.56 5.08 -1.81 -1.00 114.58 121.57 1grb h GLU 386 Ca 0.02 -0.22 -0.21 0.00 -1.00 0.00 0.00 59.36 57.94 1grb h GLU 386 Cb 1.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1grb h GLU 386 CO 0.10 0.79 -0.94 0.00 -1.00 0.00 0.00 179.01 177.96 1grb h ALA 387 N 1.24 0.42 -0.52 3.43 0.00 -1.09 -1.94 119.26 120.80 1grb h ALA 387 Ca 0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 1grb h ALA 387 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1grb h ALA 387 CO 0.04 0.90 0.21 0.82 0.00 0.00 0.00 179.25 181.21 1grb h ILE 388 N 0.14 1.22 -0.22 0.00 2.04 -0.89 0.07 117.51 119.87 1grb h ILE 388 Ca -0.06 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 1grb h ILE 388 Cb 1.58 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1grb h ILE 388 CO 0.15 0.26 -0.14 -0.74 0.00 0.00 0.00 178.15 177.68 1grb h HIS 389 N 0.71 0.38 0.14 1.37 2.76 -1.12 0.18 115.15 119.57 1grb h HIS 389 Ca 0.17 -0.05 -0.32 0.00 -2.20 0.00 0.00 60.37 57.98 1grb h HIS 389 Cb 0.20 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 1grb h HIS 389 CO 0.01 0.49 -1.57 -0.22 -1.30 0.00 0.00 177.93 175.34 1grb h LYS 390 N 0.33 0.29 0.00 5.26 3.64 -1.02 -3.41 116.57 121.67 1grb h LYS 390 Ca 0.06 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1grb h LYS 390 Cb 0.45 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1grb h LYS 390 CO 0.03 1.17 -1.27 0.66 -2.27 0.00 0.00 179.45 177.76 1grb n TYR 391 N -3.49 0.00 0.00 1.91 4.01 -0.02 -5.09 117.16 114.49 1grb n TYR 391 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1grb n TYR 391 Cb 1.05 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 1grb n TYR 391 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1grb n GLY 392 N 2.19 1.25 0.39 2.72 0.00 0.65 -4.45 105.19 107.95 1grb n GLY 392 Ca -0.01 -1.48 0.23 0.00 0.00 0.00 0.00 46.02 44.75 1grb n GLY 392 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1grb h ILE 393 N 0.00 0.48 0.00 -0.61 1.08 -1.90 0.26 117.51 116.82 1grb h ILE 393 Ca 0.00 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1grb h ILE 393 Cb 0.00 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1grb h ILE 393 CO 0.00 0.07 -0.04 1.05 -0.69 0.00 0.00 178.15 178.54 1grb h GLU 394 N 0.41 0.00 -0.58 2.37 4.11 -1.94 -3.07 114.58 115.88 1grb h GLU 394 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.06 1grb h GLU 394 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1grb h GLU 394 CO -0.36 0.04 0.00 0.09 0.07 0.00 0.00 179.01 178.85 1grb n ASN 395 N -3.18 3.62 -4.24 3.06 3.02 0.91 -4.93 115.26 113.51 1grb n ASN 395 Ca -0.00 -1.98 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 1grb n ASN 395 Cb 0.28 -0.38 -0.17 0.00 -0.61 0.00 0.00 39.78 38.90 1grb n ASN 395 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1grb s VAL 396 N -1.09 2.20 -0.04 2.41 1.01 -1.16 -0.88 120.40 122.85 1grb s VAL 396 Ca 0.41 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1grb s VAL 396 Cb 0.22 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1grb s VAL 396 CO 0.29 0.55 -0.09 -0.75 0.00 0.00 0.00 175.10 175.10 1grb s LYS 397 N 0.34 1.16 0.26 2.72 2.47 -0.62 -4.99 119.74 121.09 1grb s LYS 397 Ca -0.18 -0.31 0.12 0.00 -1.56 0.00 0.00 55.97 54.03 1grb s LYS 397 Cb -0.18 -1.05 -0.05 0.00 -1.46 0.00 0.00 37.83 35.10 1grb s LYS 397 CO 0.08 0.07 -0.19 0.95 0.16 0.00 0.00 175.35 176.42 1grb s THR 398 N 0.42 2.56 0.04 3.43 -4.23 -1.26 0.04 115.64 116.65 1grb s THR 398 Ca -0.07 -2.26 0.04 0.00 -1.18 0.00 0.00 61.69 58.22 1grb s THR 398 Cb -0.12 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1grb s THR 398 CO 0.01 -0.33 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.33 1grb s TYR 399 N -2.29 1.10 0.17 3.99 2.02 0.50 -4.98 117.35 117.86 1grb s TYR 399 Ca 0.28 -0.36 -0.14 0.00 -0.37 0.00 0.00 57.07 56.48 1grb s TYR 399 Cb -0.06 -0.65 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 1grb s TYR 399 CO 0.14 0.02 0.41 -1.54 -1.57 0.00 0.00 175.55 173.01 1grb s SER 400 N -1.16 -0.14 0.04 2.29 1.04 -1.26 0.22 113.70 114.73 1grb s SER 400 Ca -0.00 -0.59 -0.15 0.00 0.48 0.00 0.00 55.95 55.68 1grb s SER 400 Cb -0.08 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1grb s SER 400 CO 0.01 -0.95 0.34 0.28 0.98 0.00 0.00 173.24 173.90 1grb s THR 401 N -3.89 0.07 -0.09 2.02 -1.32 -0.08 -4.89 115.64 107.46 1grb s THR 401 Ca 0.11 -0.59 -0.04 0.00 -1.21 0.00 0.00 61.69 59.95 1grb s THR 401 Cb 0.01 -0.91 0.05 0.00 -1.51 0.00 0.00 72.50 70.13 1grb s THR 401 CO -0.04 -0.33 0.20 -0.55 -2.21 0.00 0.00 174.62 171.70 1grb s SER 402 N -1.98 -0.02 0.22 8.08 0.15 -1.26 -1.68 113.70 117.21 1grb s SER 402 Ca -0.06 0.43 -0.19 0.00 0.70 0.00 0.00 55.95 56.83 1grb s SER 402 Cb -0.01 0.34 0.03 0.00 -1.71 0.00 0.00 66.02 64.67 1grb s SER 402 CO -0.02 -0.18 0.60 0.72 1.20 0.00 0.00 173.24 175.56 1grb s PHE 403 N 1.48 -0.19 -0.31 3.44 -0.71 -0.63 -4.99 117.98 116.06 1grb s PHE 403 Ca -0.07 -0.16 -0.13 0.00 -1.04 0.00 0.00 56.93 55.53 1grb s PHE 403 Cb -0.11 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1grb s PHE 403 CO -0.07 -1.01 0.25 0.99 -1.34 0.00 0.00 175.22 174.04 1grb s THR 404 N -3.87 5.27 0.29 -4.49 2.01 -1.26 0.10 115.64 113.68 1grb s THR 404 Ca 0.09 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1grb s THR 404 Cb -0.03 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.70 1grb s THR 404 CO -0.01 0.09 1.25 -2.65 -0.69 0.00 0.00 174.62 172.62 1grb n PRO 405 N 5.14 1.85 -0.03 4.92 -0.02 -1.26 -4.82 135.00 140.78 1grb n PRO 405 Ca -0.12 0.65 0.24 0.00 -2.02 0.00 0.00 63.50 62.25 1grb n PRO 405 Cb 0.51 -2.20 0.65 0.00 -0.02 0.00 0.00 33.50 32.43 1grb n PRO 405 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1grb h MET 406 N 3.00 0.00 -0.77 -0.52 1.85 -1.97 0.27 114.93 116.79 1grb h MET 406 Ca -0.44 0.00 0.18 0.00 -0.61 0.00 0.00 59.70 58.83 1grb h MET 406 Cb 1.30 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.28 1grb h MET 406 CO 0.67 0.00 0.53 -0.92 -0.40 0.00 0.00 176.91 176.79 1grb h TYR 407 N 0.00 0.31 -0.66 1.39 3.20 -2.02 -1.01 116.97 118.19 1grb h TYR 407 Ca 0.31 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1grb h TYR 407 Cb 1.76 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.93 1grb h TYR 407 CO 0.00 0.10 0.00 0.72 -1.64 0.00 0.00 178.16 177.34 1grb n HIS 408 N -4.43 0.91 0.29 -3.82 8.25 0.96 -4.22 115.22 113.16 1grb