#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gra s ALA 19 N 0.00 3.33 -0.03 3.52 0.00 -1.14 -4.89 121.76 122.55 1gra s ALA 19 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1gra s ALA 19 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1gra s ALA 19 CO 0.00 -0.26 0.14 0.45 0.00 0.00 0.00 175.76 176.09 1gra s SER 20 N 0.93 6.12 0.33 0.00 0.15 -1.26 -1.36 113.70 118.61 1gra s SER 20 Ca 0.41 0.29 0.03 0.00 0.70 0.00 0.00 55.95 57.39 1gra s SER 20 Cb -0.18 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1gra s SER 20 CO 0.19 0.29 0.11 -0.31 1.20 0.00 0.00 173.24 174.73 1gra s TYR 21 N -1.23 1.73 0.04 3.44 1.51 -0.49 -4.95 117.35 117.40 1gra s TYR 21 Ca 0.24 -1.21 0.07 0.00 -1.01 0.00 0.00 57.07 55.16 1gra s TYR 21 Cb -0.12 -1.05 -0.23 0.00 -0.11 0.00 0.00 41.96 40.45 1gra s TYR 21 CO 0.15 -0.29 0.99 -0.44 -1.11 0.00 0.00 175.55 174.84 1gra h ASP 22 N 2.11 0.07 -2.96 2.29 3.32 -0.57 -3.37 116.42 117.32 1gra h ASP 22 Ca -0.37 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.44 1gra h ASP 22 Cb 1.25 -0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.49 1gra h ASP 22 CO 0.59 1.08 -0.40 -0.47 -1.72 0.00 0.00 179.24 178.33 1gra s TYR 23 N -2.65 -0.58 -0.16 4.55 5.04 -0.93 -3.78 117.35 118.84 1gra s TYR 23 Ca -0.03 1.21 -0.01 0.00 -2.44 0.00 0.00 57.07 55.80 1gra s TYR 23 Cb 0.09 0.18 -0.01 0.00 0.35 0.00 0.00 41.96 42.56 1gra s TYR 23 CO 0.83 -0.37 -0.11 -0.51 -1.34 0.00 0.00 175.55 174.05 1gra s LEU 24 N 1.94 2.74 -0.22 6.97 1.43 -0.97 -2.05 118.68 128.53 1gra s LEU 24 Ca -0.05 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1gra s LEU 24 Cb -0.10 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1gra s LEU 24 CO -0.11 0.11 -0.10 -0.69 0.23 0.00 0.00 176.35 175.78 1gra s VAL 25 N 0.71 2.73 -0.50 -1.59 1.01 -0.61 -0.70 120.40 121.46 1gra s VAL 25 Ca -0.05 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1gra s VAL 25 Cb -0.15 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 34.01 1gra s VAL 25 CO 0.02 0.38 0.58 -0.63 0.00 0.00 0.00 175.10 175.44 1gra s ILE 26 N 1.35 4.95 0.00 2.22 1.01 0.64 -0.38 121.20 131.00 1gra s ILE 26 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1gra s ILE 26 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1gra s ILE 26 CO -0.07 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 174.73 1gra n GLY 27 N 5.17 3.37 2.55 6.18 0.00 -0.26 0.61 105.19 122.81 1gra n GLY 27 Ca -0.08 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 1gra n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gra n GLY 28 N 0.56 5.82 0.00 -0.02 0.00 -1.23 -4.18 105.19 106.14 1gra n GLY 28 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.53 1gra n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gra n GLY 29 N -0.68 2.83 0.34 -0.02 0.00 -1.26 -1.14 105.19 105.26 1gra n GLY 29 Ca 0.54 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1gra n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gra h SER 30 N 0.00 -1.07 -0.23 1.61 0.02 -1.93 -0.25 113.55 111.70 1gra h SER 30 Ca 0.00 0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1gra h SER 30 Cb 0.00 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1gra h SER 30 CO 0.00 -0.34 -0.40 1.23 -1.14 0.00 0.00 176.83 176.17 1gra h GLY 31 N -0.32 0.74 0.88 -3.77 0.00 -1.86 -2.81 103.07 95.92 1gra h GLY 31 Ca 0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1gra h GLY 31 CO -0.46 0.77 0.05 -1.33 0.00 0.00 0.00 176.54 175.57 1gra h GLY 32 N 0.38 0.18 0.92 4.60 0.00 -1.68 -1.38 103.07 106.09 1gra h GLY 32 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1gra h GLY 32 CO 0.09 0.09 -0.04 1.41 0.00 0.00 0.00 176.54 178.09 1gra h LEU 33 N 0.04 -0.09 -0.63 3.11 3.38 -1.14 -1.45 115.31 118.53 1gra h LEU 33 Ca 0.04 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1gra h LEU 33 Cb 0.15 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1gra h LEU 33 CO -0.00 0.01 0.37 0.00 0.09 0.00 0.00 178.44 178.91 1gra h ALA 34 N 0.72 0.83 -0.24 1.53 0.00 -1.47 -1.30 119.26 119.34 1gra h ALA 34 Ca -0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1gra h ALA 34 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gra h ALA 34 CO 0.02 0.09 -0.12 1.03 0.00 0.00 0.00 179.25 180.26 1gra h SER 35 N 0.71 0.52 -0.65 0.00 0.87 -1.17 -2.45 113.55 111.38 1gra h SER 35 Ca 0.27 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1gra h SER 35 Cb 0.09 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1gra h SER 35 CO -0.14 0.82 0.32 0.00 -0.53 0.00 0.00 176.83 177.31 1gra h ALA 36 N 0.72 0.83 -0.70 6.23 0.00 -1.13 -1.19 119.26 124.01 1gra h ALA 36 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1gra h ALA 36 Cb 0.63 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1gra h ALA 36 CO 0.04 0.39 0.26 0.00 0.00 0.00 0.00 179.25 179.93 1gra h ARG 37 N 0.89 1.07 -0.29 0.00 3.08 -1.24 -0.50 114.38 117.39 1gra h ARG 37 Ca 0.22 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1gra h ARG 37 Cb 0.10 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1gra h ARG 37 CO -0.03 0.90 -0.40 -0.09 -1.07 0.00 0.00 179.97 179.28 1gra h ARG 38 N 1.02 0.78 -0.55 0.04 9.65 -1.20 -2.43 114.38 121.70 1gra h ARG 38 Ca 0.23 -0.46 0.02 0.00 -1.10 0.00 0.00 59.98 58.67 1gra h ARG 38 Cb 0.25 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1gra h ARG 38 CO -0.01 1.09 0.35 0.00 2.80 0.00 0.00 179.97 184.19 1gra h ALA 39 N 0.69 0.71 -0.95 2.80 0.00 -0.94 -2.28 119.26 119.28 1gra h ALA 39 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gra h ALA 39 Cb 1.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1gra h ALA 39 CO 0.09 0.09 0.61 0.00 0.00 0.00 0.00 179.25 180.05 1gra h ALA 40 N 1.23 1.29 0.00 0.00 0.00 -1.00 0.23 119.26 121.00 1gra h ALA 40 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1gra h ALA 40 Cb -0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1gra h ALA 40 CO -0.07 0.64 -0.04 0.93 0.00 0.00 0.00 179.25 180.71 1gra h GLU 41 N 1.30 0.00 -0.05 0.00 5.08 -0.91 -0.75 114.58 119.24 1gra h GLU 41 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1gra h GLU 41 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1gra h GLU 41 CO -0.07 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.26 1gra n LEU 42 N -3.93 1.36 0.00 1.33 4.77 0.01 -4.91 117.00 115.63 1gra n LEU 42 Ca -0.03 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1gra n LEU 42 Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1gra n LEU 42 CO 0.30 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1gra n GLY 43 N 1.14 0.51 3.77 -0.72 0.00 -0.29 -4.98 105.19 104.61 1gra n GLY 43 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1gra n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gra s ALA 44 N -2.00 3.22 -0.50 4.61 0.00 -0.83 -4.95 121.76 121.30 1gra s ALA 44 Ca 0.00 1.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1gra s ALA 44 Cb 0.00 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1gra s ALA 44 CO 0.00 -0.71 0.65 0.50 0.00 0.00 0.00 175.76 176.20 1gra s ARG 45 N -2.25 3.15 0.26 0.00 6.06 -1.26 -4.20 118.95 120.70 1gra s ARG 45 Ca 0.57 -0.79 0.11 0.00 -2.50 0.00 0.00 55.73 53.12 1gra s ARG 45 Cb -0.35 -4.08 -0.05 0.00 0.06 0.00 0.00 34.95 30.53 1gra s ARG 45 CO 0.45 -1.22 -0.17 0.00 -2.50 0.00 0.00 175.30 171.86 1gra s ALA 46 N 2.75 2.79 0.01 6.12 0.00 -1.26 0.19 121.76 132.37 1gra s ALA 46 Ca 0.17 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.35 1gra s ALA 46 Cb -0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1gra s ALA 46 CO 0.13 0.31 -0.03 0.00 0.00 0.00 0.00 175.76 176.17 1gra s ALA 47 N -2.31 0.22 -0.18 0.00 0.00 -0.87 -1.98 121.76 116.64 1gra s ALA 47 Ca 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1gra s ALA 47 Cb -0.06 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1gra s ALA 47 CO 0.15 -0.03 -0.11 0.08 0.00 0.00 0.00 175.76 175.85 1gra s VAL 48 N -0.73 2.93 -0.17 0.00 1.01 0.16 -1.57 120.40 122.03 1gra s VAL 48 Ca -0.06 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1gra s VAL 48 Cb -0.05 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1gra s VAL 48 CO -0.00 0.48 0.53 -0.69 0.00 0.00 0.00 175.10 175.42 1gra s VAL 49 N 1.10 5.12 -0.05 2.92 1.01 0.48 -0.57 120.40 130.41 1gra s VAL 49 Ca 0.00 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 1gra s VAL 49 Cb -0.14 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.42 1gra s VAL 49 CO -0.03 0.22 0.10 -0.70 0.00 0.00 0.00 175.10 174.69 1gra s GLU 50 N 1.33 0.01 0.18 2.72 2.56 -0.10 -1.10 118.70 124.29 1gra s GLU 50 Ca 0.26 0.38 0.21 0.00 0.00 0.00 0.00 54.97 55.82 1gra s GLU 50 Cb -0.15 -0.29 -0.02 0.00 2.00 0.00 0.00 34.13 35.66 1gra s GLU 50 CO 0.10 -0.24 1.02 0.66 -0.56 0.00 0.00 175.26 176.24 1gra h SER 51 N 7.82 0.00 0.00 -1.70 4.64 -1.81 -0.86 113.55 121.64 1gra h SER 51 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1gra h SER 51 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1gra h SER 51 CO 0.30 0.15 0.00 1.41 -0.87 0.00 0.00 176.83 177.82 1gra n HIS 52 N -2.76 0.00 -4.44 4.77 8.25 -1.26 -4.56 115.22 115.22 1gra n HIS 52 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1gra n HIS 52 Cb 0.62 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.63 1gra n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1gra s LYS 53 N 2.85 2.94 0.64 -0.41 1.02 -1.26 -5.02 119.74 120.49 1gra s LYS 53 Ca 0.00 -0.45 -0.18 0.00 0.02 0.00 0.00 55.97 55.37 1gra s LYS 53 Cb 0.00 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1gra s LYS 53 CO 0.00 0.68 1.23 -0.51 -0.92 0.00 0.00 175.35 175.83 1gra s LEU 54 N -0.83 3.57 0.00 3.17 1.43 -1.26 -2.58 118.68 122.17 1gra s LEU 54 Ca 0.13 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1gra s LEU 54 Cb -0.11 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.51 1gra s LEU 54 CO 0.02 -1.85 0.00 0.61 0.23 0.00 0.00 176.35 175.36 1gra n GLY 55 N 0.58 3.13 7.00 -3.19 0.00 -0.29 -4.71 105.19 107.71 1gra n GLY 55 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1gra n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gra n GLY 56 N -1.44 1.01 0.12 -0.02 0.00 -1.07 -3.04 105.19 100.75 1gra n GLY 56 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 1gra n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1gra h THR 57 N 0.00 1.05 -0.20 2.61 2.02 -1.93 -2.59 112.91 113.87 1gra h THR 57 Ca 0.00 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.12 1gra h THR 57 Cb 0.00 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1gra h THR 57 CO 0.00 0.06 -0.08 0.00 0.37 0.00 0.00 175.52 175.87 1gra h VAL 59 N -0.05 1.37 0.07 0.00 2.07 -1.56 -1.33 116.25 116.82 1gra h VAL 59 Ca 0.11 -1.19 -0.15 0.00 0.82 0.00 0.00 66.70 66.28 1gra h VAL 59 Cb 0.21 2.16 0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1gra h VAL 59 CO -0.24 0.30 -0.63 0.78 0.02 0.00 0.00 177.57 177.81 1gra h ASN 60 N -0.54 0.42 -0.13 0.57 2.35 -1.42 -3.39 115.58 113.45 1gra h ASN 60 Ca -0.00 -0.88 -0.20 0.00 -0.55 0.00 0.00 56.30 54.67 1gra h ASN 60 Cb 0.52 -0.13 -0.39 0.00 0.05 0.00 0.00 38.32 38.36 1gra h ASN 60 CO 0.00 1.27 -1.05 1.33 -1.65 0.00 0.00 177.43 177.33 1gra n VAL 61 N -4.23 0.39 0.00 2.81 0.24 -0.34 -4.83 118.33 112.37 1gra n VAL 61 Ca -0.12 -1.57 0.00 0.00 -2.04 0.00 0.00 64.34 60.61 1gra n VAL 61 Cb 0.72 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 1gra n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gra n GLY 62 N 0.14 4.25 0.39 7.63 0.00 0.49 -4.83 105.19 113.26 1gra n GLY 62 Ca 0.06 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 1gra n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gra h VAL 64 N -0.08 0.00 -0.59 0.00 2.07 -1.52 -1.73 116.25 114.38 1gra h VAL 64 Ca 0.25 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.85 1gra h VAL 64 Cb 0.55 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1gra h VAL 64 CO -0.86 0.00 0.40 1.55 0.02 0.00 0.00 177.57 178.68 1gra h PRO 65 N -0.54 0.37 -0.01 1.57 0.13 -1.75 -1.88 132.00 129.89 1gra h PRO 65 Ca -0.05 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1gra h PRO 65 Cb 0.39 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 1gra h PRO 65 CO 0.09 0.24 0.01 -0.22 -0.23 0.00 0.00 178.00 177.89 1gra h LYS 66 N 0.38 0.02 -0.69 0.86 3.11 -1.38 -2.17 116.57 116.70 1gra h LYS 66 Ca 0.28 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.10 1gra h LYS 66 Cb 0.58 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.77 1gra h LYS 66 CO -0.07 0.10 0.37 -0.22 -2.81 0.00 0.00 179.45 176.82 1gra h LYS 67 N -0.07 0.96 -0.32 1.90 1.63 -0.78 0.20 116.57 120.09 1gra h LYS 67 Ca 0.00 -0.12 0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1gra h LYS 67 Cb 0.09 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 1gra h LYS 67 CO -0.00 0.73 0.13 0.28 -3.45 0.00 0.00 179.45 177.14 1gra h VAL 68 N 0.95 0.94 -0.52 2.00 2.07 -1.27 -0.16 116.25 120.27 1gra h VAL 68 Ca 0.24 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1gra h VAL 68 Cb 0.05 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1gra h VAL 68 CO -0.04 0.05 0.18 0.24 0.02 0.00 0.00 177.57 178.02 1gra h MET 69 N 0.28 0.76 -0.67 1.57 2.86 -0.72 -2.21 114.93 116.80 1gra h MET 69 Ca 0.14 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1gra h MET 69 Cb 0.09 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1gra h MET 69 CO -0.12 0.65 0.23 2.35 1.06 0.00 0.00 176.91 181.07 1gra h TRP 70 N 0.75 1.07 -0.26 -0.22 7.01 -0.10 -0.60 115.95 123.60 1gra h TRP 70 Ca 0.18 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 1gra h TRP 70 Cb 0.19 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1gra h TRP 70 CO 0.01 0.85 -0.06 -0.91 -2.79 0.00 0.00 178.44 175.55 1gra h ASN 71 N 0.97 0.39 -0.18 2.65 2.35 -0.70 0.97 115.58 122.03 1gra h ASN 71 Ca 0.22 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1gra h ASN 71 Cb 0.27 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1gra h ASN 71 CO -0.01 0.50 -0.07 0.74 -1.65 0.00 0.00 177.43 176.93 1gra h THR 72 N 0.39 1.30 -0.51 2.81 2.02 -1.00 -2.06 112.91 115.87 1gra h THR 72 Ca 0.08 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 1gra h THR 72 Cb 0.35 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1gra h THR 72 CO 0.02 0.33 0.01 0.00 0.37 0.00 0.00 175.52 176.24 1gra h ALA 73 N 0.70 1.06 -0.53 6.16 0.00 -0.55 -1.89 119.26 124.22 1gra h ALA 73 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1gra h ALA 73 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1gra h ALA 73 CO 0.02 0.59 0.34 0.28 0.00 0.00 0.00 179.25 180.49 1gra h VAL 74 N 0.79 1.14 -0.50 0.00 2.07 -0.68 -1.31 116.25 117.75 1gra h VAL 74 Ca 0.15 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1gra h VAL 74 Cb 0.46 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1gra h VAL 74 CO 0.02 0.13 0.21 -0.74 0.02 0.00 0.00 177.57 177.22 1gra h HIS 75 N 0.71 0.75 -0.26 1.57 2.76 -0.62 -1.67 115.15 118.39 1gra h HIS 75 Ca 0.19 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1gra h HIS 75 Cb -0.07 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.62 1gra h HIS 75 CO 0.00 0.61 0.03 1.03 -1.30 0.00 0.00 177.93 178.31 1gra h SER 76 N 0.67 -0.03 -0.06 3.26 0.87 -0.83 -1.69 113.55 115.74 1gra h SER 76 Ca 0.17 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1gra h SER 76 Cb 0.17 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1gra h SER 76 CO -0.02 0.02 0.02 -0.33 -0.53 0.00 0.00 176.83 175.99 1gra h GLU 77 N 0.12 0.09 -0.97 2.24 5.08 -1.03 -2.95 114.58 117.17 1gra h GLU 77 Ca 0.12 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1gra h GLU 77 Cb 0.13 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1gra h GLU 77 CO -0.17 0.26 0.64 0.74 -1.00 0.00 0.00 179.01 179.48 1gra h PHE 78 N -0.10 1.21 -0.08 4.33 0.04 -1.28 -0.67 116.94 120.39 1gra h PHE 78 Ca 0.02 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.84 1gra