n HIS 408 Ca 0.15 -0.45 0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1grb n HIS 408 Cb 0.67 -0.01 0.91 0.00 1.12 0.00 0.00 29.99 32.68 1grb n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1grb h ALA 409 N 4.20 1.55 -0.02 -1.41 0.00 -1.27 -2.69 119.26 119.61 1grb h ALA 409 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1grb h ALA 409 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1grb h ALA 409 CO 0.01 -0.03 0.00 1.33 0.00 0.00 0.00 179.25 180.56 1grb n VAL 410 N -3.83 0.96 -4.24 0.00 0.24 -1.26 -5.06 118.33 105.15 1grb n VAL 410 Ca -0.03 -0.98 -0.26 0.00 -2.04 0.00 0.00 64.34 61.03 1grb n VAL 410 Cb 0.11 0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 32.92 1grb n VAL 410 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1grb s THR 411 N -0.96 3.55 0.07 3.34 -4.23 -1.02 -4.75 115.64 111.64 1grb s THR 411 Ca 0.02 -1.54 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1grb s THR 411 Cb 0.01 -2.79 -0.22 0.00 1.34 0.00 0.00 72.50 70.84 1grb s THR 411 CO 0.01 -0.14 1.08 0.11 -0.54 0.00 0.00 174.62 175.14 1grb h LYS 412 N 2.67 0.01 -6.72 3.99 1.57 -1.96 -3.44 116.57 112.69 1grb h LYS 412 Ca -0.47 -0.02 -0.49 0.00 -1.87 0.00 0.00 60.65 57.80 1grb h LYS 412 Cb 1.21 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1grb h LYS 412 CO 0.57 0.85 0.31 0.50 -0.57 0.00 0.00 179.45 181.11 1grb s ARG 413 N -2.67 4.74 0.07 3.15 3.52 -1.26 -5.07 118.95 121.42 1grb s ARG 413 Ca -0.01 1.38 0.03 0.00 -0.13 0.00 0.00 55.73 57.00 1grb s ARG 413 Cb 0.09 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1grb s ARG 413 CO 0.82 0.48 -0.09 0.15 -0.81 0.00 0.00 175.30 175.86 1grb s LYS 414 N -1.35 0.69 0.09 5.12 -0.14 -1.26 -4.91 119.74 117.98 1grb s LYS 414 Ca 0.42 -0.96 -0.01 0.00 -1.36 0.00 0.00 55.97 54.06 1grb s LYS 414 Cb -0.24 -0.43 -0.04 0.00 -1.68 0.00 0.00 37.83 35.44 1grb s LYS 414 CO 0.29 0.07 -0.00 0.95 -0.76 0.00 0.00 175.35 175.90 1grb s THR 415 N -1.89 0.26 0.38 2.17 -4.23 -1.26 -5.07 115.64 106.00 1grb s THR 415 Ca -0.02 -1.87 0.08 0.00 -1.18 0.00 0.00 61.69 58.70 1grb s THR 415 Cb -0.06 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1grb s THR 415 CO 0.00 -0.78 0.19 -0.75 -0.54 0.00 0.00 174.62 172.74 1grb s LYS 416 N -3.95 2.33 -0.12 3.99 2.20 -1.26 -4.34 119.74 118.58 1grb s LYS 416 Ca 0.14 -1.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.09 1grb s LYS 416 Cb 0.07 -2.12 0.02 0.00 -1.51 0.00 0.00 37.83 34.29 1grb s LYS 416 CO -0.05 -0.03 -0.13 0.00 -0.36 0.00 0.00 175.35 174.78 1grb s VAL 418 N 1.29 2.00 -0.01 0.00 -7.23 -0.32 -1.60 120.40 114.53 1grb s VAL 418 Ca -0.01 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1grb s VAL 418 Cb -0.14 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1grb s VAL 418 CO -0.06 0.56 -0.06 -0.04 -0.31 0.00 0.00 175.10 175.19 1grb s MET 419 N -0.21 0.55 -0.01 4.82 -1.94 -0.68 -0.93 119.30 120.90 1grb s MET 419 Ca -0.02 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 1grb s MET 419 Cb -0.13 -0.54 0.02 0.00 2.01 0.00 0.00 34.83 36.19 1grb s MET 419 CO 0.03 0.10 0.01 0.21 -0.01 0.00 0.00 175.02 175.36 1grb s LYS 420 N 0.04 -0.00 -0.15 2.03 2.20 0.52 -0.90 