h PHE 78 Cb 0.21 -0.41 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1gra h PHE 78 CO -0.00 0.74 0.13 1.98 -0.60 0.00 0.00 178.31 180.55 1gra h MET 79 N 1.29 0.00 0.00 1.51 1.85 -1.14 0.19 114.93 118.63 1gra h MET 79 Ca 0.37 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.42 1gra h MET 79 Cb -0.10 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 31.92 1gra h MET 79 CO -0.09 0.00 -0.16 0.45 -0.40 0.00 0.00 176.91 176.71 1gra h HIS 80 N 0.00 0.00 -0.02 1.39 3.86 -0.97 -3.04 115.15 116.38 1gra h HIS 80 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1gra h HIS 80 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1gra h HIS 80 CO 0.00 0.16 -0.07 -0.25 0.86 0.00 0.00 177.93 178.63 1gra n ASP 81 N -3.35 2.17 -0.10 2.45 8.00 0.67 -4.53 116.55 121.87 1gra n ASP 81 Ca -0.00 -1.67 -0.06 0.00 0.71 0.00 0.00 54.79 53.77 1gra n ASP 81 Cb 0.37 0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1gra n ASP 81 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1gra h HIS 82 N 3.30 -0.10 -0.49 1.24 2.76 -1.44 -1.89 115.15 118.52 1gra h HIS 82 Ca 0.00 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1gra h HIS 82 Cb 0.75 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 1gra h HIS 82 CO 0.00 -0.11 0.03 0.00 -1.30 0.00 0.00 177.93 176.55 1gra h ALA 83 N 1.32 1.13 0.00 5.26 0.00 -1.80 -2.17 119.26 123.00 1gra h ALA 83 Ca 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gra h ALA 83 Cb 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1gra h ALA 83 CO -0.32 0.56 -0.12 -0.44 0.00 0.00 0.00 179.25 178.93 1gra h ASP 84 N 0.76 0.00 -0.36 0.00 3.32 -1.65 -1.76 116.42 116.73 1gra h ASP 84 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1gra h ASP 84 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1gra h ASP 84 CO 0.01 0.12 0.00 -1.22 -1.72 0.00 0.00 179.24 176.44 1gra n TYR 85 N -4.32 0.68 -0.35 4.55 4.01 -0.90 -4.89 117.16 115.94 1gra n TYR 85 Ca -0.03 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1gra n TYR 85 Cb 0.20 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1gra n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gra n GLY 86 N 0.88 0.81 3.83 2.72 0.00 -0.66 -5.05 105.19 107.72 1gra n GLY 86 Ca 0.13 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1gra n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gra s PHE 87 N -2.00 2.54 0.35 1.61 0.08 -0.87 -5.02 117.98 114.67 1gra s PHE 87 Ca 0.00 -0.57 -0.19 0.00 0.12 0.00 0.00 56.93 56.29 1gra s PHE 87 Cb 0.00 -2.07 -0.10 0.00 -0.57 0.00 0.00 43.02 40.29 1gra s PHE 87 CO 0.00 -0.06 0.83 -2.14 -0.10 0.00 0.00 175.22 173.76 1gra s PRO 88 N -4.07 4.17 0.28 0.24 0.02 -1.26 -3.89 135.00 130.49 1gra s PRO 88 Ca 0.44 0.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.08 1gra s PRO 88 Cb -0.01 -2.41 -0.12 0.00 0.02 0.00 0.00 34.50 31.98 1gra s PRO 88 CO 0.25 0.12 1.47 0.45 -0.33 0.00 0.00 177.00 178.96 1gra n SER 89 N -0.28 3.24 -4.67 2.53 2.88 -1.26 -4.63 113.62 111.43 1gra n SER 89 Ca 0.04 1.16 -0.39 0.00 -1.33 0.00 0.00 58.87 58.35 1gra n SER 89 Cb 0.53 -1.51 -0.07 0.00 -0.75 0.00 0.00 64.21 62.41 1gra n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gra h GLU 91 N 7.34 0.00 0.00 0.00 4.11 -1.97 -3.50 114.58 120.57 1gra h GLU 91 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1gra h GLU 91 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1gra h GLU 91 CO 0.73 0.61 0.00 0.41 0.07 0.00 0.00 179.01 180.84 1gra n GLY 92 N 1.34 3.41 3.67 1.06 0.00 -1.26 -5.07 105.19 108.33 1gra n GLY 92 Ca -0.03 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 1gra n GLY 92 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gra n LYS 93 N 0.00 2.71 -2.36 1.61 2.85 -1.26 -4.99 118.16 116.72 1gra n LYS 93 Ca 0.00 0.99 -0.40 0.00 -1.05 0.00 0.00 58.31 57.85 1gra n LYS 93 Cb 0.00 -2.93 -0.04 0.00 -0.65 0.00 0.00 35.03 31.42 1gra n LYS 93 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1gra s PHE 94 N 4.35 3.41 -0.36 5.58 5.36 -1.26 -5.00 117.98 130.05 1gra s PHE 94 Ca 0.90 1.61 -0.05 0.00 -0.96 0.00 0.00 56.93 58.43 1gra s PHE 94 Cb -0.50 -3.41 0.07 0.00 -0.34 0.00 0.00 43.02 38.84 1gra s PHE 94 CO 0.44 -0.97 0.13 1.21 -1.46 0.00 0.00 175.22 174.58 1gra s ASN 95 N -0.75 5.24 0.15 6.13 3.84 -1.26 -4.97 114.94 123.32 1gra s ASN 95 Ca 0.46 -1.51 -0.16 0.00 0.21 0.00 0.00 52.86 51.85 1gra s ASN 95 Cb -0.34 -1.83 0.02 0.00 -0.55 0.00 0.00 41.25 38.54 1gra s ASN 95 CO 0.45 -0.41 1.79 -0.25 -2.79 0.00 0.00 177.10 175.89 1gra h TRP 96 N 8.14 0.40 0.00 0.43 2.91 -1.95 -2.98 115.95 122.90 1gra h TRP 96 Ca -0.19 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.83 1gra h TRP 96 Cb 1.07 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.59 1gra h TRP 96 CO 0.59 0.23 -0.04 0.07 -1.03 0.00 0.00 178.44 178.27 1gra h ARG 97 N 0.44 0.00 -0.13 2.65 0.11 -1.94 0.11 114.38 115.62 1gra h ARG 97 Ca 0.14 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.20 1gra h ARG 97 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1gra h ARG 97 CO -0.07 0.04 -0.01 0.28 0.10 0.00 0.00 179.97 180.31 1gra h VAL 98 N 0.00 1.26 0.03 0.08 2.07 -1.91 -1.40 116.25 116.39 1gra h VAL 98 Ca -0.00 -0.87 -0.22 0.00 0.82 0.00 0.00 66.70 66.43 1gra h VAL 98 Cb 0.36 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1gra h VAL 98 CO 0.00 0.25 -1.00 -0.29 0.02 0.00 0.00 177.57 176.56 1gra h ILE 99 N -0.04 1.58 -0.57 4.57 6.09 -1.56 -3.06 117.51 124.52 1gra h ILE 99 Ca 0.04 -3.01 -0.01 0.00 -1.37 0.00 0.00 64.86 60.50 1gra h ILE 99 Cb 0.39 2.71 -0.03 0.00 0.47 0.00 0.00 36.82 40.37 1gra h ILE 99 CO 0.01 0.87 0.30 0.50 -3.07 0.00 0.00 178.15 176.76 1gra h LYS 100 N 0.05 0.80 -0.80 2.19 3.64 -0.62 -0.40 116.57 121.42 1gra h LYS 100 Ca -0.05 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1gra h LYS 100 Cb 1.70 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.33 1gra h LYS 100 CO 0.15 0.62 0.44 0.93 -2.27 0.00 0.00 179.45 179.32 1gra h GLU 101 N 0.77 1.12 -0.26 1.90 5.08 -1.28 -1.31 114.58 120.59 1gra h GLU 101 Ca 0.20 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1gra h GLU 101 Cb 0.07 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1gra h GLU 101 CO -0.03 0.82 -0.39 0.87 -1.00 0.00 0.00 179.01 179.29 1gra h LYS 102 N 1.12 0.60 -0.18 2.33 1.57 -1.38 -2.05 116.57 118.57 1gra h LYS 102 Ca 0.28 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1gra h LYS 102 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1gra h LYS 102 CO -0.05 0.89 0.04 -0.09 -0.57 0.00 0.00 179.45 179.67 1gra h ARG 103 N 0.49 0.29 -1.01 3.15 2.43 -0.86 -2.25 114.38 116.63 1gra h ARG 103 Ca 0.05 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1gra h ARG 103 Cb 0.89 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 1gra h ARG 103 CO 0.08 0.43 0.67 -0.44 -1.51 0.00 0.00 179.97 179.20 1gra h ASP 104 N 0.11 1.16 -0.71 -3.80 3.32 -1.13 -1.81 116.42 113.55 1gra h ASP 104 Ca 0.06 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1gra h ASP 104 Cb 0.27 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1gra h ASP 104 CO 0.00 0.84 0.33 0.00 -1.72 0.00 0.00 179.24 178.69 1gra h ALA 105 N 1.37 0.92 -0.73 3.45 0.00 -1.26 -1.78 119.26 121.23 1gra h ALA 105 Ca 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1gra h ALA 105 Cb -0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 1gra h ALA 105 CO -0.08 0.50 0.32 -0.92 0.00 0.00 0.00 179.25 179.07 1gra h TYR 106 N 1.00 1.08 -0.67 0.00 3.20 -0.91 -0.89 116.97 119.79 1gra h TYR 106 Ca 0.24 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1gra h TYR 106 Cb 0.14 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1gra h TYR 106 CO 0.01 0.81 0.29 0.28 -1.64 0.00 0.00 178.16 177.91 1gra h VAL 107 N 1.03 1.22 -0.78 1.81 2.07 -1.07 -1.95 116.25 118.59 1gra h VAL 107 Ca 0.25 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1gra h VAL 107 Cb 0.16 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1gra h VAL 107 CO -0.03 0.27 0.30 0.28 0.02 0.00 0.00 177.57 178.42 1gra h SER 108 N 0.95 1.08 -0.66 0.57 0.02 -0.49 -0.26 113.55 114.76 1gra h SER 108 Ca 0.23 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1gra h SER 108 Cb 0.14 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1gra h SER 108 CO -0.02 0.96 0.41 0.03 -1.14 0.00 0.00 176.83 177.07 1gra h ARG 109 N 1.13 0.77 -0.33 3.45 3.08 -0.79 -2.39 114.38 119.30 1gra h ARG 109 Ca 0.26 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.11 1gra h ARG 109 Cb 0.23 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1gra h ARG 109 CO -0.02 0.51 -0.39 -0.07 -1.07 0.00 0.00 179.97 178.93 1gra h LEU 110 N 0.80 0.86 -1.17 3.04 3.38 -0.96 -1.72 115.31 119.54 1gra h LEU 110 Ca 0.27 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1gra h LEU 110 Cb 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1gra h LEU 110 CO -0.11 1.15 0.56 0.78 0.09 0.00 0.00 178.44 180.91 1gra h ASN 111 N 0.66 0.94 -0.06 -0.43 -0.26 -0.70 -1.63 115.58 114.10 1gra h ASN 111 Ca 0.05 -0.01 -0.16 0.00 -0.56 0.00 0.00 56.30 55.62 1gra h ASN 111 Cb 0.96 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1gra h ASN 111 CO 0.09 0.66 -0.51 0.00 -1.06 0.00 0.00 177.43 176.61 1gra h ALA 112 N 1.49 0.69 -0.64 -0.83 0.00 -0.93 -2.67 119.26 116.37 1gra h ALA 112 Ca 0.33 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gra h ALA 112 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1gra h ALA 112 CO -0.09 0.68 0.38 0.82 0.00 0.00 0.00 179.25 181.04 1gra h ILE 113 N 0.49 1.19 -0.07 0.00 2.04 -0.87 -1.74 117.51 118.55 1gra h ILE 113 Ca 0.02 -0.43 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 1gra h ILE 113 Cb 1.05 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1gra h ILE 113 CO 0.10 0.20 -0.58 1.88 0.00 0.00 0.00 178.15 179.75 1gra h TYR 114 N 0.87 0.29 -0.38 1.37 0.05 -1.19 0.87 116.97 118.85 1gra h TYR 114 Ca 0.23 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 1gra h TYR 114 Cb -0.02 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1gra h TYR 114 CO -0.02 0.76 0.02 0.37 -1.05 0.00 0.00 178.16 178.24 1gra h GLN 115 N 0.17 0.66 -0.87 4.88 4.15 -1.34 -2.23 115.11 120.54 1gra h GLN 115 Ca -0.00 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 1gra h GLN 115 Cb 1.07 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1gra h GLN 115 CO 0.09 0.75 0.44 -0.97 -1.93 0.00 0.00 178.83 177.21 1gra h ASN 116 N 0.49 1.12 -0.65 -0.69 -0.00 -0.87 -1.84 115.58 113.15 1gra h ASN 116 Ca 0.11 -0.12 0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1gra h ASN 116 Cb 0.44 -0.29 -0.03 0.00 -0.00 0.00 0.00 38.32 38.44 1gra h ASN 116 CO 0.02 0.93 0.43 0.78 -0.00 0.00 0.00 177.43 179.58 1gra h ASN 117 N 1.23 0.75 -0.11 1.15 -0.26 -0.55 -0.72 115.58 117.07 1gra h ASN 117 Ca 0.30 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.93 1gra h ASN 117 Cb 0.09 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1gra h ASN 117 CO -0.04 0.55 -0.29 -0.07 -1.06 0.00 0.00 177.43 176.52 1gra h LEU 118 N 0.89 0.45 -0.50 1.61 3.38 -0.97 -3.07 115.31 117.08 1gra h LEU 118 Ca 0.24 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1gra h LEU 118 Cb -0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1gra h LEU 118 CO -0.05 0.95 0.31 0.71 0.09 0.00 0.00 178.44 180.46 1gra h THR 119 N -0.03 1.15 0.00 0.22 1.35 -0.69 -0.94 112.91 113.96 1gra h THR 119 Ca -0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 1gra h THR 119 Cb 0.90 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1gra h THR 119 CO 0.06 0.15 -0.04 0.11 -0.25 0.00 0.00 175.52 175.55 1gra h LYS 120 N 0.68 0.00 -0.01 4.72 1.57 -1.20 0.18 116.57 122.50 1gra h LYS 120 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1gra h LYS 120 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1gra h LYS 120 CO -0.04 0.04 -0.18 0.43 -0.57 0.00 0.00 179.45 179.13 1gra n SER 121 N -3.69 1.50 -1.79 0.86 7.64 -0.57 -4.93 113.62 112.65 1gra n SER 121 Ca -0.03 -1.27 -0.13 0.00 1.01 0.00 0.00 58.87 58.45 1gra n SER 121 Cb 0.13 0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 1gra n SER 121 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1gra n HIS 122 N -0.11 -1.08 -3.47 1.43 8.25 0.05 -4.91 115.22 115.38 1gra n HIS 122 Ca 0.14 0.28 -0.37 0.00 -0.26 0.00 0.00 57.72 57.51 1gra n HIS 122 Cb 0.39 -2.98 -0.07 0.00 1.12 0.00 0.00 29.99 28.45 1gra n HIS 122 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1gra s ILE 123 N -2.87 5.25 0.30 1.59 1.01 -0.47 -4.73 121.20 121.28 1gra s ILE 123 Ca 0.16 0.69 -0.28 0.00 0.00 0.00 0.00 60.65 61.23 1gra s ILE 123 Cb -0.07 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 1gra s ILE 123 CO 0.20 0.40 1.00 -0.70 0.00 0.00 0.00 174.94 175.83 1gra s GLU 124 N 0.32 4.59 -0.26 2.79 2.12 -0.84 -4.43 118.70 122.99 1gra s GLU 124 Ca 0.20 1.52 -0.03 0.00 0.36 0.00 0.00 54.97 57.03 1gra s GLU 124 Cb -0.14 -2.97 0.02 0.00 0.26 0.00 0.00 34.13 31.30 1gra s GLU 124 CO 0.07 0.25 -0.03 0.42 -0.54 0.00 0.00 175.26 175.43 1gra s ILE 125 N -1.40 3.12 -0.31 -3.70 1.01 -1.26 0.38 121.20 119.04 1gra s ILE 125 Ca 0.48 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 1gra s ILE 125 Cb -0.24 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 1gra s ILE 125 CO 0.31 0.16 0.20 -0.63 0.00 0.00 0.00 174.94 174.98 1gra s ILE 126 N 1.36 5.07 -0.16 2.92 1.01 0.27 -4.95 121.20 126.72 1gra s ILE 126 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 1gra s ILE 126 Cb -0.17 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1gra s ILE 126 CO -0.03 0.09 0.49 -0.13 0.00 0.00 0.00 174.94 175.37 1gra s ARG 127 N 1.70 4.26 0.00 2.79 0.52 -1.26 -0.93 118.95 126.03 1gra s ARG 127 Ca 0.06 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1gra s ARG 127 Cb -0.17 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.80 1gra s ARG 127 CO 0.09 -0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.82 1gra n GLY 128 N 3.61 0.94 3.66 -3.53 0.00 -0.33 -4.92 105.19 104.62 1gra n GLY 128 Ca -0.06 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1gra n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gra s HIS 129 N -1.17 3.33 0.20 1.61 2.46 -1.26 -2.75 115.29 117.72 1gra s HIS 129 Ca 0.00 0.35 -0.08 0.00 0.47 0.00 0.00 55.06 55.79 1gra s HIS 129 Cb 0.00 -2.36 -0.07 0.00 -0.13 0.00 0.00 32.58 30.02 1gra s HIS 129 CO 0.00 0.02 0.50 0.00 -2.47 0.00 0.00 174.74 172.79 1gra s ALA 130 N 1.20 3.63 -0.05 1.58 0.00 -1.26 -4.41 121.76 122.44 1gra s ALA 130 Ca 0.11 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 1gra s ALA 130 Cb -0.14 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1gra s ALA 130 CO 0.06 0.56 0.29 0.00 0.00 0.00 0.00 175.76 176.66 1gra s ALA 131 N -1.76 -0.72 0.69 0.00 0.00 -1.07 -4.67 121.76 114.23 1gra s ALA 131 Ca 0.45 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 1gra s ALA 131 Cb -0.11 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1gra s ALA 131 CO 0.22 -0.21 1.09 -0.06 0.00 0.00 0.00 175.76 176.80 1gra s PHE 132 N -0.76 2.75 0.46 0.00 0.08 0.14 -0.75 117.98 119.90 1gra s PHE 132 Ca -0.08 1.53 0.07 0.00 0.12 0.00 0.00 56.93 58.56 1gra s PHE 132 Cb -0.04 -3.06 -0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1gra s PHE 132 CO 0.02 -1.56 0.35 0.95 -0.10 0.00 0.00 175.22 174.89 1gra s THR 133 N -2.65 2.21 -0.04 0.64 -4.23 -0.09 -4.77 115.64 106.70 1gra s THR 133 Ca 0.63 -1.47 0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1gra s THR 133 Cb -0.18 -2.68 0.35 0.00 1.34 0.00 0.00 72.50 71.33 1gra s THR 133 CO 0.48 0.00 1.85 0.77 -0.54 0.00 0.00 174.62 177.17 1gra h SER 134 N 1.00 0.00 -2.02 3.99 4.64 -1.88 -3.43 113.55 115.85 1gra h SER 134 Ca -0.40 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.30 1gra h SER 134 Cb 1.28 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.48 1gra h SER 134 CO 0.60 0.05 -0.11 0.47 -0.87 0.00 0.00 176.83 176.97 1gra n ASP 135 N -3.14 0.37 0.00 4.97 8.00 -1.26 -4.92 116.55 120.57 1gra n ASP 135 Ca 0.01 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.66 1gra n ASP 135 Cb 0.40 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 1gra n ASP 135 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1gra n PRO 136 N 0.79 0.00 -2.19 -0.24 -0.02 -1.26 -4.29 135.00 127.79 1gra n PRO 136 Ca 0.12 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 1gra n PRO 136 Cb 0.30 -1.45 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 1gra n PRO 136 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1gra s LYS 137 N -2.79 4.36 -0.27 -0.52 -2.85 -1.26 -4.85 119.74 111.56 1gra s LYS 137 Ca 0.00 2.08 -0.38 0.00 -1.00 0.00 0.00 55.97 56.67 1gra s LYS 137 Cb 0.00 -3.21 -0.14 0.00 -2.06 0.00 0.00 37.83 32.42 1gra s LYS 137 CO 0.00 -0.33 1.89 -2.30 0.10 0.00 0.00 175.35 174.71 1gra n PRO 138 N 3.06 1.28 -3.94 1.78 -0.02 -1.26 -4.93 135.00 130.97 1gra n PRO 138 Ca 0.08 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1gra n PRO 138 Cb 0.42 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 1gra n PRO 138 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1gra s THR 139 N 4.61 0.07 0.26 3.45 2.01 -1.26 -4.37 115.64 120.41 1gra s THR 139 Ca 1.01 -0.57 0.11 0.00 0.31 0.00 0.00 61.69 62.55 1gra s THR 139 Cb -0.97 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 1gra s THR 139 CO 0.60 -0.31 -0.11 0.27 -0.69 0.00 0.00 174.62 174.37 1gra s ILE 140 N -0.91 2.93 -0.05 1.82 -4.36 -0.65 -0.92 121.20 119.07 1gra s ILE 140 Ca -0.10 -2.11 0.06 0.00 -0.26 0.00 0.00 60.65 58.24 1gra s ILE 140 Cb -0.06 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 1gra s ILE 140 CO -0.01 -0.34 -0.22 -0.70 0.24 0.00 0.00 174.94 173.92 1gra s GLU 141 N -3.44 2.16 -0.20 0.37 2.12 0.07 -1.01 118.70 118.75 1gra s GLU 141 Ca 0.29 -0.78 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 1gra s GLU 141 Cb -0.06 -1.87 0.07 0.00 0.26 0.00 0.00 34.13 32.52 1gra s GLU 141 CO 0.17 0.34 0.08 0.08 -0.54 0.00 0.00 175.26 175.39 1gra s VAL 142 N -0.13 0.16 -1.05 3.70 1.01 -0.40 -2.61 120.40 121.09 1gra s VAL 142 Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1gra s VAL 142 Cb -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1gra s VAL 142 CO 0.03 -0.35 0.89 -1.20 0.00 0.00 0.00 175.10 174.46 1gra n SER 143 N 5.18 -3.19 0.00 3.32 7.64 -1.26 -2.70 113.62 122.60 1gra n SER 143 Ca -0.07 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1gra n SER 143 Cb 0.47 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 1gra n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gra n GLY 144 N -1.32 3.00 3.86 0.23 0.00 -1.26 -5.00 105.19 104.71 1gra n GLY 144 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1gra n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gra s LYS 145 N -0.01 3.81 0.05 1.61 -0.14 -1.10 -5.08 119.74 118.88 1gra s LYS 145 Ca 0.00 0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 1gra s LYS 145 Cb 0.00 -2.97 -0.04 0.00 -1.68 0.00 0.00 37.83 33.14 1gra s LYS 145 CO 0.00 0.53 0.19 0.15 -0.76 0.00 0.00 175.35 175.46 1gra s LYS 146 N -1.96 3.35 0.01 1.68 1.02 -1.26 -1.27 119.74 121.31 1gra s LYS 146 Ca 0.35 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.85 1gra s LYS 146 Cb -0.14 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1gra s LYS 146 CO 0.19 0.61 0.03 0.71 -0.92 0.00 0.00 175.35 175.97 1gra s TYR 147 N -1.47 0.14 0.12 3.18 1.51 -0.18 -2.89 117.35 117.76 1gra s TYR 147 Ca 0.33 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 56.03 1gra s TYR 147 Cb -0.13 -0.11 -0.01 0.00 -0.11 0.00 0.00 41.96 41.60 1gra s TYR 147 CO 0.26 -0.19 0.19 -0.08 -1.11 0.00 0.00 175.55 174.62 1gra s THR 148 N -1.15 0.12 -0.08 -0.71 -1.32 -0.46 -1.63 115.64 110.41 1gra s THR 148 Ca -0.12 -1.38 -0.30 0.00 -1.21 0.00 0.00 61.69 58.68 1gra s THR 148 Cb -0.07 -1.60 0.10 0.00 -1.51 0.00 0.00 72.50 69.41 1gra s THR 148 CO -0.00 -0.54 0.84 0.00 -2.21 0.00 0.00 174.62 172.71 1gra s ALA 149 N -3.92 -1.84 -0.71 11.08 0.00 -1.26 -1.39 121.76 123.72 1gra s ALA 149 Ca 0.11 1.35 0.22 0.00 0.00 0.00 0.00 51.96 53.64 1gra s ALA 149 Cb 0.05 -0.21 0.87 0.00 0.00 0.00 0.00 23.12 23.83 1gra s ALA 149 CO -0.06 -0.40 1.66 -0.35 0.00 0.00 0.00 175.76 176.61 1gra n PRO 150 N 0.62 0.13 -3.75 0.00 -0.04 -1.26 -4.52 135.00 126.19 1gra n PRO 150 Ca -0.14 0.31 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 1gra n PRO 150 Cb 0.58 -1.73 -0.17 0.00 -0.04 0.00 0.00 33.50 32.14 1gra n PRO 150 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1gra s HIS 151 N -3.17 0.63 -0.15 0.54 3.76 -1.25 -4.55 115.29 111.10 1gra s HIS 151 Ca 0.07 -0.22 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 1gra s HIS 151 Cb 0.10 -0.79 0.02 0.00 1.11 0.00 0.00 32.58 33.02 1gra s HIS 151 CO 0.39 -0.36 -0.19 0.42 -0.85 0.00 0.00 174.74 174.15 1gra s ILE 152 N 1.99 1.89 -0.23 0.60 1.01 -0.22 -2.28 121.20 123.96 1gra s ILE 152 Ca 0.04 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1gra s ILE 152 Cb -0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1gra s ILE 152 CO -0.06 0.51 0.13 -0.22 0.00 0.00 0.00 174.94 175.31 1gra s LEU 153 N 1.11 4.01 -0.30 2.97 2.96 0.13 -1.11 118.68 128.44 1gra s LEU 153 Ca -0.01 0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.83 1gra s LEU 153 Cb -0.14 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1gra s LEU 153 CO -0.07 0.09 0.38 -0.63 -1.32 0.00 0.00 176.35 174.80 1gra s ILE 154 N 0.91 5.15 -0.34 6.68 1.01 0.60 -0.26 121.20 134.96 1gra s ILE 154 Ca 0.07 0.38 0.16 0.00 0.00 0.00 0.00 60.65 61.26 1gra s ILE 154 Cb -0.13 -3.76 0.44 0.00 0.01 0.00 0.00 42.46 39.01 1gra s ILE 154 CO 0.03 0.04 0.91 0.00 0.00 0.00 0.00 174.94 175.92 1gra n ALA 155 N 5.39 3.20 1.91 9.38 0.00 0.20 -2.75 120.51 137.85 1gra n ALA 155 Ca -0.08 -3.24 0.16 0.00 0.00 0.00 0.00 53.44 50.27 1gra n ALA 155 Cb 0.50 -0.92 0.91 0.00 0.00 0.00 0.00 19.45 19.94 1gra n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gra n THR 156 N -0.01 0.00 -4.70 0.00 -2.24 -1.19 -4.37 114.28 101.78 1gra n THR 156 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1gra n THR 156 Cb 0.78 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1gra n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gra n GLY 157 N 0.99 0.47 0.00 3.38 0.00 -1.26 -4.64 105.19 104.14 1gra n GLY 157 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1gra n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gra n GLY 158 N 0.00 4.54 3.51 -0.02 0.00 -1.26 -1.42 105.19 110.54 1gra n GLY 158 Ca 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 1gra n GLY 158 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gra s MET 159 N 0.31 1.37 0.34 1.61 -1.94 0.11 -4.73 119.30 116.37 1gra s MET 159 Ca 0.00 -0.95 -0.27 0.00 -1.71 0.00 0.00 55.69 52.76 1gra s MET 159 Cb 0.00 0.50 -0.09 0.00 2.01 0.00 0.00 34.83 37.24 1gra s MET 159 CO 0.00 -0.57 1.13 -2.14 -0.01 0.00 0.00 175.02 173.42 1gra s PRO 160 N -3.90 4.35 -0.01 2.03 0.02 -1.26 0.13 135.00 136.35 1gra s PRO 160 Ca 0.12 1.79 -0.20 0.00 0.02 0.00 0.00 61.00 62.73 1gra s PRO 160 Cb -0.00 -2.90 -0.05 0.00 0.02 0.00 0.00 34.50 31.57 1gra s PRO 160 CO -0.01 -0.05 0.58 0.45 -0.33 0.00 0.00 177.00 177.64 1gra s SER 161 N -1.06 6.95 0.07 2.53 0.15 -0.53 -4.63 113.70 117.18 1gra s SER 161 Ca 0.51 1.14 0.05 0.00 0.70 0.00 0.00 55.95 58.35 1gra s SER 161 Cb -0.30 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1gra s SER 161 CO 0.39 0.11 -0.15 0.42 1.20 0.00 0.00 173.24 175.21 1gra s THR 162 N -0.22 1.14 0.65 6.45 -4.23 -1.26 -4.56 115.64 113.62 1gra s THR 162 Ca 0.30 -1.30 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 1gra s THR 162 Cb -0.18 -1.09 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1gra s THR 162 CO 0.17 -0.20 1.07 -2.84 -0.54 0.00 0.00 174.62 172.28 1gra s PRO 163 N -1.71 3.00 0.11 3.99 0.02 -1.26 -5.02 135.00 134.12 1gra s PRO 163 Ca -0.01 1.18 -0.27 0.00 0.02 0.00 0.00 61.00 61.92 1gra s PRO 163 Cb -0.10 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 1gra s PRO 163 CO 0.02 -1.07 0.84 -1.01 -0.33 0.00 0.00 177.00 175.46 1gra s HIS 164 N -2.62 3.82 0.54 6.54 3.76 -1.26 -4.74 115.29 121.33 1gra s HIS 164 Ca 0.63 1.65 0.26 0.00 -0.15 0.00 0.00 55.06 57.45 1gra s HIS 164 Cb -0.17 -2.89 1.42 0.00 1.11 0.00 0.00 32.58 32.05 1gra s HIS 164 CO 0.44 0.32 1.99 1.49 -0.85 0.00 0.00 174.74 178.13 1gra h GLU 165 N 5.20 0.00 -0.82 1.40 4.57 -1.96 0.16 114.58 123.13 1gra h GLU 165 Ca -0.44 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.75 1gra h GLU 165 Cb 1.21 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 1gra h GLU 165 CO 0.70 0.00 0.54 0.66 -1.18 0.00 0.00 179.01 179.73 1gra h SER 166 N 0.00 0.93 0.18 1.04 4.64 -2.00 -3.04 113.55 115.31 1gra h SER 166 Ca 0.26 -0.02 -0.31 0.00 -0.47 0.00 0.00 61.79 61.24 1gra h SER 166 Cb 1.06 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.86 1gra h SER 166 CO -0.00 0.67 -2.11 0.00 -0.87 0.00 0.00 176.83 174.52 1gra n GLN 167 N -4.41 0.67 -3.63 4.77 10.64 0.29 -4.79 117.38 120.91 1gra n GLN 167 Ca 0.09 0.08 -0.29 0.00 -1.83 0.00 0.00 57.00 55.05 1gra n GLN 167 Cb 0.03 -1.62 -0.15 0.00 -0.86 0.00 0.00 30.24 27.65 1gra n GLN 167 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1gra s ILE 168 N -2.61 0.45 0.19 -0.39 1.01 0.26 -4.98 121.20 115.13 1gra s ILE 168 Ca -0.08 -1.20 -0.31 0.00 0.00 0.00 0.00 60.65 59.06 1gra s ILE 168 Cb 0.07 -1.36 -0.10 0.00 0.01 0.00 0.00 42.46 41.08 1gra s ILE 168 CO 0.83 -0.73 1.58 -2.84 0.00 0.00 0.00 174.94 173.78 1gra s PRO 169 N 1.73 4.20 0.00 2.79 0.02 -1.15 -1.35 135.00 141.24 1gra s PRO 169 Ca 0.10 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1gra s PRO 169 Cb -0.17 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1gra s PRO 169 CO -0.27 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 1gra n GLY 170 N 3.50 0.64 0.25 0.52 0.00 -1.26 -0.76 105.19 108.08 1gra n GLY 170 Ca 0.13 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1gra n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gra h ALA 171 N 0.00 1.72 0.00 4.61 0.00 -1.50 -2.15 119.26 121.94 1gra h ALA 171 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gra h ALA 171 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1gra h ALA 171 CO 0.00 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 1gra n SER 172 N -4.25 0.00 0.15 0.00 3.41 -1.26 -2.03 113.62 109.64 1gra n SER 172 Ca -0.03 0.30 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1gra n SER 172 Cb 0.18 -0.39 0.36 0.00 -0.26 0.00 0.00 64.21 64.09 1gra n SER 172 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gra h LEU 173 N 0.00 0.00-10.34 1.04 3.38 -1.78 -3.45 115.31 104.16 1gra h LEU 173 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1gra h LEU 173 Cb 0.17 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.94 1gra h LEU 173 CO 0.00 0.00 -0.10 -0.83 0.09 0.00 0.00 178.44 177.60 1gra s GLY 174 N -3.81 1.54 0.51 0.83 0.00 -0.86 -4.76 107.32 100.76 1gra s GLY 174 Ca 0.08 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.83 1gra s GLY 174 CO 0.60 -0.86 0.29 -0.26 0.00 0.00 0.00 173.10 172.86 1gra s ILE 175 N -2.53 1.72 0.21 0.90 -4.36 0.54 -4.92 121.20 112.76 1gra s ILE 175 Ca 0.47 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 1gra s ILE 175 Cb -0.10 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.28 1gra s ILE 175 CO 0.38 0.00 0.02 0.35 0.24 0.00 0.00 174.94 175.92 1gra n THR 176 N -1.57 0.00 0.28 8.37 -2.24 -1.26 -0.79 114.28 117.07 1gra n THR 176 Ca -0.05 -1.00 0.13 0.00 -2.27 0.00 0.00 64.05 60.86 1gra n THR 176 Cb 0.65 0.16 0.81 0.00 -2.10 0.00 0.00 70.33 69.84 1gra n THR 176 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1gra h SER 177 N 0.49 0.00 -0.49 3.42 4.64 -1.98 -0.49 113.55 119.14 1gra h SER 177 Ca -0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1gra h SER 177 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1gra h SER 177 CO 0.29 0.00 0.17 0.44 -0.87 0.00 0.00 176.83 176.86 1gra h ASP 178 N 0.00 0.69 0.12 4.97 5.19 -1.95 -2.33 116.42 123.12 1gra h ASP 178 Ca 0.01 -0.19 -0.08 0.00 -0.62 0.00 0.00 57.03 56.15 1gra h ASP 178 Cb 0.03 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 1gra h ASP 178 CO -0.00 0.70 -0.27 1.23 -3.12 0.00 0.00 179.24 177.78 1gra h GLY 179 N 0.65 0.26 0.82 2.75 0.00 -1.51 -2.52 103.07 103.52 1gra h GLY 179 Ca 0.16 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.36 1gra h GLY 179 CO -0.01 0.19 0.58 -2.75 0.00 0.00 0.00 176.54 174.55 1gra h PHE 180 N 0.22 1.02 0.00 5.60 3.57 -0.66 -0.98 116.94 125.71 1gra h PHE 180 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1gra h PHE 180 Cb 0.60 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1gra h PHE 180 CO 0.01 0.51 0.00 1.19 -2.23 0.00 0.00 178.31 177.79 1gra n PHE 181 N -4.50 0.00 0.87 0.41 3.72 -0.95 -2.61 117.46 114.39 1gra n PHE 181 Ca 0.14 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.63 1gra n PHE 181 Cb 0.23 -0.19 -0.10 0.00 -0.94 0.00 0.00 39.48 38.47 1gra n PHE 181 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1gra n GLN 182 N -1.19 0.93 -1.79 -1.08 6.02 -0.39 -4.99 117.38 114.88 1gra n GLN 182 Ca 0.17 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.75 1gra n GLN 182 Cb 0.20 -1.37 0.01 0.00 1.02 0.00 0.00 30.24 30.10 1gra n GLN 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1gra s LEU 183 N -2.86 4.17 -0.00 1.08 1.43 -1.07 -4.91 118.68 116.51 1gra s LEU 183 Ca 0.07 2.97 0.11 0.00 -1.03 0.00 0.00 54.13 56.24 1gra s LEU 183 Cb 0.14 -3.86 -0.13 0.00 0.03 0.00 0.00 46.19 42.37 1gra s LEU 183 CO 0.75 -1.10 0.41 -0.62 0.23 0.00 0.00 176.35 176.03 1gra n GLU 184 N -0.02 2.79 -4.14 1.70 1.02 -1.26 -4.99 120.64 115.75 1gra n GLU 184 Ca 0.04 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.04 1gra n GLU 184 Cb 0.41 -1.06 -0.11 0.00 -0.02 0.00 0.00 31.44 30.66 1gra n GLU 184 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1gra s GLU 185 N -2.18 0.74 -0.06 3.49 0.41 -1.26 -4.14 118.70 115.70 1gra s GLU 185 Ca 0.02 -1.12 -0.30 0.00 -0.41 0.00 0.00 54.97 53.16 1gra s GLU 185 Cb 0.08 -0.29 -0.04 0.00 -1.78 0.00 0.00 34.13 32.10 1gra s GLU 185 CO 0.45 0.02 1.27 -1.17 -0.49 0.00 0.00 175.26 175.34 1gra s LEU 186 N -2.47 4.27 0.33 1.80 2.96 -1.26 -4.97 118.68 119.33 1gra s LEU 186 Ca 0.04 1.88 -0.29 0.00 -0.22 0.00 0.00 54.13 55.54 1gra s LEU 186 Cb -0.01 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 1gra s LEU 186 CO -0.02 -0.66 1.29 -2.16 -1.32 0.00 0.00 176.35 173.47 1gra s PRO 187 N 2.54 4.39 0.06 0.98 0.04 -1.26 -4.94 135.00 136.81 1gra s PRO 187 Ca 0.58 2.17 -0.20 0.00 0.04 0.00 0.00 61.00 63.59 1gra s PRO 187 Cb -0.26 -3.08 -0.12 0.00 0.04 0.00 0.00 34.50 31.08 1gra s PRO 187 CO 0.22 -0.15 1.45 0.78 0.04 0.00 0.00 177.00 179.35 1gra h GLY 188 N 3.44 0.36 -6.15 0.56 0.00 -1.94 -3.40 103.07 95.94 1gra h GLY 188 Ca -0.49 -0.29 -0.48 0.00 0.00 0.00 0.00 47.33 46.08 1gra h GLY 188 CO 0.66 0.26 -0.80 -1.60 0.00 0.00 0.00 176.54 175.06 1gra s ARG 189 N -4.78 1.35 0.02 4.80 6.06 -1.26 -1.33 118.95 123.80 1gra s ARG 189 Ca -0.14 -0.27 0.03 0.00 -2.50 0.00 0.00 55.73 52.85 1gra s ARG 189 Cb 0.06 -1.24 -0.02 0.00 0.06 0.00 0.00 34.95 33.82 1gra s ARG 189 CO 0.73 -0.07 -0.08 -1.54 -2.50 0.00 0.00 175.30 171.84 1gra s SER 190 N 0.97 0.94 -0.10 -2.12 1.04 0.59 -1.61 113.70 113.40 1gra s SER 190 Ca -0.10 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1gra s SER 190 Cb -0.15 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.95 1gra s SER 190 CO 0.00 -0.04 -0.10 -0.69 0.98 0.00 0.00 173.24 173.39 1gra s VAL 191 N -0.75 1.16 -0.13 5.02 1.01 0.44 -1.02 120.40 126.13 1gra s VAL 191 Ca -0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1gra s VAL 191 Cb -0.06 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1gra s VAL 191 CO 0.00 0.38 -0.09 -0.63 0.00 0.00 0.00 175.10 174.76 1gra s ILE 192 N 1.32 3.41 -0.22 2.22 1.01 0.01 -0.07 121.20 128.88 1gra s ILE 192 Ca -0.02 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1gra s ILE 192 Cb -0.14 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1gra s ILE 192 CO -0.05 0.52 -0.00 -0.69 0.00 0.00 0.00 174.94 174.72 1gra s VAL 193 N 0.24 3.77 0.00 2.92 1.01 0.04 0.33 120.40 128.70 1gra s VAL 193 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1gra s VAL 193 Cb -0.15 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1gra s VAL 193 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1gra n GLY 194 N 4.65 3.79 0.31 4.51 0.00 -0.79 -0.00 105.19 117.66 1gra n GLY 194 Ca -0.17 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.21 1gra n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gra n ALA 195 N -1.83 1.97 -2.77 4.61 0.00 -1.26 -4.62 120.51 116.60 1gra n ALA 195 Ca 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 53.44 52.01 1gra n ALA 195 Cb 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.07 1gra n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gra n GLY 196 N -0.41 1.54 0.28 0.00 0.00 -1.26 -0.49 105.19 104.85 1gra n GLY 196 Ca 0.04 -2.09 -0.00 0.00 0.00 0.00 0.00 46.02 43.97 1gra n GLY 196 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1gra h TYR 197 N -0.13 0.78 -0.53 1.61 -0.00 -1.98 -2.14 116.97 114.58 1gra h TYR 197 Ca -0.05 0.03 -0.04 0.00 -0.00 0.00 0.00 58.73 58.66 1gra h TYR 197 Cb 0.21 -0.24 -0.02 0.00 -0.00 0.00 0.00 36.73 36.67 1gra h TYR 197 CO 0.00 0.37 0.16 0.82 -0.00 0.00 0.00 178.16 179.51 1gra h ILE 198 N 0.77 1.24 -0.05 -0.90 2.04 -1.95 0.15 117.51 118.81 1gra h ILE 198 Ca 0.33 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1gra h ILE 198 Cb 0.21 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1gra h ILE 198 CO -0.19 0.30 -0.12 0.00 0.00 0.00 0.00 178.15 178.13 1gra h ALA 199 N 1.03 -0.10 -0.50 1.87 0.00 -1.74 0.25 119.26 120.07 1gra h ALA 199 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1gra h ALA 199 Cb 0.29 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1gra h ALA 199 CO -0.00 -0.60 0.32 0.28 0.00 0.00 0.00 179.25 179.24 1gra h VAL 200 N -0.18 1.14 -0.25 0.00 2.07 -1.11 -1.12 116.25 116.81 1gra h VAL 200 Ca 0.06 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1gra h VAL 200 Cb 0.26 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1gra h VAL 200 CO -0.15 0.14 0.02 -0.33 0.02 0.00 0.00 177.57 177.27 1gra h GLU 201 N 0.67 0.42 -0.37 1.57 5.08 -0.13 -1.91 114.58 119.92 1gra h GLU 201 Ca 0.18 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1gra h GLU 201 Cb -0.05 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1gra h GLU 201 CO -0.04 0.57 0.11 0.52 -1.00 0.00 0.00 179.01 179.17 1gra h MET 202 N 0.22 0.58 -0.69 2.33 2.86 -0.36 -2.29 114.93 117.58 1gra h MET 202 Ca 0.07 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1gra h MET 202 Cb 0.36 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1gra h MET 202 CO 0.01 0.60 0.38 0.00 1.06 0.00 0.00 176.91 178.96 1gra h ALA 203 N 0.95 0.93 -0.73 6.32 0.00 -1.16 -1.55 119.26 124.02 1gra h ALA 203 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1gra h ALA 203 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1gra h ALA 203 CO -0.00 0.06 0.32 0.78 0.00 0.00 0.00 179.25 180.41 1gra h GLY 204 N 0.70 1.13 0.48 0.00 0.00 -1.10 -1.44 103.07 102.84 1gra h GLY 204 Ca 0.31 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1gra h GLY 204 CO -0.19 0.54 -0.00 -2.22 0.00 0.00 0.00 176.54 174.67 1gra h ILE 205 N 1.04 1.42 -0.33 2.60 2.04 -1.06 -2.80 117.51 120.41 1gra h ILE 205 Ca 0.25 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1gra h ILE 205 Cb 0.15 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1gra h ILE 205 CO -0.03 0.32 0.21 -0.07 0.00 0.00 0.00 178.15 178.59 1gra h LEU 206 N -0.52 0.39 -0.23 1.44 3.38 -1.26 -2.28 115.31 116.22 1gra h LEU 206 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gra h LEU 206 Cb 0.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1gra h LEU 206 CO 0.00 0.30 0.13 -1.28 0.09 0.00 0.00 178.44 177.68 1gra h SER 207 N 0.45 0.29 -0.03 -0.43 0.87 -1.37 -0.30 113.55 113.02 1gra h SER 207 Ca 0.12 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1gra h SER 207 Cb -0.03 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1gra h SER 207 CO -0.03 0.29 -0.08 0.00 -0.53 0.00 0.00 176.83 176.48 1gra h ALA 208 N 1.01 1.54 -0.02 6.23 0.00 -1.33 -1.85 119.26 124.84 1gra h ALA 208 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gra h ALA 208 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1gra h ALA 208 CO -0.01 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1gra n LEU 209 N -4.31 0.72 0.00 0.00 4.77 -0.87 -4.79 117.00 112.52 1gra n LEU 209 Ca -0.00 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1gra n LEU 209 Cb 0.24 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1gra n LEU 209 CO 0.38 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1gra n GLY 210 N 1.06 0.69 3.77 -0.72 0.00 -0.69 -4.84 105.19 104.45 1gra n GLY 210 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1gra n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gra s SER 211 N -2.30 7.08 -0.64 1.61 0.15 -0.15 -4.95 113.70 114.50 1gra s SER 211 Ca 0.00 2.21 -0.27 0.00 0.70 0.00 0.00 55.95 58.59 1gra s SER 211 Cb 0.00 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1gra s SER 211 CO 0.00 -0.27 1.18 -0.75 1.20 0.00 0.00 173.24 174.60 1gra s LYS 212 N -1.79 3.35 -0.09 5.44 2.20 -0.44 -4.26 119.74 124.15 1gra s LYS 212 Ca 0.49 -0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 56.04 1gra s LYS 212 Cb -0.29 -4.09 -0.03 0.00 -1.51 0.00 0.00 37.83 31.91 1gra s LYS 212 CO 0.37 -1.83 -0.02 0.99 -0.36 0.00 0.00 175.35 174.50 1gra s THR 213 N 5.07 4.12 0.06 3.43 2.01 -1.26 -0.30 115.64 128.77 1gra s THR 213 Ca 0.37 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 62.15 1gra s THR 213 Cb -0.09 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1gra s THR 213 CO 0.20 0.59 -0.24 -0.44 -0.69 0.00 0.00 174.62 174.03 1gra s SER 214 N -0.67 2.92 -0.18 3.53 0.01 -0.19 -1.59 113.70 117.53 1gra s SER 214 Ca 0.11 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.78 1gra s SER 214 Cb -0.12 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.90 1gra s SER 214 CO 0.02 0.21 -0.17 -0.22 0.41 0.00 0.00 173.24 173.48 1gra s LEU 215 N -1.35 2.18 -0.33 2.44 2.96 0.86 -0.81 118.68 124.63 1gra s LEU 215 Ca 0.10 -0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 53.20 1gra s LEU 215 Cb -0.10 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1gra s LEU 215 CO 0.03 -0.04 0.18 -0.32 -1.32 0.00 0.00 176.35 174.87 1gra s MET 216 N 1.32 3.21 0.06 1.98 -2.45 0.15 -0.53 119.30 123.04 1gra s MET 216 Ca 0.03 -0.81 0.09 0.00 -1.25 0.00 0.00 55.69 53.75 1gra s MET 216 Cb -0.14 -3.63 -0.03 0.00 1.25 0.00 0.00 34.83 32.28 1gra s MET 216 CO -0.11 -0.50 -0.26 0.96 1.05 0.00 0.00 175.02 176.16 1gra s ILE 217 N 1.61 2.10 0.07 10.11 -4.36 -0.88 -1.88 121.20 127.97 1gra s ILE 217 Ca 0.04 -1.42 0.26 0.00 -0.26 0.00 0.00 60.65 59.26 1gra s ILE 217 Cb -0.18 -1.81 0.27 0.00 1.25 0.00 0.00 42.46 42.00 1gra s ILE 217 CO 0.07 0.31 1.83 0.03 0.24 0.00 0.00 174.94 177.41 1gra h ARG 218 N 4.66 0.00 0.00 0.37 3.08 -1.86 -1.31 114.38 119.32 1gra h ARG 218 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1gra h ARG 218 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1gra h ARG 218 CO 0.43 0.17 0.00 0.72 -1.07 0.00 0.00 179.97 180.22 1gra n HIS 219 N -3.29 0.00 0.47 3.04 8.25 -1.26 -3.85 115.22 118.58 1gra n HIS 219 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1gra n HIS 219 Cb 0.42 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.45 1gra n HIS 219 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1gra n ASP 220 N 0.00 0.95 -4.12 0.41 5.75 -1.26 -0.99 116.55 117.29 1gra n ASP 220 Ca 0.00 -0.60 -0.09 0.00 -0.01 0.00 0.00 54.79 54.08 1gra n ASP 220 Cb 0.00 1.17 -0.10 0.00 -1.03 0.00 0.00 41.12 41.16 1gra n ASP 220 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1gra s LYS 221 N -2.47 0.69 0.44 0.11 1.02 -1.26 -4.97 119.74 113.30 1gra s LYS 221 Ca 0.02 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.83 1gra s LYS 221 Cb 0.10 -0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.37 1gra s LYS 221 CO 0.57 -0.05 0.66 0.14 -0.92 0.00 0.00 175.35 175.75 1gra s VAL 222 N -3.38 4.11 -1.48 3.17 -7.23 -1.26 -4.51 120.40 109.81 1gra s VAL 222 Ca 0.06 -0.47 -0.09 0.00 -1.81 0.00 0.00 61.98 59.67 1gra s VAL 222 Cb 0.04 -3.52 0.06 0.00 0.56 0.00 0.00 36.38 33.52 1gra s VAL 222 CO -0.06 -0.37 0.82 0.18 -0.31 0.00 0.00 175.10 175.36 1gra n LEU 223 N -2.06 -2.56 0.16 1.32 4.77 0.36 -4.51 117.00 114.48 1gra n LEU 223 Ca 0.01 -0.84 0.12 0.00 -0.03 0.00 0.00 56.01 55.26 1gra n LEU 223 Cb 0.57 -2.49 0.58 0.00 -2.33 0.00 0.00 43.42 39.75 1gra n LEU 223 CO 0.48 0.43 0.85 0.03 -1.33 0.00 0.00 177.39 177.85 1gra h ARG 224 N -1.94 0.00 -0.00 3.23 3.08 -1.79 -1.36 114.38 115.60 1gra h ARG 224 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1gra h ARG 224 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1gra h ARG 224 CO 0.65 0.00 -0.36 -1.13 -1.07 0.00 0.00 179.97 178.06 1gra n SER 225 N -2.29 0.47 -4.58 7.04 3.41 -1.26 -4.88 113.62 111.53 1gra n SER 225 Ca -0.00 -0.22 -0.29 0.00 -0.26 0.00 0.00 58.87 58.10 1gra n SER 225 Cb 0.10 0.09 0.13 0.00 -0.26 0.00 0.00 64.21 64.27 1gra n SER 225 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1gra s PHE 226 N -2.91 2.36 0.50 7.33 0.40 -0.51 -4.99 117.98 120.16 1gra s PHE 226 Ca 0.14 0.53 -0.23 0.00 -0.60 0.00 0.00 56.93 56.77 1gra s PHE 226 Cb 0.18 -3.73 -0.07 0.00 0.51 0.00 0.00 43.02 39.91 1gra s PHE 226 CO 0.64 -2.12 1.32 -3.47 0.70 0.00 0.00 175.22 172.29 1gra n ASP 227 N -3.47 2.64 0.30 1.36 -0.08 -1.26 -4.70 116.55 111.33 1gra n ASP 227 Ca 0.11 1.03 0.17 0.00 -1.51 0.00 0.00 54.79 54.59 1gra n ASP 227 Cb 0.60 -1.55 0.97 0.00 2.34 0.00 0.00 41.12 43.48 1gra n ASP 227 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1gra h SER 228 N 1.70 0.00 -0.04 1.67 4.64 -1.92 -1.69 113.55 117.90 1gra h SER 228 Ca -0.50 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.68 1gra h SER 228 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1gra h SER 228 CO 0.58 0.03 -0.43 -0.03 -0.87 0.00 0.00 176.83 176.11 1gra h MET 229 N 0.00 0.57 -0.14 4.77 -1.53 -2.00 -2.60 114.93 114.00 1gra h MET 229 Ca -0.00 -0.30 -0.09 0.00 -3.44 0.00 0.00 59.70 55.87 1gra h MET 229 Cb 0.10 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.16 1gra h MET 229 CO 0.00 0.89 -0.25 0.82 0.14 0.00 0.00 176.91 178.51 1gra h ILE 230 N 0.46 1.37 -0.47 1.77 1.08 -1.68 -1.38 117.51 118.67 1gra h ILE 230 Ca 0.04 -1.51 -0.04 0.00 -0.39 0.00 0.00 64.86 62.95 1gra h ILE 230 Cb 0.94 2.01 -0.02 0.00 -3.07 0.00 0.00 36.82 36.68 1gra h ILE 230 CO 0.08 0.45 0.13 0.77 -0.69 0.00 0.00 178.15 178.89 1gra h SER 231 N 0.01 0.64 0.27 1.72 4.64 -1.35 0.21 113.55 119.70 1gra h SER 231 Ca 0.01 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1gra h SER 231 Cb 0.84 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1gra h SER 231 CO 0.06 0.62 -0.13 0.74 -0.87 0.00 0.00 176.83 177.25 1gra h THR 232 N 0.68 0.73 -0.67 2.95 2.02 -1.50 -2.26 112.91 114.85 1gra h THR 232 Ca 0.16 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1gra h THR 232 Cb 0.23 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1gra h THR 232 CO -0.01 0.14 0.43 -1.13 0.37 0.00 0.00 175.52 175.32 1gra h ASN 233 N -0.77 0.72 -0.76 4.18 -1.24 -1.15 -1.92 115.58 114.65 1gra h ASN 233 Ca -0.04 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 1gra h ASN 233 Cb 0.50 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.35 1gra h ASN 233 CO 0.06 0.51 0.42 0.00 -1.29 0.00 0.00 177.43 177.13 1gra h THR 235 N 1.05 1.26 -0.45 0.00 2.02 -1.07 -1.91 112.91 113.81 1gra h THR 235 Ca 0.27 -0.87 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 1gra h THR 235 Cb 0.03 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1gra h THR 235 CO -0.04 0.35 -0.09 -0.33 0.37 0.00 0.00 175.52 175.77 1gra h GLU 236 N 1.09 0.86 -0.26 6.66 5.08 -0.83 -2.79 114.58 124.39 1gra h GLU 236 Ca 0.24 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1gra h GLU 236 Cb 0.28 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1gra h GLU 236 CO -0.01 0.96 -0.17 0.93 -1.00 0.00 0.00 179.01 179.71 1gra h GLU 237 N 0.69 0.47 -0.19 2.33 4.39 -0.83 -0.99 114.58 120.46 1gra h GLU 237 Ca 0.12 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1gra h GLU 237 Cb 0.63 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1gra h GLU 237 CO 0.04 0.63 0.11 -0.07 -1.16 0.00 0.00 179.01 178.56 1gra h LEU 238 N 0.42 0.18 -0.86 1.33 3.38 -1.24 -1.55 115.31 116.97 1gra h LEU 238 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1gra h LEU 238 Cb 0.55 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1gra h LEU 238 CO 0.04 0.13 0.40 -0.33 0.09 0.00 0.00 178.44 178.77 1gra h GLU 239 N 0.23 1.23 0.00 1.13 5.08 -1.15 -1.55 114.58 119.53 1gra h GLU 239 Ca 0.07 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1gra h GLU 239 Cb -0.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1gra h GLU 239 CO -0.03 0.95 -0.10 -0.91 -1.00 0.00 0.00 179.01 177.91 1gra h ASN 240 N 1.21 0.00 -0.46 1.42 2.35 -0.86 -1.87 115.58 117.36 1gra h ASN 240 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1gra h ASN 240 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1gra h ASN 240 CO -0.04 0.10 0.00 0.00 -1.65 0.00 0.00 177.43 175.85 1gra n ALA 241 N -2.36 2.43 -0.39 -0.83 0.00 -0.61 -4.92 120.51 113.83 1gra n ALA 241 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1gra n ALA 241 Cb 0.20 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1gra n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gra n GLY 242 N 1.32 0.78 3.68 0.00 0.00 -0.70 -4.85 105.19 105.42 1gra n GLY 242 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1gra n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gra s VAL 243 N -2.18 4.91 -0.32 1.61 1.01 -0.82 -4.72 120.40 119.88 1gra s VAL 243 Ca 0.00 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 63.36 1gra s VAL 243 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1gra s VAL 243 CO 0.00 0.08 0.99 -0.70 0.00 0.00 0.00 175.10 175.48 1gra s GLU 244 N 1.77 4.02 -0.37 2.72 2.12 -0.62 -4.12 118.70 124.22 1gra s GLU 244 Ca 0.40 0.91 -0.16 0.00 0.36 0.00 0.00 54.97 56.48 1gra s GLU 244 Cb -0.17 -3.74 -0.00 0.00 0.26 0.00 0.00 34.13 30.47 1gra s GLU 244 CO 0.15 -0.86 0.37 0.08 -0.54 0.00 0.00 175.26 174.46 1gra s VAL 245 N 3.48 5.17 -0.63 3.70 1.01 -1.26 -0.10 120.40 131.77 1gra s VAL 245 Ca 0.42 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 1gra s VAL 245 Cb -0.13 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.45 1gra s VAL 245 CO 0.15 -0.20 0.87 -0.76 0.00 0.00 0.00 175.10 175.16 1gra s LEU 246 N 1.99 4.71 0.46 3.92 1.43 0.32 -4.96 118.68 126.55 1gra s LEU 246 Ca 0.11 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 51.94 1gra s LEU 246 Cb -0.17 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.56 1gra s LEU 246 CO 0.12 -1.31 0.93 -0.54 0.23 0.00 0.00 176.35 175.78 1gra s LYS 247 N 3.57 4.03 -1.64 1.70 1.02 -1.26 -2.06 119.74 125.10 1gra s LYS 247 Ca 0.19 0.94 -0.17 0.00 0.02 0.00 0.00 55.97 56.95 1gra s LYS 247 Cb -0.19 -2.20 0.13 0.00 -0.52 0.00 0.00 37.83 35.05 1gra s LYS 247 CO 0.09 -0.13 0.86 1.19 -0.92 0.00 0.00 175.35 176.45 1gra n PHE 248 N -1.14 -1.97 -4.41 3.18 3.72 -0.16 -4.71 117.46 111.98 1gra n PHE 248 Ca 0.06 0.84 -0.26 0.00 -0.05 0.00 0.00 57.45 58.04 1gra n PHE 248 Cb 0.54 -3.37 -0.13 0.00 -0.94 0.00 0.00 39.48 35.58 1gra n PHE 248 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1gra s SER 249 N -3.31 2.75 0.05 4.37 