119.74 123.47 1grb s LYS 420 Ca -0.00 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1grb s LYS 420 Cb -0.05 -0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.13 1grb s LYS 420 CO -0.00 -0.09 -0.15 1.41 -0.36 0.00 0.00 175.35 176.17 1grb s MET 421 N 0.56 3.24 -0.30 4.03 -2.45 0.13 -1.41 119.30 123.10 1grb s MET 421 Ca -0.05 -0.74 -0.10 0.00 -1.25 0.00 0.00 55.69 53.55 1grb s MET 421 Cb -0.07 -2.63 -0.02 0.00 1.25 0.00 0.00 34.83 33.36 1grb s MET 421 CO -0.02 0.03 0.16 0.08 1.05 0.00 0.00 175.02 176.33 1grb s VAL 422 N 0.78 4.79 0.17 10.11 1.01 0.17 -0.37 120.40 137.06 1grb s VAL 422 Ca -0.06 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1grb s VAL 422 Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1grb s VAL 422 CO 0.01 0.14 -0.08 0.00 0.00 0.00 0.00 175.10 175.17 1grb s ALA 424 N -1.67 1.12 0.26 0.00 0.00 -0.21 -1.59 121.76 119.68 1grb s ALA 424 Ca 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1grb s ALA 424 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1grb s ALA 424 CO 0.16 0.20 0.00 0.09 0.00 0.00 0.00 175.76 176.20 1grb n ASN 425 N 1.79 -7.05 0.08 0.00 5.03 -0.06 -1.51 115.26 113.55 1grb n ASN 425 Ca -0.19 1.21 -0.03 0.00 0.87 0.00 0.00 54.58 56.45 1grb n ASN 425 Cb 0.55 -3.41 0.21 0.00 -1.02 0.00 0.00 39.78 36.11 1grb n ASN 425 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1grb h LYS 426 N 0.00 0.29 0.00 3.52 3.64 -1.98 -2.09 116.57 119.95 1grb h LYS 426 Ca 0.02 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1grb h LYS 426 Cb 1.03 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1grb h LYS 426 CO 0.01 0.64 -0.03 1.05 -2.27 0.00 0.00 179.45 178.85 1grb h GLU 427 N 0.24 0.00 -5.38 1.90 9.09 -2.01 -3.47 114.58 114.96 1grb h GLU 427 Ca 0.02 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.16 1grb h GLU 427 Cb 0.81 0.00 0.17 0.00 -1.65 0.00 0.00 28.75 28.08 1grb h GLU 427 CO 0.06 0.03 -0.76 0.39 0.05 0.00 0.00 179.01 178.78 1grb n GLU 428 N -3.14 -4.40 -2.05 1.06 1.02 -0.78 -4.29 120.64 108.06 1grb n GLU 428 Ca 0.00 0.81 -0.42 0.00 -0.02 0.00 0.00 57.16 57.54 1grb n GLU 428 Cb 0.32 -5.63 -0.03 0.00 -0.02 0.00 0.00 31.44 26.08 1grb n GLU 428 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1grb s LYS 429 N -4.85 4.28 -0.49 3.49 2.20 -0.57 -0.96 119.74 122.85 1grb s LYS 429 Ca 0.19 2.25 -0.28 0.00 -0.36 0.00 0.00 55.97 57.77 1grb s LYS 429 Cb -0.03 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1grb s LYS 429 CO 0.69 -0.44 1.52 0.08 -0.36 0.00 0.00 175.35 176.84 1grb s VAL 430 N 0.44 3.72 -1.42 4.02 1.01 -0.15 -1.04 120.40 126.98 1grb s VAL 430 Ca 0.62 0.66 0.17 0.00 0.00 0.00 0.00 61.98 63.43 1grb s VAL 430 Cb -0.41 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 1grb s VAL 430 CO 0.38 -0.91 0.86 1.33 0.00 0.00 0.00 175.10 176.76 1grb n VAL 431 N 7.05 0.00 -3.62 2.92 0.24 -0.03 -4.77 118.33 120.12 1grb n VAL 431 Ca 0.16 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 1grb n VAL 431 Cb 0.49 1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 33.95 1grb n VAL 431 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1grb s GLY 432 N -2.12 -0.23 -0.05 7.63 0.00 -1.08 -0.36 107.32 111.10 1grb s GLY 432 Ca 0.13 2.46 0.03 0.00 0.00 0.00 0.00 44.72 47.34 1grb s GLY 432 CO 0.49 1.68 -0.12 -0.42 0.00 0.00 0.00 173.10 174.72 1grb s ILE 433 N -0.00 1.11 -0.02 0.90 1.01 -0.22 -0.66 121.20 123.32 1grb s ILE 433 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1grb s ILE 433 Cb -0.04 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.44 1grb s ILE 433 CO -0.04 0.34 0.00 -1.00 0.00 0.00 0.00 174.94 174.25 1grb s HIS 434 N 0.47 0.21 0.09 3.97 3.76 -0.50 -1.13 115.29 122.16 1grb s HIS 434 Ca -0.11 0.02 -0.23 0.00 -0.15 0.00 0.00 55.06 54.60 1grb s HIS 434 Cb -0.14 -0.28 0.06 0.00 1.11 0.00 0.00 32.58 33.33 1grb s HIS 434 CO 0.03 -0.08 0.56 0.00 -0.85 0.00 0.00 174.74 174.39 1grb s MET 435 N 0.73 1.14 -0.06 1.40 0.23 -0.72 -0.35 119.30 121.66 1grb s MET 435 Ca -0.07 -0.31 -0.04 0.00 -1.03 0.00 0.00 55.69 54.23 1grb s MET 435 Cb -0.10 0.52 0.03 0.00 -1.53 0.00 0.00 34.83 33.75 1grb s MET 435 CO -0.02 -0.44 0.16 -1.14 -2.03 0.00 0.00 175.02 171.55 1grb s GLN 436 N -2.94 0.15 0.00 3.16 0.74 -0.11 -1.63 119.66 119.04 1grb s GLN 436 Ca -0.03 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.67 1grb s GLN 436 Cb -0.00 -0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.09 1grb s GLN 436 CO -0.06 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 1grb n GLY 437 N 3.49 2.55 3.70 2.59 0.00 -0.92 -1.17 105.19 115.43 1grb n GLY 437 Ca -0.18 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 1grb n GLY 437 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1grb n LEU 438 N 0.00 3.66 0.00 0.99 4.77 -1.26 -1.74 117.00 123.42 1grb n LEU 438 Ca 0.00 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 1grb n LEU 438 Cb 0.00 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.58 1grb n LEU 438 CO 0.00 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1grb n GLY 439 N 3.10 1.85 0.30 -0.72 0.00 -1.26 -4.91 105.19 103.55 1grb n GLY 439 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.33 1grb n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grb h ASP 441 N 0.00 0.61 0.04 0.00 2.03 -1.84 -3.14 116.42 114.13 1grb h ASP 441 Ca -0.00 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 1grb h ASP 441 Cb 0.22 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1grb h ASP 441 CO 0.01 0.67 -0.68 -0.62 -1.03 0.00 0.00 179.24 177.59 1grb n GLU 442 N -4.25 0.60 0.02 4.15 -0.58 -0.87 -4.37 120.64 115.34 1grb n GLU 442 Ca 0.02 -0.48 -0.09 0.00 -0.42 0.00 0.00 57.16 56.18 1grb n GLU 442 Cb 0.26 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.51 1grb n GLU 442 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1grb h MET 443 N 1.18 0.04 -0.38 3.49 4.05 -1.39 -3.40 114.93 118.52 1grb h MET 443 Ca 0.00 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1grb h MET 443 Cb 0.62 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 1grb h MET 443 CO 0.00 0.79 0.18 1.25 0.23 0.00 0.00 176.91 179.36 1grb h LEU 444 N 0.01 0.51 -0.75 3.39 5.85 -1.75 -3.36 115.31 119.21 1grb h LEU 444 Ca -0.17 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.54 1grb h LEU 444 Cb 1.92 -0.13 -0.13 0.00 0.37 0.00 0.00 40.66 42.69 1grb h LEU 444 