0.01 -0.56 -0.70 113.70 116.30 1gra s SER 249 Ca 0.70 -0.67 -0.09 0.00 1.31 0.00 0.00 55.95 57.21 1gra s SER 249 Cb -0.37 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1gra s SER 249 CO 0.89 0.12 0.19 0.00 0.41 0.00 0.00 173.24 174.84 1gra s GLN 250 N -1.78 0.73 0.14 12.44 -2.07 -0.49 -3.84 119.66 124.79 1gra s GLN 250 Ca 0.09 -0.75 -0.29 0.00 -1.82 0.00 0.00 55.36 52.59 1gra s GLN 250 Cb -0.10 0.30 -0.07 0.00 -1.09 0.00 0.00 33.01 32.06 1gra s GLN 250 CO 0.04 -0.22 0.94 0.08 -1.32 0.00 0.00 175.29 174.81 1gra s VAL 251 N -2.98 4.41 -0.17 3.63 1.01 -1.26 -1.61 120.40 123.42 1gra s VAL 251 Ca -0.02 2.03 0.11 0.00 0.00 0.00 0.00 61.98 64.10 1gra s VAL 251 Cb 0.01 -4.30 -0.18 0.00 0.00 0.00 0.00 36.38 31.91 1gra s VAL 251 CO -0.06 0.37 -0.01 1.17 0.00 0.00 0.00 175.10 176.57 1gra n LYS 252 N 2.43 1.16 -3.54 2.72 4.81 0.12 -4.90 118.16 120.96 1gra n LYS 252 Ca 0.01 0.03 -0.08 0.00 -0.87 0.00 0.00 58.31 57.39 1gra n LYS 252 Cb 0.49 -1.41 -0.03 0.00 0.02 0.00 0.00 35.03 34.10 1gra n LYS 252 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1gra s GLU 253 N -2.39 0.65 -0.02 1.64 -1.05 -1.11 -4.21 118.70 112.20 1gra s GLU 253 Ca -0.13 -0.16 0.03 0.00 -0.15 0.00 0.00 54.97 54.56 1gra s GLU 253 Cb 0.05 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 34.04 1gra s GLU 253 CO 0.60 -0.27 -0.11 0.08 0.95 0.00 0.00 175.26 176.52 1gra s VAL 254 N -2.50 0.88 0.00 1.83 1.01 0.06 -0.67 120.40 121.01 1gra s VAL 254 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1gra s VAL 254 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1gra s VAL 254 CO -0.06 0.26 0.12 -1.59 0.00 0.00 0.00 175.10 173.84 1gra s LYS 255 N -0.00 0.45 -0.53 2.72 -2.85 -0.63 -4.01 119.74 114.90 1gra s LYS 255 Ca -0.00 -0.39 -0.27 0.00 -1.00 0.00 0.00 55.97 54.31 1gra s LYS 255 Cb -0.07 0.19 0.03 0.00 -2.06 0.00 0.00 37.83 35.92 1gra s LYS 255 CO 0.00 -0.11 1.09 0.21 0.10 0.00 0.00 175.35 176.64 1gra s LYS 256 N -1.32 3.54 0.49 1.78 2.47 -1.26 -0.20 119.74 125.23 1gra s LYS 256 Ca -0.14 0.22 0.08 0.00 -1.56 0.00 0.00 55.97 54.57 1gra s LYS 256 Cb -0.07 -3.98 0.08 0.00 -1.46 0.00 0.00 37.83 32.40 1gra s LYS 256 CO 0.01 -1.49 0.68 0.25 0.16 0.00 0.00 175.35 174.96 1gra n THR 257 N 6.59 0.00 -0.15 3.43 -2.24 0.12 -4.97 114.28 117.06 1gra n THR 257 Ca 0.08 -1.62 0.17 0.00 -2.27 0.00 0.00 64.05 60.40 1gra n THR 257 Cb 0.49 -0.60 0.53 0.00 -2.10 0.00 0.00 70.33 68.65 1gra n THR 257 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1gra h LEU 258 N 0.00 0.33 -6.08 3.22 3.38 -1.99 -3.26 115.31 110.91 1gra h LEU 258 Ca -0.23 0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.25 1gra h LEU 258 Cb 1.05 -0.05 -0.34 0.00 0.09 0.00 0.00 40.66 41.41 1gra h LEU 258 CO 0.32 0.17 -0.92 -1.20 0.09 0.00 0.00 178.44 176.91 1gra n SER 259 N -4.46 -0.89 0.00 -0.43 7.64 -1.26 -5.10 113.62 109.12 1gra n SER 259 Ca 0.14 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1gra n SER 259 Cb 0.56 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1gra n SER 259 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gra n GLY 260 N 2.61 -1.19 3.83 0.23 0.00 -1.23 -4.41 105.19 105.03 1gra n GLY 260 Ca 0.26 -2.10 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 1gra n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gra s LEU 261 N 0.00 3.75 -0.10 0.99 1.43 0.18 -0.70 118.68 124.23 1gra s LEU 261 Ca 0.00 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1gra s LEU 261 Cb 0.00 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.94 1gra s LEU 261 CO 0.00 -0.11 -0.08 -0.70 0.23 0.00 0.00 176.35 175.69 1gra s GLU 262 N -3.87 1.47 -0.25 1.70 2.12 0.72 -0.71 118.70 119.88 1gra s GLU 262 Ca 0.35 -0.25 -0.09 0.00 0.36 0.00 0.00 54.97 55.34 1gra s GLU 262 Cb -0.07 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.78 1gra s GLU 262 CO 0.25 -0.22 0.12 0.08 -0.54 0.00 0.00 175.26 174.95 1gra s VAL 263 N 1.56 4.86 -0.23 3.70 1.01 0.45 -1.60 120.40 130.14 1gra s VAL 263 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 1gra s VAL 263 Cb -0.13 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1gra s VAL 263 CO -0.06 0.33 0.41 -0.44 0.00 0.00 0.00 175.10 175.34 1gra s SER 264 N 1.37 6.38 0.09 3.32 0.01 0.15 0.19 113.70 125.21 1gra s SER 264 Ca 0.06 0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.82 1gra s SER 264 Cb -0.15 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1gra s SER 264 CO 0.06 -0.15 -0.13 0.00 0.41 0.00 0.00 173.24 173.43 1gra s MET 265 N 1.72 0.89 -0.17 12.44 0.23 0.78 0.16 119.30 135.35 1gra s MET 265 Ca 0.18 -1.09 -0.05 0.00 -1.03 0.00 0.00 55.69 53.70 1gra s MET 265 Cb -0.15 -0.79 -0.03 0.00 -1.53 0.00 0.00 34.83 32.32 1gra s MET 265 CO 0.09 0.16 0.00 0.08 -2.03 0.00 0.00 175.02 173.32 1gra s VAL 266 N -1.81 4.23 -0.20 5.16 1.01 -0.63 -0.35 120.40 127.80 1gra s VAL 266 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1gra s VAL 266 Cb -0.07 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1gra s VAL 266 CO 0.02 0.48 -0.09 -0.89 0.00 0.00 0.00 175.10 174.61 1gra s THR 267 N 0.40 2.96 -0.57 3.92 2.01 0.04 -1.40 115.64 123.01 1gra s THR 267 Ca -0.01 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.41 1gra s THR 267 Cb -0.14 -2.32 0.22 0.00 0.01 0.00 0.00 72.50 70.28 1gra s THR 267 CO 0.02 0.46 0.58 0.00 -0.69 0.00 0.00 174.62 175.00 1gra n ALA 268 N 4.68 3.38 -1.96 7.40 0.00 0.12 -1.22 120.51 132.92 1gra n ALA 268 Ca -0.19 -4.18 -0.41 0.00 0.00 0.00 0.00 53.44 48.66 1gra n ALA 268 Cb 0.51 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1gra n ALA 268 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gra s VAL 269 N -1.61 2.97 0.22 0.00 1.01 -1.26 -4.88 120.40 116.84 1gra s VAL 269 Ca 0.34 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1gra s VAL 269 Cb 0.10 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 1gra s VAL 269 CO -0.10 0.11 1.27 -2.84 0.00 0.00 0.00 175.10 173.55 1gra s PRO 270 N -0.08 4.43 0.00 2.72 0.02 -1.26 -2.25 135.00 138.58 1gra s PRO 270 Ca 0.59 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1gra s PRO 270 Cb -0.39 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1gra s PRO 270 CO 0.39 -0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.30 1gra n GLY 271 N 2.02 0.84 3.44 0.52 0.00 -1.26 -5.04 105.19 105.70 1gra n GLY 271 Ca 0.04 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1gra n GLY 271 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gra s ARG 272 N -1.71 1.30 0.23 1.61 3.52 -0.95 -5.12 118.95 117.82 1gra s ARG 272 Ca 0.00 -1.12 -0.22 0.00 -0.13 0.00 0.00 55.73 54.26 1gra s ARG 272 Cb 0.00 0.43 -0.09 0.00 -1.56 0.00 0.00 34.95 33.74 1gra s ARG 272 CO 0.00 -0.51 0.79 -0.51 -0.81 0.00 0.00 175.30 174.26 1gra s LEU 273 N -2.96 4.40 0.55 -0.88 1.43 -1.26 -4.74 118.68 115.22 1gra s LEU 273 Ca 0.16 1.57 -0.22 0.00 -1.03 0.00 0.00 54.13 54.62 1gra s LEU 273 Cb 0.01 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 1gra s LEU 273 CO 0.01 0.05 1.36 -2.65 0.23 0.00 0.00 176.35 175.36 1gra n PRO 274 N 0.88 1.71 -4.06 1.29 -0.01 -1.26 -4.76 135.00 128.79 1gra n PRO 274 Ca -0.02 0.63 -0.18 0.00 -0.01 0.00 0.00 63.50 63.92 1gra n PRO 274 Cb 0.50 -2.58 -0.16 0.00 -0.01 0.00 0.00 33.50 31.25 1gra n PRO 274 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1gra s VAL 275 N -1.28 0.35 -0.11 -1.45 0.11 -0.36 -4.98 120.40 112.68 1gra s VAL 275 Ca 0.71 -0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.59 1gra s VAL 275 Cb -0.42 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1gra s VAL 275 CO 0.49 0.17 0.27 -0.04 -3.33 0.00 0.00 175.10 172.66 1gra s MET 276 N 0.73 3.94 -0.00 1.54 -1.94 -1.26 -0.78 119.30 121.53 1gra s MET 276 Ca -0.08 0.09 0.03 0.00 -1.71 0.00 0.00 55.69 54.01 1gra s MET 276 Cb -0.12 -3.31 -0.01 0.00 2.01 0.00 0.00 34.83 33.41 1gra s MET 276 CO -0.01 0.51 -0.09 0.99 -0.01 0.00 0.00 175.02 176.41 1gra s THR 277 N -0.35 0.69 -0.15 2.05 2.01 0.52 -4.98 115.64 115.44 1gra s THR 277 Ca 0.17 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 1gra s THR 277 Cb -0.13 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1gra s THR 277 CO 0.06 0.17 0.10 -0.04 -0.69 0.00 0.00 174.62 174.23 1gra s MET 278 N -0.27 3.70 -0.28 4.92 -1.94 -1.26 -0.15 119.30 124.02 1gra s MET 278 Ca 0.03 -0.23 -0.04 0.00 -1.71 0.00 0.00 55.69 53.73 1gra s MET 278 Cb -0.04 -3.21 0.02 0.00 2.01 0.00 0.00 34.83 33.61 1gra s MET 278 CO -0.00 0.53 0.02 0.42 -0.01 0.00 0.00 175.02 175.98 1gra s ILE 279 N -0.34 3.46 0.22 2.53 1.01 0.49 -4.92 121.20 123.65 1gra s ILE 279 Ca 0.10 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1gra s ILE 279 Cb -0.12 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1gra s ILE 279 CO 0.01 0.10 0.35 -2.16 0.00 0.00 0.00 174.94 173.24 1gra s PRO 280 N 1.41 3.44 -1.31 2.79 0.04 -1.26 0.17 135.00 140.27 1gra s PRO 280 Ca 0.01 -0.71 -0.05 0.00 0.04 0.00 0.00 61.00 60.29 1gra s PRO 280 Cb -0.17 -2.90 0.01 0.00 0.04 0.00 0.00 34.50 31.48 1gra s PRO 280 CO -0.00 0.44 1.01 -0.25 0.04 0.00 0.00 177.00 178.23 1gra n ASP 281 N -1.24 -3.66 -4.69 6.66 8.00 -0.96 -4.96 116.55 115.70 1gra n ASP 281 Ca -0.08 -0.65 -0.38 0.00 0.71 0.00 0.00 54.79 54.38 1gra n ASP 281 Cb 0.56 -4.76 -0.07 0.00 -0.02 0.00 0.00 41.12 36.84 1gra n ASP 281 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gra s VAL 282 N -3.39 5.15 -0.12 2.53 1.01 0.12 -4.68 120.40 121.02 1gra s VAL 282 Ca 0.28 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 1gra s VAL 282 Cb -0.13 -3.81 -0.26 0.00 0.00 0.00 0.00 36.38 32.18 1gra s VAL 282 CO 0.76 0.24 0.55 0.44 0.00 0.00 0.00 175.10 177.09 1gra h ASP 283 N 7.18 0.30 -3.18 3.32 3.32 -1.61 0.51 116.42 126.26 1gra h ASP 283 Ca -0.37 -0.83 -0.53 0.00 0.02 0.00 0.00 57.03 55.32 1gra h ASP 283 Cb 1.16 -0.10 -0.37 0.00 0.22 0.00 0.00 39.33 40.25 1gra h ASP 283 CO 0.74 1.54 -0.81 0.00 -1.72 0.00 0.00 179.24 178.99 1gra s LEU 285 N 1.69 3.16 -0.21 0.00 2.96 -1.26 -0.42 118.68 124.59 1gra s LEU 285 Ca 0.05 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1gra s LEU 285 Cb -0.13 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1gra s LEU 285 CO -0.08 -0.07 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.55 1gra s LEU 286 N 1.48 2.70 -0.26 -0.68 0.20 0.89 -0.34 118.68 122.67 1gra s LEU 286 Ca 0.05 -0.62 -0.25 0.00 0.69 0.00 0.00 54.13 54.00 1gra s LEU 286 Cb -0.15 -1.62 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 1gra s LEU 286 CO -0.02 -0.04 0.86 0.26 -0.29 0.00 0.00 176.35 177.13 1gra s TRP 287 N 1.37 3.27 -0.44 5.38 0.52 0.03 -0.78 118.94 128.29 1gra s TRP 287 Ca 0.04 1.09 0.10 0.00 0.02 0.00 0.00 56.10 57.35 1gra s TRP 287 Cb -0.14 -3.18 0.37 0.00 -1.15 0.00 0.00 33.47 29.36 1gra s TRP 287 CO -0.07 -0.49 0.86 0.00 0.02 0.00 0.00 176.95 177.28 1gra n ALA 288 N 6.17 3.36 1.01 0.98 0.00 1.00 -4.32 120.51 128.71 1gra n ALA 288 Ca 0.06 -3.90 0.11 0.00 0.00 0.00 0.00 53.44 49.72 1gra n ALA 288 Cb 0.47 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 19.14 1gra n ALA 288 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1gra n ILE 289 N -0.01 0.00 -1.51 0.00 -5.35 -1.25 -4.27 119.36 106.98 1gra n ILE 289 Ca 0.26 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.73 1gra n ILE 289 Cb 0.59 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 1gra n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gra n GLY 290 N 1.49 -0.11 3.03 3.28 0.00 -1.26 -5.00 105.19 106.62 1gra n GLY 290 Ca 0.05 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 1gra n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gra s ARG 291 N -1.93 0.53 0.02 1.61 1.81 -1.26 -1.45 118.95 118.28 1gra s ARG 291 Ca 0.00 -0.53 0.04 0.00 -1.72 0.00 0.00 55.73 53.53 1gra s ARG 291 Cb 0.00 -0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 34.06 1gra s ARG 291 CO 0.00 0.09 -0.09 0.54 -0.68 0.00 0.00 175.30 175.16 1gra s VAL 292 N -0.82 3.47 0.47 3.52 0.11 0.34 -4.83 120.40 122.65 1gra s VAL 292 Ca -0.04 -0.90 -0.21 0.00 -2.93 0.00 0.00 61.98 57.89 1gra s VAL 292 Cb -0.07 -2.51 -0.08 0.00 -1.53 0.00 0.00 36.38 32.19 1gra s VAL 292 CO 0.00 0.35 1.06 -2.16 -3.33 0.00 0.00 175.10 171.03 1gra s PRO 293 N -1.51 3.84 -1.07 1.54 0.04 -1.26 0.05 135.00 136.63 1gra s PRO 293 Ca 0.17 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 1gra s PRO 293 Cb -0.11 -2.23 0.22 0.00 0.04 0.00 0.00 34.50 32.43 1gra s PRO 293 CO 0.08 -0.42 1.15 1.21 0.04 0.00 0.00 177.00 179.06 1gra s ASN 294 N -1.79 7.08 0.00 6.66 3.84 -0.50 -4.55 114.94 125.68 1gra s ASN 294 Ca 0.65 -3.10 0.00 0.00 0.21 0.00 0.00 52.86 50.62 1gra s ASN 294 Cb -0.20 -2.29 0.00 0.00 -0.55 0.00 0.00 41.25 38.22 1gra s ASN 294 CO 0.24 -0.55 0.01 0.35 -2.79 0.00 0.00 177.10 174.36 1gra n THR 295 N 3.78 0.00 -0.22 -5.21 -2.24 -1.26 -4.74 114.28 104.39 1gra n THR 295 Ca 0.26 -0.19 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1gra n THR 295 Cb 0.43 1.04 0.13 0.00 -2.10 0.00 0.00 70.33 69.83 1gra n THR 295 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1gra h LYS 296 N 0.00 0.19 -0.67 -0.78 3.11 -1.90 -2.62 116.57 113.90 1gra h LYS 296 Ca 0.00 -0.01 -0.20 0.00 -2.81 0.00 0.00 60.65 57.63 1gra h LYS 296 Cb 0.02 -0.04 -0.12 0.00 -1.00 0.00 0.00 32.23 31.09 1gra h LYS 296 CO 0.00 0.13 0.23 -0.25 -2.81 0.00 0.00 179.45 176.74 1gra n ASP 297 N -5.21 4.54 0.04 4.20 8.00 -1.26 -4.46 116.55 122.39 1gra n ASP 297 Ca 0.11 -3.26 0.12 0.00 0.71 0.00 0.00 54.79 52.46 1gra n ASP 297 Cb 0.39 -0.72 0.13 0.00 -0.02 0.00 0.00 41.12 40.89 1gra n ASP 297 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1gra n LEU 298 N -0.30 0.64 -3.16 0.64 4.77 -0.99 -4.69 117.00 113.92 1gra n LEU 298 Ca 0.39 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 56.27 1gra n LEU 298 Cb 1.32 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 42.32 1gra n LEU 298 CO 0.40 0.01 0.19 -1.20 -1.33 0.00 0.00 177.39 175.46 1gra n SER 299 N -1.95 -5.01 -0.26 -1.43 7.64 -1.26 -0.68 113.62 110.66 1gra n SER 299 Ca 0.03 -0.48 0.01 0.00 1.01 0.00 0.00 58.87 59.44 1gra n SER 299 Cb 0.42 -4.43 0.22 0.00 -1.01 0.00 0.00 64.21 59.41 1gra n SER 299 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1gra h LEU 300 N -2.20 0.93 -1.63 -3.43 3.38 -1.91 -2.03 115.31 108.43 1gra h LEU 300 Ca -0.50 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1gra h LEU 300 Cb 1.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1gra h LEU 300 CO 0.47 0.66 0.00 -0.55 0.09 0.00 0.00 178.44 179.11 1gra h ASN 301 N 1.09 0.00 1.01 -0.43 -1.07 -1.90 -0.52 115.58 113.76 1gra h ASN 301 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.68 1gra h ASN 301 Cb -0.