CO 0.11 0.50 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.76 1grb h GLN 445 N 0.48 -0.09 -0.48 1.25 5.75 -1.85 -0.81 115.11 119.37 1grb h GLN 445 Ca 0.13 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.53 1grb h GLN 445 Cb 0.14 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1grb h GLN 445 CO -0.02 -0.06 -0.12 0.78 -2.65 0.00 0.00 178.83 176.77 1grb h GLY 446 N -0.09 0.95 2.00 2.39 0.00 -1.88 -2.22 103.07 104.22 1grb h GLY 446 Ca 0.28 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1grb h GLY 446 CO -0.80 0.68 -0.24 0.74 0.00 0.00 0.00 176.54 176.92 1grb h PHE 447 N 0.79 0.00 -0.15 5.60 0.04 -1.45 -2.11 116.94 119.66 1grb h PHE 447 Ca 0.13 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.82 1grb h PHE 447 Cb 0.64 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1grb h PHE 447 CO 0.04 0.24 -0.26 0.00 -0.60 0.00 0.00 178.31 177.73 1grb h ALA 448 N 1.76 1.30 -0.26 2.45 0.00 -0.60 0.20 119.26 124.11 1grb h ALA 448 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1grb h ALA 448 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1grb h ALA 448 CO 0.03 0.48 0.05 0.28 0.00 0.00 0.00 179.25 180.09 1grb h VAL 449 N 0.24 1.22 -0.68 0.00 2.07 -0.94 -1.37 116.25 116.79 1grb h VAL 449 Ca 0.04 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 1grb h VAL 449 Cb 0.59 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1grb h VAL 449 CO 0.04 0.24 0.14 0.00 0.02 0.00 0.00 177.57 178.01 1grb h ALA 450 N 0.87 0.90 -0.46 1.67 0.00 -0.95 -1.78 119.26 119.52 1grb h ALA 450 Ca 0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1grb h ALA 450 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1grb h ALA 450 CO 0.00 0.64 -0.21 0.28 0.00 0.00 0.00 179.25 179.96 1grb h VAL 451 N 1.03 1.27 -0.32 0.00 2.07 -0.57 -1.96 116.25 117.78 1grb h VAL 451 Ca 0.21 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1grb h VAL 451 Cb 0.40 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1grb h VAL 451 CO 0.01 0.46 0.06 0.50 0.02 0.00 0.00 177.57 178.63 1grb h LYS 452 N 0.80 0.46 0.00 1.57 1.63 -0.84 -1.61 116.57 118.57 1grb h LYS 452 Ca 0.11 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1grb h LYS 452 Cb 0.76 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1grb h LYS 452 CO 0.06 0.44 0.00 -1.33 -3.45 0.00 0.00 179.45 175.17 1grb n MET 453 N -4.35 0.36 -1.93 1.90 2.81 -0.70 -4.93 117.12 110.28 1grb n MET 453 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1grb n MET 453 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1grb n MET 453 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1grb n GLY 454 N 1.28 0.96 3.74 3.03 0.00 -0.61 -5.04 105.19 108.55 1grb n GLY 454 Ca 0.13 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1grb n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grb s ALA 455 N -2.75 2.24 0.49 4.61 0.00 -0.77 -4.82 121.76 120.76 1grb s ALA 455 Ca 0.00 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.74 1grb s ALA 455 Cb 0.00 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1grb s ALA 455 CO 0.00 -1.66 0.28 0.95 0.00 0.00 0.00 175.76 175.33 1grb s THR 456 N -2.17 1.89 0.36 0.00 -4.23 -1.26 -0.98 115.64 109.25 1grb s THR 456 Ca 0.71 -1.61 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 1grb s THR 456 Cb -0.25 -2.49 0.11 0.00 1.34 0.00 0.00 72.50 71.21 1grb s THR 456 CO 0.44 0.00 1.84 0.50 -0.54 0.00 0.00 174.62 176.86 1grb h LYS 457 N 1.06 0.21 -0.57 3.99 1.63 -1.23 -1.88 116.57 119.77 1grb h LYS 457 Ca -0.40 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.33 1grb h LYS 457 Cb 1.29 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.87 1grb h LYS 457 CO 0.63 0.45 0.33 0.00 -3.45 0.00 0.00 179.45 177.41 1grb h ALA 458 N 1.56 1.51 -0.50 5.00 0.00 -1.84 0.11 119.26 125.10 1grb h ALA 458 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1grb h ALA 458 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1grb h ALA 458 CO 0.04 0.42 0.16 -0.44 0.00 0.00 0.00 179.25 179.43 1grb h ASP 459 N 0.79 0.72 0.19 0.00 3.32 -1.73 0.15 116.42 119.86 1grb h ASP 459 Ca 0.21 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1grb h ASP 459 Cb -0.01 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1grb h ASP 459 CO -0.04 0.73 -0.09 -0.26 -1.72 0.00 0.00 179.24 177.87 1grb h PHE 460 N 0.67 -0.23 0.00 4.55 -1.00 -1.30 -3.00 116.94 116.63 1grb h PHE 460 Ca 0.16 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 1grb h PHE 460 Cb 0.27 0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 1grb h PHE 460 CO 0.01 -0.06 -0.05 -0.44 -1.61 0.00 0.00 178.31 176.17 1grb h ASP 461 N -0.36 0.00 -0.15 2.17 3.32 -0.48 -1.79 116.42 119.13 1grb h ASP 461 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1grb h ASP 461 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1grb h ASP 461 CO 0.04 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.20 1grb n ASN 462 N -3.98 1.48 -4.65 6.45 3.02 0.50 -4.80 115.26 113.28 1grb n ASN 462 Ca -0.03 -1.69 -0.37 0.00 -0.03 0.00 0.00 54.58 52.46 1grb n ASN 462 Cb 0.14 -0.10 -0.09 0.00 -0.61 0.00 0.00 39.78 39.12 1grb n ASN 462 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1grb s THR 463 N -1.81 5.28 0.32 3.41 2.01 -0.67 -5.06 115.64 119.12 1grb s THR 463 Ca 0.31 0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 1grb s THR 463 Cb 0.17 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.97 1grb s THR 463 CO 0.25 0.29 1.40 -0.69 -0.69 0.00 0.00 174.62 175.18 1grb s VAL 464 N 1.31 2.52 0.73 3.82 1.01 -1.26 -4.98 120.40 123.55 1grb s VAL 464 Ca 0.12 0.49 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 1grb s VAL 464 Cb -0.14 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1grb s VAL 464 CO 0.07 0.10 1.08 0.00 0.00 0.00 0.00 175.10 176.35 1grb s ALA 465 N -0.75 2.54 -0.27 5.51 0.00 -1.26 -5.07 121.76 122.47 1grb s ALA 465 Ca 0.54 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 1grb s ALA 465 Cb -0.42 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1grb s ALA 465 CO 0.52 -1.39 0.00 0.42 0.00 0.00 0.00 175.76 175.31 1grb s ILE 466 N -3.13 3.41 -0.03 0.00 1.01 -1.26 -5.10 121.20 116.10 1grb s ILE 466 Ca 0.59 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.47 1grb s ILE 466 Cb -0.14 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1grb s ILE 466 CO 0.54 0.16 -0.21 -2.28 0.00 0.00 0.00 174.94 173.16 1grb s HIS 467 N 1.42 2.49 -0.24 3.97 2.46 -1.26 -3.40 115.29 120.72 1grb s HIS 467 Ca 0.02 -0.33 -0.11 0.00 0.47 0.00 0.00 55.06 55.11 1grb s HIS 467 Cb -0.17 -1.56 -0.05 0.00 -0.13 0.00 0.00 32.58 30.68 1grb s HIS 467 CO -0.01 0.05 0.18 -1.25 -2.47 0.00 0.00 174.74 171.24 1grb s PRO 468 N -0.65 4.07 0.28 2.88 0.05 -1.26 -5.18 135.00 135.19 1grb s PRO 468 Ca 0.10 -0.24 0.00 0.00 0.05 0.00 0.00 61.00 60.91 1grb s PRO 468 Cb -0.10 -3.55 -0.02 0.00 0.05 0.00 0.00 34.50 30.87 1grb s PRO 468 CO -0.00 0.03 0.30 0.95 0.05 0.00 0.00 177.00 178.33 1grb s THR 469 N 1.15 0.00 -0.02 1.26 -4.23 -1.22 -5.04 115.64 107.55 1grb s THR 469 Ca 0.08 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1grb s THR 469 Cb -0.14 -2.50 -0.29 0.00 1.34 0.00 0.00 72.50 70.91 1grb s THR 469 CO 0.05 0.00 0.78 0.28 -0.54 0.00 0.00 174.62 175.19 1grb h SER 470 N 2.30 0.49 -0.36 3.99 0.02 -1.92 -3.36 113.55 114.70 1grb h SER 470 Ca -0.29 -0.71 0.10 0.00 -0.84 0.00 0.00 61.79 60.05 1grb h SER 470 Cb 1.24 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1grb h SER 470 CO 0.42 1.59 0.26 0.77 -1.14 0.00 0.00 176.83 178.73 1grb h SER 471 N 0.09 0.02 0.04 3.07 4.64 -1.94 -1.44 113.55 118.02 1grb h SER 471 Ca -0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1grb h SER 471 Cb 2.06 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1grb h SER 471 CO 0.17 0.01 -0.00 1.05 -0.87 0.00 0.00 176.83 177.19 1grb h GLU 472 N 0.02 0.00 -0.19 4.77 4.11 -1.75 -2.48 114.58 119.07 1grb h GLU 472 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.56 1grb h GLU 472 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1grb h GLU 472 CO -0.01 0.00 -0.07 0.93 0.07 0.00 0.00 179.01 179.94 1grb h GLU 473 N 0.00 0.28 0.00 1.06 4.39 -1.52 -2.18 114.58 116.61 1grb h GLU 473 Ca -0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1grb h GLU 473 Cb 0.03 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1grb h GLU 473 CO 0.00 0.37 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.14 1grb h LEU 474 N 0.27 0.00 -2.11 1.33 3.38 -1.65 -2.80 115.31 113.74 1grb h LEU 474 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1grb h LEU 474 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1grb h LEU 474 CO 0.01 0.01 0.00 1.33 0.09 0.00 0.00 178.44 179.88 1grb n VAL 475 N -3.11 0.38 -1.85 1.22 0.24 -0.83 -4.41 118.33 109.97 1grb n VAL 475 Ca 0.00 -0.69 0.05 0.00 -2.04 0.00 0.00 64.34 61.67 1grb n VAL 475 Cb 0.30 1.03 0.13 0.00 -1.47 0.00 0.00 33.84 33.82 1grb n VAL 475 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1grb n THR 476 N 1.00 1.30 -2.26 3.34 -2.24 -1.06 -4.31 114.28 110.05 1grb n THR 476 Ca 0.13 -2.17 -0.41 0.00 -2.27 0.00 0.00 64.05 59.33 1grb n THR 476 Cb 0.46 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 1grb n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1grb s LEU 477 N -1.92 4.44 0.00 3.22 1.43 -1.17 -5.02 118.68 119.67 1grb s LEU 477 Ca 0.33 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1grb s LEU 477 Cb 0.34 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1grb s LEU 477 CO -0.08 -0.45 0.11 0.54 0.23 0.00 0.00 176.35 176.70