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.18 1gra h ASN 301 CO -0.08 0.00 0.00 0.11 0.07 0.00 0.00 177.43 177.53 1gra h LYS 302 N 0.00 0.00 -0.00 4.14 1.57 -1.70 -2.70 116.57 117.88 1gra h LYS 302 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gra h LYS 302 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1gra h LYS 302 CO 0.00 0.00 -0.09 1.28 -0.57 0.00 0.00 179.45 180.07 1gra n LEU 303 N -2.88 1.04 -1.64 2.94 4.77 -0.33 -4.76 117.00 116.15 1gra n LEU 303 Ca 0.01 -0.82 -0.12 0.00 -0.03 0.00 0.00 56.01 55.05 1gra n LEU 303 Cb 0.30 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1gra n LEU 303 CO 0.26 0.22 -0.03 0.61 -1.33 0.00 0.00 177.39 177.12 1gra n GLY 304 N 0.61 0.01 3.71 -0.72 0.00 -0.47 -4.96 105.19 103.37 1gra n GLY 304 Ca 0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1gra n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gra s ILE 305 N -2.81 3.86 0.15 -0.61 1.01 -0.86 -4.90 121.20 117.04 1gra s ILE 305 Ca 0.13 1.32 -0.30 0.00 0.00 0.00 0.00 60.65 61.79 1gra s ILE 305 Cb -0.06 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 1gra s ILE 305 CO 0.16 0.08 1.28 -1.10 0.00 0.00 0.00 174.94 175.36 1gra s GLN 306 N 1.34 4.40 0.30 2.79 -0.21 -1.26 -4.70 119.66 122.32 1gra s GLN 306 Ca 0.60 1.96 0.04 0.00 0.02 0.00 0.00 55.36 57.99 1gra s GLN 306 Cb -0.31 -3.25 -0.06 0.00 1.00 0.00 0.00 33.01 30.39 1gra s GLN 306 CO 0.28 -0.27 0.02 0.95 -2.12 0.00 0.00 175.29 174.16 1gra s THR 307 N 0.52 1.28 0.00 -0.19 -4.23 -1.26 -1.55 115.64 110.21 1gra s THR 307 Ca 0.58 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1gra s THR 307 Cb -0.34 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1gra s THR 307 CO 0.34 -0.13 0.00 -0.90 -0.54 0.00 0.00 174.62 173.39 1gra n ASP 308 N -0.62 0.00 0.04 3.99 5.68 -0.12 -4.84 116.55 120.68 1gra n ASP 308 Ca -0.04 -0.89 0.13 0.00 -0.50 0.00 0.00 54.79 53.49 1gra n ASP 308 Cb 0.65 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.14 1gra n ASP 308 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1gra n ASP 309 N -2.68 0.32 -0.38 -1.12 5.68 -1.26 -2.13 116.55 114.98 1gra n ASP 309 Ca 0.00 0.54 0.13 0.00 -0.50 0.00 0.00 54.79 54.96 1gra n ASP 309 Cb 0.00 -0.62 0.40 0.00 -1.14 0.00 0.00 41.12 39.76 1gra n ASP 309 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1gra n LYS 310 N -1.81 1.24 -0.17 0.11 4.76 -1.26 -4.93 118.16 116.10 1gra n LYS 310 Ca 0.06 -0.76 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 1gra n LYS 310 Cb 0.34 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1gra n LYS 310 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gra n GLY 311 N 1.28 0.80 3.78 0.72 0.00 -0.90 -4.49 105.19 106.37 1gra n GLY 311 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1gra n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gra s HIS 312 N -2.12 3.20 0.08 1.61 3.76 -1.26 -4.64 115.29 115.92 1gra s HIS 312 Ca 0.00 1.62 -0.28 0.00 -0.15 0.00 0.00 55.06 56.25 1gra s HIS 312 Cb 0.00 -3.21 -0.06 0.00 1.11 0.00 0.00 32.58 30.43 1gra s HIS 312 CO 0.00 -0.84 0.87 0.42 -0.85 0.00 0.00 174.74 174.34 1gra s ILE 313 N -1.58 4.62 -0.03 0.60 1.01 -0.82 -0.95 121.20 124.06 1gra s ILE 313 Ca 0.58 1.86 -0.23 0.00 0.00 0.00 0.00 60.65 62.85 1gra s ILE 313 Cb -0.25 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1gra s ILE 313 CO 0.31 0.34 0.69 -0.63 0.00 0.00 0.00 174.94 175.64 1gra s ILE 314 N 0.00 4.96 0.18 2.92 -1.09 -0.60 -4.47 121.20 123.10 1gra s ILE 314 Ca 0.43 1.43 0.02 0.00 -2.23 0.00 0.00 60.65 60.29 1gra s ILE 314 Cb -0.22 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1gra s ILE 314 CO 0.26 0.31 0.01 0.68 -1.23 0.00 0.00 174.94 174.98 1gra s VAL 315 N 0.41 0.63 0.00 2.92 -7.23 -1.26 -4.37 120.40 111.50 1gra s VAL 315 Ca 0.36 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1gra s VAL 315 Cb -0.18 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1gra s VAL 315 CO 0.19 -0.43 0.00 -0.90 -0.31 0.00 0.00 175.10 173.64 1gra n ASP 316 N -0.25 0.00 0.14 4.85 5.68 -0.27 -4.90 116.55 121.79 1gra n ASP 316 Ca -0.06 -0.91 0.12 0.00 -0.50 0.00 0.00 54.79 53.44 1gra n ASP 316 Cb 0.63 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.12 1gra n ASP 316 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1gra n GLU 317 N -0.91 0.19 -0.34 0.11 0.28 -1.26 -1.95 120.64 116.75 1gra n GLU 317 Ca 0.00 0.46 0.08 0.00 -0.16 0.00 0.00 57.16 57.54 1gra n GLU 317 Cb 0.00 -1.89 0.24 0.00 1.43 0.00 0.00 31.44 31.22 1gra n GLU 317 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1gra n PHE 318 N -2.25 0.84 -1.10 -1.84 3.72 -1.26 -4.50 117.46 111.07 1gra n PHE 318 Ca 0.01 -0.57 -0.03 0.00 -0.05 0.00 0.00 57.45 56.81 1gra n PHE 318 Cb 0.20 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 1gra n PHE 318 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1gra n GLN 319 N 0.73 -0.59 -2.64 -1.08 1.13 -0.82 -4.96 117.38 109.15 1gra n GLN 319 Ca 0.18 0.44 -0.37 0.00 -1.94 0.00 0.00 57.00 55.31 1gra n GLN 319 Cb 0.62 -4.08 -0.05 0.00 0.11 0.00 0.00 30.24 26.84 1gra n GLN 319 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1gra s ASN 320 N -2.43 7.11 0.56 1.08 0.01 -1.26 -1.99 114.94 118.01 1gra s ASN 320 Ca 0.00 1.98 -0.01 0.00 -0.71 0.00 0.00 52.86 54.13 1gra s ASN 320 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 1gra s ASN 320 CO 0.00 -0.24 0.13 0.35 -1.51 0.00 0.00 177.10 175.83 1gra n THR 321 N 0.43 0.00 1.28 1.60 -2.24 -0.70 -1.11 114.28 113.53 1gra n THR 321 Ca 0.03 -0.18 0.14 0.00 -2.27 0.00 0.00 64.05 61.77 1gra n THR 321 Cb 0.49 -1.47 0.59 0.00 -2.10 0.00 0.00 70.33 67.85 1gra n THR 321 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1gra n ASN 322 N -3.02 0.29 -4.62 3.42 6.94 -1.26 -4.72 115.26 112.29 1gra n ASN 322 Ca 0.02 -0.24 -0.35 0.00 -0.02 0.00 0.00 54.58 53.99 1gra n ASN 322 Cb 0.07 -0.16 -0.10 0.00 -2.36 0.00 0.00 39.78 37.24 1gra n ASN 322 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gra s VAL 323 N -2.67 4.90 0.23 3.53 1.01 -1.26 -5.06 120.40 121.08 1gra s VAL 323 Ca 0.23 0.01 -0.32 0.00 0.00 0.00 0.00 61.98 61.91 1gra s VAL 323 Cb 0.20 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.21 1gra s VAL 323 CO 0.51 0.42 1.61 0.29 0.00 0.00 0.00 175.10 177.93 1gra n LYS 324 N 3.88 2.50 -1.01 2.72 5.02 -1.26 -2.44 118.16 127.58 1gra n LYS 324 Ca -0.16 0.90 -0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1gra n LYS 324 Cb 0.52 -2.68 -0.00 0.00 -0.02 0.00 0.00 35.03 32.85 1gra n LYS 324 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gra n GLY 325 N 3.04 0.47 3.03 0.72 0.00 -1.26 -4.99 105.19 106.21 1gra n GLY 325 Ca 0.13 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1gra n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gra s ILE 326 N -1.97 1.51 0.23 -0.61 1.01 -1.02 -1.05 121.20 119.29 1gra s ILE 326 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1gra s ILE 326 Cb 0.00 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 1gra s ILE 326 CO 0.00 0.45 -0.08 -0.31 0.00 0.00 0.00 174.94 174.99 1gra s TYR 327 N 1.22 1.72 -0.04 3.97 1.51 -0.27 -1.72 117.35 123.74 1gra s TYR 327 Ca -0.01 -0.70 -0.05 0.00 -1.01 0.00 0.00 57.07 55.29 1gra s TYR 327 Cb -0.14 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1gra s TYR 327 CO -0.06 0.23 0.13 0.00 -1.11 0.00 0.00 175.55 174.75 1gra s ALA 328 N -3.10 -0.33 0.11 3.71 0.00 -0.84 -0.29 121.76 121.01 1gra s ALA 328 Ca 0.25 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 1gra s ALA 328 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1gra s ALA 328 CO 0.08 -0.09 0.08 0.14 0.00 0.00 0.00 175.76 175.97 1gra s VAL 329 N -0.17 0.14 0.00 0.00 -7.23 -1.11 -4.75 120.40 107.28 1gra s VAL 329 Ca -0.02 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1gra s VAL 329 Cb -0.02 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.15 1gra s VAL 329 CO 0.00 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 1gra n GLY 330 N -0.04 -1.44 0.40 2.32 0.00 -1.26 -4.15 105.19 101.02 1gra n GLY 330 Ca -0.10 -1.31 0.22 0.00 0.00 0.00 0.00 46.02 44.83 1gra n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gra h ASP 331 N 0.50 0.00 0.78 1.61 5.19 -1.88 -1.85 116.42 120.77 1gra h ASP 331 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1gra h ASP 331 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1gra h ASP 331 CO 0.00 0.00 0.00 1.62 -3.12 0.00 0.00 179.24 177.74 1gra h VAL 332 N 0.00 0.00 0.00 -1.35 3.04 -1.72 -0.53 116.25 115.68 1gra h VAL 332 Ca 0.24 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1gra h VAL 332 Cb 1.23 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 1gra h VAL 332 CO -0.00 0.00 -0.67 0.00 -1.01 0.00 0.00 177.57 175.89 1gra n GLY 334 N 1.40 0.96 3.23 0.00 0.00 -0.21 -4.68 105.19 105.89 1gra n GLY 334 Ca 0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1gra n GLY 334 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gra s LYS 335 N -2.45 2.42 -0.63 1.61 -2.85 -1.26 -4.81 119.74 111.76 1gra s LYS 335 Ca 0.00 -0.83 -0.13 0.00 -1.00 0.00 0.00 55.97 54.00 1gra s LYS 335 Cb 0.00 -2.03 0.02 0.00 -2.06 0.00 0.00 37.83 33.76 1gra s LYS 335 CO 0.00 0.33 0.64 0.00 0.10 0.00 0.00 175.35 176.42 1gra n ALA 336 N 3.05 -2.65 -1.75 0.59 0.00 -1.26 -4.80 120.51 113.70 1gra n ALA 336 Ca -0.18 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1gra n ALA 336 Cb 0.52 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 1gra n ALA 336 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gra n LEU 337 N -1.33 5.68 -4.02 0.00 4.77 -1.26 -4.76 117.00 116.08 1gra n LEU 337 Ca -0.10 -3.75 -0.11 0.00 -0.03 0.00 0.00 56.01 52.02 1gra n LEU 337 Cb 0.60 -1.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.03 1gra n LEU 337 CO 0.56 0.43 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.91 1gra s LEU 338 N 2.81 2.24 0.14 2.23 1.43 -1.26 -5.04 118.68 121.23 1gra s LEU 338 Ca 0.52 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 1gra s LEU 338 Cb 0.12 -0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.30 1gra s LEU 338 CO -0.00 -0.24 1.68 0.74 0.23 0.00 0.00 176.35 178.76 1gra h THR 339 N 4.57 1.21 0.00 5.49 2.02 -2.00 -2.67 112.91 121.53 1gra h THR 339 Ca -0.34 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 1gra h THR 339 Cb 1.21 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1gra h THR 339 CO 0.41 0.25 -0.24 -0.65 0.37 0.00 0.00 175.52 175.66 1gra h PRO 340 N 0.58 0.00 -0.05 6.66 0.11 -1.97 -1.54 132.00 135.80 1gra h PRO 340 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1gra h PRO 340 Cb 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 1gra h PRO 340 CO -0.01 0.24 -0.02 0.28 -0.21 0.00 0.00 178.00 178.28 1gra h VAL 341 N 0.00 1.33 -0.46 3.15 2.07 -1.80 -0.89 116.25 119.65 1gra h VAL 341 Ca -0.00 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1gra h VAL 341 Cb 0.49 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1gra h VAL 341 CO 0.03 0.28 0.28 0.00 0.02 0.00 0.00 177.57 178.19 1gra h ALA 342 N 0.60 0.59 0.24 1.67 0.00 -1.19 -0.44 119.26 120.73 1gra h ALA 342 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gra h ALA 342 Cb 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1gra h ALA 342 CO 0.01 -0.02 -0.30 0.82 0.00 0.00 0.00 179.25 179.76 1gra h ILE 343 N 0.57 0.37 -0.74 0.00 2.04 -1.27 0.11 117.51 118.59 1gra h ILE 343 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 1gra h ILE 343 Cb -0.01 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1gra h ILE 343 CO -0.07 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.53 1gra h ALA 344 N 0.01 0.94 -0.51 1.87 0.00 -1.00 0.44 119.26 121.00 1gra h ALA 344 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1gra h ALA 344 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1gra h ALA 344 CO -0.10 0.40 -0.17 0.00 0.00 0.00 0.00 179.25 179.39 1gra h ALA 345 N 1.24 0.71 -0.81 0.00 0.00 -0.96 -1.63 119.26 117.81 1gra h ALA 345 Ca 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1gra h ALA 345 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1gra h ALA 345 CO -0.05 0.67 0.40 0.78 0.00 0.00 0.00 179.25 181.05 1gra h GLY 346 N 0.88 1.24 0.77 0.00 0.00 0.04 -1.92 103.07 104.08 1gra h GLY 346 Ca 0.12 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1gra h GLY 346 CO 0.06 0.58 -0.09 3.21 0.00 0.00 0.00 176.54 180.29 1gra h ARG 347 N 1.14 0.36 -0.92 4.80 3.08 -0.82 -2.23 114.38 119.79 1gra h ARG 347 Ca 0.28 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1gra h ARG 347 Cb 0.10 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1gra h ARG 347 CO -0.04 0.68 0.61 0.87 -1.07 0.00 0.00 179.97 181.02 1gra h LYS 348 N 0.03 1.18 -0.38 0.04 1.79 -1.22 -2.42 116.57 115.60 1gra h LYS 348 Ca 0.04 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1gra h LYS 348 Cb 0.58 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1gra h LYS 348 CO 0.03 0.78 0.08 1.25 -1.08 0.00 0.00 179.45 180.51 1gra h LEU 349 N 1.22 0.58 -0.83 2.94 5.85 -1.26 -1.77 115.31 122.04 1gra h LEU 349 Ca 0.34 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1gra h LEU 349 Cb -0.10 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1gra h LEU 349 CO -0.08 0.67 0.54 0.00 -0.34 0.00 0.00 178.44 179.23 1gra h ALA 350 N 0.93 1.09 -0.71 1.25 0.00 -0.96 -1.12 119.26 119.73 1gra h ALA 350 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1gra h ALA 350 Cb 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1gra h ALA 350 CO 0.00 0.39 0.22 0.45 0.00 0.00 0.00 179.25 180.31 1gra h HIS 351 N 1.06 1.14 -0.27 0.00 3.86 -1.30 0.12 115.15 119.75 1gra h HIS 351 Ca 0.33 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1gra h HIS 351 Cb -0.03 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 1gra h HIS 351 CO -0.02 0.90 0.05 -0.09 0.86 0.00 0.00 177.93 179.63 1gra h ARG 352 N 1.06 0.44 0.05 2.45 2.43 -0.85 -0.10 114.38 119.85 1gra h ARG 352 Ca 0.23 -0.11 -0.22 0.00 -0.81 0.00 0.00 59.98 59.07 1gra h ARG 352 Cb 0.30 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1gra h ARG 352 CO -0.01 0.55 -0.90 -0.07 -1.51 0.00 0.00 179.97 178.03 1gra h LEU 353 N 0.27 0.70 -0.08 3.80 3.38 -1.11 -2.96 115.31 119.31 1gra h LEU 353 Ca 0.08 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1gra h LEU 353 Cb 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1gra h LEU 353 CO 0.00 1.42 -0.73 0.49 0.09 0.00 0.00 178.44 179.71 1gra n PHE 354 N -4.01 0.00 0.01 1.13 3.72 0.40 -4.33 117.46 114.37 1gra n PHE 354 Ca -0.12 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.29 1gra n PHE 354 Cb 0.82 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.37 1gra n PHE 354 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1gra n GLU 355 N -1.27 1.28 -2.28 -1.08 2.13 -0.08 -4.97 120.64 114.37 1gra n GLU 355 Ca 0.03 -1.11 -0.19 0.00 0.66 0.00 0.00 57.16 56.55 1gra n GLU 355 Cb 0.26 -1.02 -0.02 0.00 0.27 0.00 0.00 31.44 30.93 1gra n GLU 355 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1gra n TYR 356 N -0.19 -0.95 -2.87 4.31 4.01 -1.03 -4.91 117.16 115.53 1gra n TYR 356 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1gra n TYR 356 Cb 0.16 -3.64 -0.02 0.00 -0.31 0.00 0.00 39.34 35.53 1gra n TYR 356 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1gra s LYS 357 N -4.83 3.75 0.56 -0.72 1.02 -1.12 -4.90 119.74 113.49 1gra s LYS 357 Ca 0.00 -1.91 0.37 0.00 0.02 0.00 0.00 55.97 54.45 1gra s LYS 357 Cb 0.00 -5.05 1.86 0.00 -0.52 0.00 0.00 37.83 34.13 1gra s LYS 357 CO 0.00 -1.85 2.12 1.05 -0.92 0.00 0.00 175.35 175.75 1gra h GLU 358 N 8.43 0.00 -0.12 1.68 4.11 -1.89 -0.66 114.58 126.13 1gra h GLU 358 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1gra h GLU 358 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1gra h GLU 358 CO 1.20 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.88 1gra n ASP 359 N -2.90 2.17 -4.60 3.06 5.75 -1.26 -4.88 116.55 113.88 1gra n ASP 359 Ca -0.01 -1.74 -0.43 0.00 -0.01 0.00 0.00 54.79 52.59 1gra n ASP 359 Cb 0.14 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1gra n ASP 359 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1gra s SER 360 N -1.79 6.40 0.20 -1.12 0.15 -0.25 -4.96 113.70 112.34 1gra s SER 360 Ca 0.34 0.79 -0.21 0.00 0.70 0.00 0.00 55.95 57.57 1gra s SER 360 Cb 0.20 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1gra s SER 360 CO 0.30 -1.39 0.61 -1.59 1.20 0.00 0.00 173.24 172.38 1gra s LYS 361 N 4.82 1.44 0.00 5.44 -2.85 -1.26 -4.62 119.74 122.71 1gra s LYS 361 Ca 0.59 -0.72 -0.20 0.00 -1.00 0.00 0.00 55.97 54.64 1gra s LYS 361 Cb -0.13 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 1gra s LYS 361 CO 0.32 -0.64 0.58 -1.17 0.10 0.00 0.00 175.35 174.55 1gra s LEU 362 N -2.83 4.43 -0.27 2.77 2.96 -1.26 -5.02 118.68 119.46 1gra s LEU 362 Ca 0.06 1.15 -0.23 0.00 -0.22 0.00 0.00 54.13 54.89 1gra s LEU 362 Cb -0.02 -2.90 -0.01 0.00 0.50 0.00 0.00 46.19 43.76 1gra s LEU 362 CO -0.05 0.13 0.75 -0.62 -1.32 0.00 0.00 176.35 175.24 1gra s ASP 363 N -0.30 6.70 0.00 3.68 2.15 -1.26 -4.93 116.67 122.70 1gra s ASP 363 Ca 0.30 0.81 0.14 0.00 0.43 0.00 0.00 52.55 54.23 1gra s ASP 363 Cb -0.18 -2.39 0.56 0.00 -0.30 0.00 0.00 42.92 40.60 1gra s ASP 363 CO 0.17 -0.50 1.40 -1.22 -0.17 0.00 0.00 175.17 174.84 1gra n TYR 364 N 5.98 0.21 -3.31 -5.34 4.02 -1.26 -4.84 117.16 112.62 1gra n TYR 364 Ca 0.03 -0.10 -0.27 0.00 -0.01 0.00 0.00 57.90 57.55 1gra n TYR 364 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.78 1gra n TYR 364 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1gra s ASN 365 N -1.30 6.38 -1.50 7.72 0.02 -1.26 -4.36 114.94 120.64 1gra s ASN 365 Ca 0.23 0.63 -0.06 0.00 -1.02 0.00 0.00 52.86 52.64 1gra s ASN 365 Cb 0.12 -2.11 0.02 0.00 0.02 0.00 0.00 41.25 39.29 1gra s ASN 365 CO 0.17 -0.25 0.73 0.59 0.02 0.00 0.00 177.10 178.37 1gra n ASN 366 N -1.28 -5.92 -4.70 -1.22 5.03 -1.26 -4.99 115.26 100.93 1gra n ASN 366 Ca -0.03 -0.37 -0.41 0.00 0.87 0.00 0.00 54.58 54.64 1gra n ASN 366 Cb 0.55 -4.76 -0.03 0.00 -1.02 0.00 0.00 39.78 34.52 1gra n ASN 366 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1gra s ILE 367 N -3.19 4.89 0.41 2.41 1.01 -1.26 -4.74 121.20 120.73 1gra s ILE 367 Ca 0.39 1.82 -0.14 0.00 0.00 0.00 0.00 60.65 62.72 1gra s ILE 367 Cb -0.18 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.00 1gra s ILE 367 CO 0.48 0.11 0.83 -2.16 0.00 0.00 0.00 174.94 174.20 1gra s PRO 368 N 1.45 3.91 0.01 2.79 0.04 -1.26 -4.43 135.00 137.50 1gra s PRO 368 Ca 0.45 0.68 0.01 0.00 0.04 0.00 0.00 61.00 62.18 1gra s PRO 368 Cb -0.19 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 1gra s PRO 368 CO 0.20 -0.04 -0.03 0.99 0.04 0.00 0.00 177.00 178.16 1gra s THR 369 N -2.32 0.21 -0.05 1.26 2.01 -0.21 -5.01 115.64 111.52 1gra s THR 369 Ca 0.55 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.23 1gra s THR 369 Cb -0.10 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 1gra s THR 369 CO 0.26 -0.11 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.17 1gra s VAL 370 N -0.49 1.83 -0.21 3.82 1.01 -1.26 -0.79 120.40 124.30 1gra s VAL 370 Ca -0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1gra s VAL 370 Cb -0.04 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1gra s VAL 370 CO -0.00 0.51 -0.02 -0.69 0.00 0.00 0.00 175.10 174.90 1gra s VAL 371 N -0.07 3.67 -1.44 2.92 1.01 0.14 -4.97 120.40 121.65 1gra s VAL 371 Ca -0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1gra s VAL 371 Cb -0.13 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1gra s VAL 371 CO 0.03 0.42 2.33 0.49 0.00 0.00 0.00 175.10 178.37 1gra n PHE 372 N 4.52 3.07 -2.08 5.22 3.72 -1.26 -0.82 117.46 129.84 1gra n PHE 372 Ca -0.18 -2.95 0.00 0.00 -0.05 0.00 0.00 57.45 54.28 1gra n PHE 372 Cb 0.51 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 1gra n PHE 372 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1gra n SER 373 N 4.64 0.00 -3.86 4.37 3.41 -1.26 -4.68 113.62 116.25 1gra n SER 373 Ca 0.56 -0.71 -0.30 0.00 -0.26 0.00 0.00 58.87 58.16 1gra n SER 373 Cb 0.34 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.13 1gra n SER 373 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1gra s HIS 374 N 0.66 2.38 0.81 7.33 0.09 -1.26 -2.58 115.29 122.72 1gra s HIS 374 Ca 0.00 -2.03 -0.12 0.00 -0.00 0.00 0.00 55.06 52.91 1gra s HIS 374 Cb 0.00 -1.97 0.08 0.00 -0.00 0.00 0.00 32.58 30.69 1gra s HIS 374 CO 0.00 -0.86 1.12 -1.25 -0.00 0.00 0.00 174.74 173.75 1gra s PRO 375 N 1.39 1.95 0.77 8.40 0.04 -1.26 -4.76 135.00 141.53 1gra s PRO 375 Ca 0.06 0.42 -0.12 0.00 0.04 0.00 0.00 61.00 61.41 1gra s PRO 375 Cb -0.18 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1gra s PRO 375 CO -0.15 -1.67 1.11 -1.25 0.04 0.00 0.00 177.00 175.09 1gra s PRO 376 N -5.30 2.12 -0.05 0.56 0.04 -1.07 -4.55 135.00 126.76 1gra s PRO 376 Ca 0.61 1.33 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1gra s PRO 376 Cb -0.13 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1gra s PRO 376 CO 0.53 -1.77 -0.18 0.42 0.04 0.00 0.00 177.00 176.04 1gra s ILE 377 N -2.68 2.76 -0.03 0.56 1.01 0.00 -1.46 121.20 121.36 1gra s ILE 377 Ca 0.64 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1gra s ILE 377 Cb -0.20 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1gra s ILE 377 CO 0.53 0.58 -0.12 -0.83 0.00 0.00 0.00 174.94 175.10 1gra s GLY 378 N -0.58 0.66 -0.01 6.18 0.00 -0.74 -0.69 107.32 112.15 1gra s GLY 378 Ca 0.08 -0.46 -0.08 0.00 0.00 0.00 0.00 44.72 44.26 1gra s GLY 378 CO 0.01 -0.20 0.16 -1.08 0.00 0.00 0.00 173.10 171.98 1gra s THR 379 N 0.10 0.06 -0.17 0.90 -1.32 0.02 -1.56 115.64 113.68 1gra s THR 379 Ca -0.03 -0.53 -0.12 0.00 -1.21 0.00 0.00 61.69 59.81 1gra s THR 379 Cb -0.09 -0.41 0.05 0.00 -1.51 0.00 0.00 72.50 70.54 1gra s THR 379 CO 0.01 -0.29 0.42 0.54 -2.21 0.00 0.00 174.62 173.09 1gra s VAL 380 N -1.06 -0.01 0.00 5.08 0.11 -0.36 -1.05 120.40 123.11 1gra s VAL 380 Ca -0.11 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 1gra s VAL 380 Cb -0.06 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1gra s VAL 380 CO 0.01 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1gra n GLY 381 N 3.50 -1.40 3.76 6.54 0.00 -1.26 -0.97 105.19 115.36 1gra n GLY 381 Ca -0.18 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1gra n GLY 381 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gra s LEU 382 N 0.00 4.51 0.84 0.99 1.43 0.46 -4.87 118.68 122.05 1gra s LEU 382 Ca 0.00 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1gra s LEU 382 Cb 0.00 -3.77 0.10 0.00 0.03 0.00 0.00 46.19 42.55 1gra s LEU 382 CO 0.00 0.00 1.13 0.42 0.23 0.00 0.00 176.35 178.13 1gra s THR 383 N -1.33 2.46 0.26 5.49 -4.23 -1.26 -4.21 115.64 112.81 1gra s THR 383 Ca 0.45 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1gra s THR 383 Cb -0.25 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 70.89 1gra s THR 383 CO 0.31 -0.19 1.90 -0.08 -0.54 0.00 0.00 174.62 176.01 1gra h GLU 384 N -1.22 1.18 -0.53 3.99 4.81 -1.97 -1.72 114.58 119.13 1gra h GLU 384 Ca -0.48 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 58.57 1gra h GLU 384 Cb 1.31 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1gra h GLU 384 CO 0.62 0.78 -0.07 -0.44 -0.73 0.00 0.00 179.01 179.17 1gra h ASP 385 N 1.22 0.98 -0.62 1.04 3.32 -1.99 -0.74 116.42 119.63 1gra h ASP 385 Ca 0.40 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1gra h ASP 385 Cb 0.05 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1gra h ASP 385 CO -0.14 1.09 0.24 -0.33 -1.72 0.00 0.00 179.24 178.38 1gra h GLU 386 N 0.86 0.97 -0.14 3.56 5.08 -1.80 -1.21 114.58 121.89 1gra h GLU 386 Ca 0.14 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1gra h GLU 386 Cb 0.63 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1gra h GLU 386 CO 0.04 0.81 -0.51 0.00 -1.00 0.00 0.00 179.01 178.35 1gra h ALA 387 N 1.31 0.86 -0.34 3.43 0.00 -0.98 -1.58 119.26 121.95 1gra h ALA 387 Ca 0.22 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1gra h ALA 387 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gra h ALA 387 CO -0.02 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.67 1gra h ILE 388 N 0.31 1.27 0.00 0.00 2.04 -0.77 0.51 117.51 120.88 1gra h ILE 388 Ca 0.01 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1gra h ILE 388 Cb 1.01 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1gra h ILE 388 CO 0.09 0.36 -0.26 -0.74 0.00 0.00 0.00 178.15 177.60 1gra h HIS 389 N 0.43 0.00 0.15 1.37 2.76 -1.12 0.18 115.15 118.92 1gra h HIS 389 Ca 0.09 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.95 1gra h HIS 389 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1gra h HIS 389 CO 0.05 0.26 -1.54 -0.22 -1.30 0.00 0.00 177.93 175.17 1gra h LYS 390 N 0.00 0.32 0.00 5.26 3.64 -0.88 -3.41 116.57 121.50 1gra h LYS 390 Ca -0.00 -0.54 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 1gra h LYS 390 Cb 0.53 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1gra h LYS 390 CO 0.03 1.26 -1.52 0.66 -2.27 0.00 0.00 179.45 177.61 1gra n TYR 391 N -3.79 0.00 0.00 1.91 4.01 0.14 -5.08 117.16 114.35 1gra n TYR 391 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1gra n TYR 391 Cb 0.98 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 1gra n TYR 391 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gra n GLY 392 N 2.01 1.91 0.45 2.72 0.00 0.63 -4.48 105.19 108.42 1gra n GLY 392 Ca -0.05 -1.48 0.31 0.00 0.00 0.00 0.00 46.02 44.80 1gra n GLY 392 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gra h ILE 393 N 0.00 0.32 0.00 -0.61 1.08 -1.90 0.57 117.51 116.97 1gra h ILE 393 Ca 0.00 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1gra h ILE 393 Cb 0.00 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1gra h ILE 393 CO 0.00 0.04 -0.04 1.05 -0.69 0.00 0.00 178.15 178.51 1gra h GLU 394 N 0.22 0.00 -0.42 2.37 4.11 -1.94 -3.19 114.58 115.72 1gra h GLU 394 Ca 0.70 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.13 1gra h GLU 394 Cb 2.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1gra h GLU 394 CO -0.33 0.04 0.00 0.09 0.07 0.00 0.00 179.01 178.88 1gra n ASN 395 N -3.15 3.34 -4.33 3.06 3.02 0.20 -4.94 115.26 112.46 1gra n ASN 395 Ca 0.01 -1.95 -0.32 0.00 -0.03 0.00 0.00 54.58 52.29 1gra n ASN 395 Cb 0.34 -0.28 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 1gra n ASN 395 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1gra s VAL 396 N -1.23 2.65 -0.03 2.41 1.01 -1.19 -0.84 120.40 123.16 1gra s VAL 396 Ca 0.36 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1gra s VAL 396 Cb 0.20 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1gra s VAL 396 CO 0.27 0.55 -0.10 -0.75 0.00 0.00 0.00 175.10 175.07 1gra s LYS 397 N 0.14 1.14 0.20 2.72 2.47 -0.58 -4.98 119.74 120.86 1gra s LYS 397 Ca -0.09 -0.35 0.11 0.00 -1.56 0.00 0.00 55.97 54.07 1gra s LYS 397 Cb -0.16 -1.04 -0.04 0.00 -1.46 0.00 0.00 37.83 35.13 1gra s LYS 397 CO 0.06 0.12 -0.17 0.95 0.16 0.00 0.00 175.35 176.46 1gra s THR 398 N 0.24 2.71 -0.01 3.43 -4.23 -1.26 0.24 115.64 116.77 1gra s THR 398 Ca -0.05 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1gra s THR 398 Cb -0.10 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 1gra s THR 398 CO 0.01 -0.16 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.48 1gra s TYR 399 N -1.82 1.19 0.14 3.99 2.02 0.58 -4.97 117.35 118.48 1gra s TYR 399 Ca 0.24 -0.23 -0.11 0.00 -0.37 0.00 0.00 57.07 56.60 1gra s TYR 399 Cb -0.08 -0.76 0.00 0.00 -0.40 0.00 0.00 41.96 40.73 1gra s TYR 399 CO 0.13 -0.02 0.30 -1.54 -1.57 0.00 0.00 175.55 172.85 1gra s SER 400 N -0.37 -0.00 0.04 2.29 1.04 -1.26 0.44 113.70 115.88 1gra s SER 400 Ca 0.05 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 1gra s SER 400 Cb -0.05 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1gra s SER 400 CO -0.00 -0.86 0.26 0.28 0.98 0.00 0.00 173.24 173.90 1gra s THR 401 N -3.91 0.09 -0.04 2.02 -1.32 -0.51 -4.92 115.64 107.05 1gra s THR 401 Ca 0.11 -0.76 -0.01 0.00 -1.21 0.00 0.00 61.69 59.82 1gra s THR 401 Cb 0.03 -0.92 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 1gra s THR 401 CO -0.05 -0.42 0.08 -0.55 -2.21 0.00 0.00 174.62 171.47 1gra s SER 402 N -2.07 0.10 0.23 8.08 0.15 -1.26 -1.84 113.70 117.10 1gra s SER 402 Ca -0.05 0.14 -0.19 0.00 0.70 0.00 0.00 55.95 56.55 1gra s SER 402 Cb -0.01 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1gra s SER 402 CO -0.03 -0.15 0.61 0.72 1.20 0.00 0.00 173.24 175.58 1gra s PHE 403 N 1.23 -0.15 -0.33 3.44 -0.71 -0.41 -4.98 117.98 116.06 1gra s PHE 403 Ca -0.08 -0.22 -0.15 0.00 -1.04 0.00 0.00 56.93 55.44 1gra s PHE 403 Cb -0.12 0.52 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 1gra s PHE 403 CO -0.04 -1.05 0.37 0.99 -1.34 0.00 0.00 175.22 174.15 1gra s THR 404 N -3.89 5.16 0.49 -4.49 2.01 -1.26 0.01 115.64 113.67 1gra s THR 404 Ca 0.10 0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 1gra s THR 404 Cb -0.03 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 1gra s THR 404 CO 0.01 -0.07 1.32 -2.65 -0.69 0.00 0.00 174.62 172.54 1gra n PRO 405 N 5.40 1.83 0.02 4.92 -0.02 -1.26 -4.83 135.00 141.05 1gra n PRO 405 Ca -0.09 0.66 0.22 0.00 -2.02 0.00 0.00 63.50 62.27 1gra n PRO 405 Cb 0.49 -2.50 0.73 0.00 -0.02 0.00 0.00 33.50 32.21 1gra n PRO 405 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1gra h MET 406 N 1.75 0.00 -0.89 -0.52 1.85 -1.97 0.11 114.93 115.26 1gra h MET 406 Ca -0.50 0.00 0.21 0.00 -0.61 0.00 0.00 59.70 58.80 1gra h MET 406 Cb 1.30 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 33.26 1gra h MET 406 CO 0.58 0.00 0.59 -0.92 -0.40 0.00 0.00 176.91 176.77 1gra h TYR 407 N 0.00 0.49 -0.57 1.39 3.20 -2.02 -1.00 116.97 118.47 1gra h TYR 407 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1gra h TYR 407 Cb 1.16 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1gra h TYR 407 CO 0.00 0.13 0.00 0.72 -1.64 0.00 0.00 178.16 177.37 1gra n HIS 408 N -4.49 0.85 0.28 -3.82 8.25 0.38 -4.15 115.22 112.52 1gra n HIS 408 Ca 0.19 -0.40 0.14 0.00 -0.26 0.00 0.00 57.72 57.38 1gra n HIS 408 Cb 0.71 -0.04 0.81 0.00 1.12 0.00 0.00 29.99 32.60 1gra n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gra h ALA 409 N 4.02 1.39 -0.05 -1.41 0.00 -1.28 -3.04 119.26 118.89 1gra h ALA 409 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1gra h ALA 409 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1gra h ALA 409 CO 0.03 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.70 1gra n VAL 410 N -3.73 1.15 -4.23 0.00 0.24 -1.26 -5.05 118.33 105.45 1gra n VAL 410 Ca -0.02 -1.19 -0.27 0.00 -2.04 0.00 0.00 64.34 60.82 1gra n VAL 410 Cb 0.17 0.38 -0.08 0.00 -1.47 0.00 0.00 33.84 32.84 1gra n VAL 410 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1gra s THR 411 N -1.29 3.55 0.03 3.34 -4.23 -1.15 -4.75 115.64 111.13 1gra s THR 411 Ca 0.08 -1.50 0.10 0.00 -1.18 0.00 0.00 61.69 59.19 1gra s THR 411 Cb 0.06 -2.78 -0.15 0.00 1.34 0.00 0.00 72.50 70.97 1gra s THR 411 CO 0.03 -0.11 1.21 0.11 -0.54 0.00 0.00 174.62 175.31 1gra h LYS 412 N 2.76 0.00 -6.62 3.99 1.57 -1.96 -3.44 116.57 112.87 1gra h LYS 412 Ca -0.47 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.80 1gra h LYS 412 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1gra h LYS 412 CO 0.57 0.79 0.23 0.50 -0.57 0.00 0.00 179.45 180.97 1gra s ARG 413 N -2.76 4.60 0.10 3.15 3.52 -1.26 -5.07 118.95 121.23 1gra s ARG 413 Ca 0.01 1.21 0.04 0.00 -0.13 0.00 0.00 55.73 56.86 1gra s ARG 413 Cb 0.09 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 1gra s ARG 413 CO 0.80 0.51 -0.11 0.15 -0.81 0.00 0.00 175.30 175.85 1gra s LYS 414 N -1.35 0.88 0.08 5.12 -0.14 -1.26 -4.91 119.74 118.15 1gra s LYS 414 Ca 0.39 -1.18 -0.04 0.00 -1.36 0.00 0.00 55.97 53.79 1gra s LYS 414 Cb -0.22 -0.59 -0.03 0.00 -1.68 0.00 0.00 37.83 35.31 1gra s LYS 414 CO 0.27 0.10 0.07 0.95 -0.76 0.00 0.00 175.35 175.97 1gra s THR 415 N -2.41 0.17 0.37 2.17 -4.23 -1.26 -5.07 115.64 105.37 1gra s THR 415 Ca 0.06 -1.59 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1gra s THR 415 Cb -0.03 -1.53 -0.06 0.00 1.34 0.00 0.00 72.50 72.22 1gra s THR 415 CO 0.01 -0.79 0.05 -0.75 -0.54 0.00 0.00 174.62 172.59 1gra s LYS 416 N -3.92 2.10 -0.11 3.99 2.20 -1.26 -4.42 119.74 118.31 1gra s LYS 416 Ca 0.09 -1.82 0.02 0.00 -0.36 0.00 0.00 55.97 53.89 1gra s LYS 416 Cb 0.07 -1.90 0.02 0.00 -1.51 0.00 0.00 37.83 34.50 1gra s LYS 416 CO -0.09 0.05 -0.15 0.00 -0.36 0.00 0.00 175.35 174.80 1gra s VAL 418 N 1.01 2.05 0.01 0.00 -7.23 -0.42 -1.29 120.40 114.53 1gra s VAL 418 Ca -0.06 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1gra s VAL 418 Cb -0.15 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 1gra s VAL 418 CO -0.02 0.56 -0.05 -0.04 -0.31 0.00 0.00 175.10 175.24 1gra s MET 419 N -0.65 0.39 -0.04 4.82 -1.94 -0.77 -0.87 119.30 120.24 1gra s MET 419 Ca 0.10 -0.37 -0.02 0.00 -1.71 0.00 0.00 55.69 53.69 1gra s MET 419 Cb -0.10 -0.28 0.02 0.00 2.01 0.00 0.00 34.83 36.48 1gra s MET 419 CO -0.01 0.07 0.09 0.21 -0.01 0.00 0.00 175.02 175.37 1gra s LYS 420 N -0.65 0.06 -0.17 2.03 2.20 0.74 -1.42 119.74 122.53 1gra s LYS 420 Ca -0.03 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.78 1gra s LYS 420 Cb -0.05 -0.09 -0.00 0.00 -1.51 0.00 0.00 37.83 36.17 1gra s LYS 420 CO -0.00 -0.10 -0.12 1.41 -0.36 0.00 0.00 175.35 176.18 1gra s MET 421 N 0.65 3.29 -0.30 4.03 -2.45 0.17 -1.24 119.30 123.44 1gra s MET 421 Ca -0.05 -0.70 -0.11 0.00 -1.25 0.00 0.00 55.69 53.58 1gra s MET 421 Cb -0.07 -2.73 -0.03 0.00 1.25 0.00 0.00 34.83 33.25 1gra s MET 421 CO -0.03 -0.02 0.18 0.08 1.05 0.00 0.00 175.02 176.29 1gra s VAL 422 N 0.93 5.03 0.16 10.11 1.01 0.01 -0.31 120.40 137.35 1gra s VAL 422 Ca -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1gra s VAL 422 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1gra s VAL 422 CO -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 175.10 175.18 1gra s ALA 424 N -1.62 1.15 0.14 0.00 0.00 -0.23 -1.52 121.76 119.67 1gra s ALA 424 Ca 0.25 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1gra s ALA 424 Cb -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1gra s ALA 424 CO 0.16 0.24 0.00 0.09 0.00 0.00 0.00 175.76 176.25 1gra n ASN 425 N 2.19 -5.03 0.11 0.00 5.03 -0.02 -1.12 115.26 116.42 1gra n ASN 425 Ca -0.17 0.63 -0.03 0.00 0.87 0.00 0.00 54.58 55.88 1gra n ASN 425 Cb 0.55 -1.77 0.16 0.00 -1.02 0.00 0.00 39.78 37.69 1gra n ASN 425 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1gra h LYS 426 N 0.00 0.14 0.00 3.52 3.64 -1.98 -2.49 116.57 119.40 1gra h LYS 426 Ca 0.01 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1gra h LYS 426 Cb 0.53 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1gra h LYS 426 CO 0.00 0.69 -0.10 1.05 -2.27 0.00 0.00 179.45 178.82 1gra h GLU 427 N 0.11 0.00 -5.06 1.90 9.09 -2.00 -3.47 114.58 115.14 1gra h GLU 427 Ca -0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 1gra h GLU 427 Cb 1.06 0.00 0.15 0.00 -1.65 0.00 0.00 28.75 28.32 1gra h GLU 427 CO 0.08 0.10 -0.68 0.39 0.05 0.00 0.00 179.01 178.95 1gra n GLU 428 N -3.32 -3.84 -2.13 1.06 1.02 -0.94 -4.37 120.64 108.11 1gra n GLU 428 Ca -0.01 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.44 1gra n GLU 428 Cb 0.30 -5.24 -0.03 0.00 -0.02 0.00 0.00 31.44 26.45 1gra n GLU 428 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1gra s LYS 429 N -4.69 4.33 -0.40 3.49 2.20 -0.28 -1.11 119.74 123.29 1gra s LYS 429 Ca 0.18 2.15 -0.29 0.00 -0.36 0.00 0.00 55.97 57.65 1gra s LYS 429 Cb -0.02 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1gra s LYS 429 CO 0.62 -0.35 1.37 0.08 -0.36 0.00 0.00 175.35 176.71 1gra s VAL 430 N 0.27 3.96 -1.12 4.02 1.01 -0.28 -1.06 120.40 127.19 1gra s VAL 430 Ca 0.59 1.00 0.14 0.00 0.00 0.00 0.00 61.98 63.71 1gra s VAL 430 Cb -0.39 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1gra s VAL 430 CO 0.38 -0.74 0.73 1.33 0.00 0.00 0.00 175.10 176.79 1gra n VAL 431 N 6.93 0.00 -3.61 2.92 0.24 0.03 -4.77 118.33 120.07 1gra n VAL 431 Ca 0.16 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 1gra n VAL 431 Cb 0.48 1.13 -0.07 0.00 -1.47 0.00 0.00 33.84 33.91 1gra n VAL 431 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1gra s GLY 432 N -1.84 -0.37 -0.04 7.63 0.00 -1.10 -0.40 107.32 111.21 1gra s GLY 432 Ca 0.10 2.19 0.02 0.00 0.00 0.00 0.00 44.72 47.02 1gra s GLY 432 CO 0.40 1.60 -0.07 -0.42 0.00 0.00 0.00 173.10 174.61 1gra s ILE 433 N -0.05 0.68 -0.01 0.90 1.01 -0.14 -0.81 121.20 122.78 1gra s ILE 433 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1gra s ILE 433 Cb -0.04 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1gra s ILE 433 CO -0.01 0.24 0.02 -1.00 0.00 0.00 0.00 174.94 174.19 1gra s HIS 434 N 0.58 0.04 0.14 3.97 3.76 -0.37 -1.22 115.29 122.19 1gra s HIS 434 Ca -0.09 0.08 -0.21 0.00 -0.15 0.00 0.00 55.06 54.69 1gra s HIS 434 Cb -0.12 -0.16 0.06 0.00 1.11 0.00 0.00 32.58 33.47 1gra s HIS 434 CO 0.01 -0.06 0.54 0.00 -0.85 0.00 0.00 174.74 174.38 1gra s MET 435 N 0.68 1.20 -0.07 1.40 0.23 -0.60 -0.19 119.30 121.95 1gra s MET 435 Ca -0.06 -0.50 -0.04 0.00 -1.03 0.00 0.00 55.69 54.06 1gra s MET 435 Cb -0.08 0.55 0.03 0.00 -1.53 0.00 0.00 34.83 33.79 1gra s MET 435 CO -0.02 -0.50 0.16 -1.14 -2.03 0.00 0.00 175.02 171.49 1gra s GLN 436 N -3.60 0.14 0.00 3.16 0.74 -0.05 -1.78 119.66 118.27 1gra s GLN 436 Ca 0.01 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.73 1gra s GLN 436 Cb -0.00 -0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.05 1gra s GLN 436 CO -0.11 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 1gra n GLY 437 N 3.67 2.89 3.66 2.59 0.00 -0.54 -1.30 105.19 116.16 1gra n GLY 437 Ca -0.20 -0.96 -0.46 0.00 0.00 0.00 0.00 46.02 44.40 1gra n GLY 437 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gra n LEU 438 N 0.00 2.98 0.00 0.99 4.77 -1.26 -1.63 117.00 122.85 1gra n LEU 438 Ca 0.00 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 1gra n LEU 438 Cb 0.00 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.68 1gra n LEU 438 CO 0.00 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1gra n GLY 439 N 2.75 2.39 0.28 -0.72 0.00 -1.26 -4.90 105.19 103.74 1gra n GLY 439 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1gra n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gra h ASP 441 N 0.00 0.66 0.26 0.00 2.03 -1.85 -3.15 116.42 114.37 1gra h ASP 441 Ca -0.00 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.15 1gra h ASP 441 Cb 0.08 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.41 1gra h ASP 441 CO 0.00 0.75 -0.94 -0.62 -1.03 0.00 0.00 179.24 177.40 1gra n GLU 442 N -4.23 0.12 0.04 4.15 -0.58 -0.96 -4.34 120.64 114.85 1gra n GLU 442 Ca 0.02 -0.01 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1gra n GLU 442 Cb 0.29 -1.53 -0.12 0.00 -0.57 0.00 0.00 31.44 29.51 1gra n GLU 442 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1gra h MET 443 N 0.00 0.00 -0.33 3.49 4.05 -1.41 -3.39 114.93 117.34 1gra h MET 443 Ca 0.00 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1gra h MET 443 Cb 0.60 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 1gra h MET 443 CO 0.00 0.90 0.17 1.25 0.23 0.00 0.00 176.91 179.46 1gra h LEU 444 N 0.00 0.42 -0.74 3.39 5.85 -1.75 -3.36 115.31 119.12 1gra h LEU 444 Ca -0.07 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1gra h LEU 444 Cb 1.82 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 42.62 1gra h LEU 444 CO 0.12 0.41 -0.45 -0.61 -0.34 0.00 0.00 178.44 177.57 1gra h GLN 445 N 0.41 -0.13 -0.31 1.25 5.75 -1.85 -1.18 115.11 119.04 1gra h GLN 445 Ca 0.12 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.51 1gra h GLN 445 Cb 0.09 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1gra h GLN 445 CO -0.02 -0.09 -0.27 0.78 -2.65 0.00 0.00 178.83 176.58 1gra h GLY 446 N -0.14 0.68 2.00 2.39 0.00 -1.87 -2.06 103.07 104.07 1gra h GLY 446 Ca 0.22 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1gra h GLY 446 CO -0.80 0.54 -0.18 0.74 0.00 0.00 0.00 176.54 176.85 1gra h PHE 447 N 0.55 0.00 -0.08 5.60 0.04 -1.51 -1.61 116.94 119.93 1gra h PHE 447 Ca 0.07 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 1gra h PHE 447 Cb 0.75 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 1gra h PHE 447 CO 0.03 0.18 -0.33 0.00 -0.60 0.00 0.00 178.31 177.59 1gra h ALA 448 N 1.82 1.30 -0.15 2.45 0.00 -0.55 0.86 119.26 124.99 1gra h ALA 448 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1gra h ALA 448 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1gra h ALA 448 CO 0.02 0.49 0.02 0.28 0.00 0.00 0.00 179.25 180.06 1gra h VAL 449 N 0.14 1.23 -0.57 0.00 2.07 -0.91 -1.79 116.25 116.40 1gra h VAL 449 Ca 0.02 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1gra h VAL 449 Cb 0.66 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1gra h VAL 449 CO 0.05 0.22 0.32 0.00 0.02 0.00 0.00 177.57 178.18 1gra h ALA 450 N 0.80 0.74 -0.53 1.67 0.00 -1.09 -1.52 119.26 119.33 1gra h ALA 450 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1gra h ALA 450 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1gra h ALA 450 CO 0.00 0.25 -0.05 0.28 0.00 0.00 0.00 179.25 179.73 1gra h VAL 451 N 0.78 1.26 -0.46 0.00 2.07 -0.79 -1.94 116.25 117.17 1gra h VAL 451 Ca 0.20 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1gra h VAL 451 Cb 0.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1gra h VAL 451 CO -0.03 0.41 0.16 0.50 0.02 0.00 0.00 177.57 178.63 1gra h LYS 452 N 0.86 0.67 0.00 1.57 1.63 -0.80 -1.47 116.57 119.03 1gra h LYS 452 Ca 0.15 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1gra h LYS 452 Cb 0.58 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1gra h LYS 452 CO 0.04 0.58 0.00 -1.33 -3.45 0.00 0.00 179.45 175.28 1gra n MET 453 N -4.34 0.20 -1.71 1.90 2.81 -0.62 -4.91 117.12 110.45 1gra n MET 453 Ca 0.03 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1gra n MET 453 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1gra n MET 453 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1gra n GLY 454 N 1.12 0.91 3.74 3.03 0.00 -0.55 -5.03 105.19 108.40 1gra n GLY 454 Ca 0.10 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1gra n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gra s ALA 455 N -2.48 2.12 0.49 4.61 0.00 -0.77 -4.82 121.76 120.91 1gra s ALA 455 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1gra s ALA 455 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1gra s ALA 455 CO 0.00 -1.86 0.29 0.95 0.00 0.00 0.00 175.76 175.14 1gra s THR 456 N -2.46 1.89 0.38 0.00 -4.23 -1.26 -1.13 115.64 108.83 1gra s THR 456 Ca 0.67 -1.59 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1gra s THR 456 Cb -0.22 -2.48 0.23 0.00 1.34 0.00 0.00 72.50 71.36 1gra s THR 456 CO 0.50 0.00 1.99 0.50 -0.54 0.00 0.00 174.62 177.07 1gra h LYS 457 N 1.04 0.58 -0.89 3.99 1.63 -1.32 -1.38 116.57 120.22 1gra h LYS 457 Ca -0.40 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.36 1gra h LYS 457 Cb 1.29 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.75 1gra h LYS 457 CO 0.63 0.45 0.59 0.00 -3.45 0.00 0.00 179.45 177.67 1gra h ALA 458 N 1.64 1.40 -0.69 5.00 0.00 -1.85 0.22 119.26 124.99 1gra h ALA 458 Ca 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1gra h ALA 458 Cb 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1gra h ALA 458 CO -0.02 0.54 0.20 -0.44 0.00 0.00 0.00 179.25 179.53 1gra h ASP 459 N 1.16 1.01 0.09 0.00 3.32 -1.64 0.80 116.42 121.16 1gra h ASP 459 Ca 0.34 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1gra h ASP 459 Cb -0.07 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.21 1gra h ASP 459 CO -0.09 0.96 -0.04 -0.26 -1.72 0.00 0.00 179.24 178.09 1gra h PHE 460 N 1.01 -0.11 0.00 4.55 -1.00 -1.27 -3.09 116.94 117.03 1gra h PHE 460 Ca 0.22 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 1gra h PHE 460 Cb 0.32 0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 1gra h PHE 460 CO 0.02 0.18 -0.03 -0.44 -1.61 0.00 0.00 178.31 176.44 1gra h ASP 461 N -0.41 0.00 -0.27 2.17 3.32 -0.36 -0.90 116.42 119.98 1gra h ASP 461 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1gra h ASP 461 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1gra h ASP 461 CO 0.02 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 178.16 1gra n ASN 462 N -4.01 1.79 -4.65 6.45 3.02 0.25 -4.78 115.26 113.33 1gra n ASN 462 Ca -0.03 -1.87 -0.37 0.00 -0.03 0.00 0.00 54.58 52.28 1gra n ASN 462 Cb 0.12 -0.18 -0.09 0.00 -0.61 0.00 0.00 39.78 39.02 1gra n ASN 462 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1gra s THR 463 N -1.65 5.28 0.33 3.41 2.01 -0.34 -5.05 115.64 119.63 1gra s THR 463 Ca 0.28 0.40 -0.29 0.00 0.31 0.00 0.00 61.69 62.39 1gra s THR 463 Cb 0.15 -3.60 -0.11 0.00 0.01 0.00 0.00 72.50 68.95 1gra s THR 463 CO 0.21 0.28 1.41 -0.69 -0.69 0.00 0.00 174.62 175.14 1gra s VAL 464 N 1.33 2.43 0.69 3.82 1.01 -1.26 -4.97 120.40 123.44 1gra s VAL 464 Ca 0.12 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1gra s VAL 464 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1gra s VAL 464 CO 0.07 0.09 1.06 0.00 0.00 0.00 0.00 175.10 176.32 1gra s ALA 465 N -0.87 2.72 -0.26 5.51 0.00 -1.26 -5.06 121.76 122.54 1gra s ALA 465 Ca 0.53 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 1gra s ALA 465 Cb -0.43 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1gra s ALA 465 CO 0.55 -1.16 0.01 0.42 0.00 0.00 0.00 175.76 175.58 1gra s ILE 466 N -3.04 3.51 -0.04 0.00 1.01 -1.26 -5.10 121.20 116.28 1gra s ILE 466 Ca 0.58 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.55 1gra s ILE 466 Cb -0.14 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1gra s ILE 466 CO 0.54 0.20 -0.22 -2.28 0.00 0.00 0.00 174.94 173.18 1gra s HIS 467 N 1.44 2.11 -0.19 3.97 2.46 -1.26 -3.40 115.29 120.42 1gra s HIS 467 Ca 0.03 -0.55 -0.12 0.00 0.47 0.00 0.00 55.06 54.89 1gra s HIS 467 Cb -0.16 -1.38 -0.05 0.00 -0.13 0.00 0.00 32.58 30.86 1gra s HIS 467 CO -0.01 -0.14 0.20 -1.25 -2.47 0.00 0.00 174.74 171.07 1gra s PRO 468 N -0.24 4.20 0.26 2.88 0.05 -1.26 -5.19 135.00 135.70 1gra s PRO 468 Ca 0.01 -0.10 -0.07 0.00 0.05 0.00 0.00 61.00 60.89 1gra s PRO 468 Cb -0.11 -3.44 -0.01 0.00 0.05 0.00 0.00 34.50 30.98 1gra s PRO 468 CO 0.02 0.23 0.38 0.95 0.05 0.00 0.00 177.00 178.63 1gra s THR 469 N 0.53 0.00 0.02 1.26 -4.23 -1.22 -5.03 115.64 106.97 1gra s THR 469 Ca 0.11 -1.62 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1gra s THR 469 Cb -0.12 -2.40 -0.31 0.00 1.34 0.00 0.00 72.50 71.00 1gra s THR 469 CO 0.01 0.00 0.93 0.28 -0.54 0.00 0.00 174.62 175.31 1gra h SER 470 N 2.31 0.59 -0.55 3.99 0.02 -1.90 -3.36 113.55 114.65 1gra h SER 470 Ca -0.29 -0.71 0.13 0.00 -0.84 0.00 0.00 61.79 60.08 1gra h SER 470 Cb 1.25 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1gra h SER 470 CO 0.41 1.57 0.38 0.77 -1.14 0.00 0.00 176.83 178.82 1gra h SER 471 N 0.10 0.16 0.09 3.07 4.64 -1.93 -1.19 113.55 118.49 1gra h SER 471 Ca -0.24 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1gra h SER 471 Cb 2.07 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1gra h SER 471 CO 0.21 0.09 -0.01 1.05 -0.87 0.00 0.00 176.83 177.30 1gra h GLU 472 N 0.17 0.00 0.00 4.77 4.11 -1.75 -2.45 114.58 119.43 1gra h GLU 472 Ca 0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.66 1gra h GLU 472 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1gra h GLU 472 CO -0.04 0.01 -0.15 0.93 0.07 0.00 0.00 179.01 179.83 1gra h GLU 473 N 0.00 0.00 0.00 1.06 4.39 -1.46 -1.89 114.58 116.68 1gra h GLU 473 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1gra h GLU 473 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1gra h GLU 473 CO 0.00 0.15 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.78 1gra h LEU 474 N 0.00 0.00 -2.11 1.33 3.38 -1.64 -3.00 115.31 113.27 1gra h LEU 474 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gra h LEU 474 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1gra h LEU 474 CO 0.02 0.15 0.00 1.33 0.09 0.00 0.00 178.44 180.03 1gra n VAL 475 N -3.20 0.23 -1.91 1.22 0.24 -0.72 -4.41 118.33 109.77 1gra n VAL 475 Ca 0.02 -0.62 0.05 0.00 -2.04 0.00 0.00 64.34 61.75 1gra n VAL 475 Cb 0.47 1.26 0.12 0.00 -1.47 0.00 0.00 33.84 34.22 1gra n VAL 475 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1gra n THR 476 N 1.41 1.18 -2.41 3.34 -2.24 -1.13 -4.34 114.28 110.09 1gra n THR 476 Ca 0.16 -2.05 -0.41 0.00 -2.27 0.00 0.00 64.05 59.49 1gra n THR 476 Cb 0.60 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 1gra n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1gra s LEU 477 N -1.74 4.51 0.00 3.22 1.43 -1.22 -5.02 118.68 119.86 1gra s LEU 477 Ca 0.33 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1gra s LEU 477 Cb 0.34 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1gra s LEU 477 CO -0.09 -0.25 0.11 0.54 0.23 0.00 0.00 176.35 176.89