#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grs s ALA 19 N 0.00 3.20 -0.08 3.52 0.00 -1.08 -4.88 121.76 122.44 3grs s ALA 19 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3grs s ALA 19 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3grs s ALA 19 CO 0.00 -0.13 -0.07 0.45 0.00 0.00 0.00 175.76 176.01 3grs s SER 20 N 0.50 4.60 0.38 0.00 0.15 -1.26 -1.20 113.70 116.87 3grs s SER 20 Ca 0.49 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 57.12 3grs s SER 20 Cb -0.22 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.79 3grs s SER 20 CO 0.29 0.33 0.07 -0.31 1.20 0.00 0.00 173.24 174.82 3grs s TYR 21 N -0.61 1.94 0.07 3.44 1.51 -0.59 -4.97 117.35 118.14 3grs s TYR 21 Ca 0.09 -1.04 0.03 0.00 -1.01 0.00 0.00 57.07 55.15 3grs s TYR 21 Cb -0.12 -1.31 -0.24 0.00 -0.11 0.00 0.00 41.96 40.18 3grs s TYR 21 CO 0.02 -0.03 1.09 -0.44 -1.11 0.00 0.00 175.55 175.08 3grs h ASP 22 N 1.91 0.16 -3.18 2.29 3.45 -0.52 -3.37 116.42 117.17 3grs h ASP 22 Ca -0.40 -0.20 -0.14 0.00 0.43 0.00 0.00 57.03 56.72 3grs h ASP 22 Cb 1.26 -0.05 -0.28 0.00 -0.56 0.00 0.00 39.33 39.70 3grs h ASP 22 CO 0.67 1.16 -0.37 -0.47 -1.57 0.00 0.00 179.24 178.66 3grs s TYR 23 N -2.67 -0.53 -0.14 4.55 5.04 -0.97 -3.75 117.35 118.89 3grs s TYR 23 Ca -0.03 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 3grs s TYR 23 Cb 0.08 0.19 -0.01 0.00 0.35 0.00 0.00 41.96 42.57 3grs s TYR 23 CO 0.84 -0.32 -0.14 -0.51 -1.34 0.00 0.00 175.55 174.08 3grs s LEU 24 N 1.52 2.60 -0.20 6.97 1.43 -0.93 -2.05 118.68 128.01 3grs s LEU 24 Ca -0.08 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3grs s LEU 24 Cb -0.09 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3grs s LEU 24 CO -0.11 0.13 -0.12 -0.69 0.23 0.00 0.00 176.35 175.78 3grs s VAL 25 N 0.55 2.69 -0.45 -1.59 1.01 -0.52 -0.83 120.40 121.26 3grs s VAL 25 Ca -0.09 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 3grs s VAL 25 Cb -0.16 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.07 3grs s VAL 25 CO 0.04 0.48 0.47 -0.63 0.00 0.00 0.00 175.10 175.45 3grs s ILE 26 N 1.38 5.07 0.00 2.22 1.01 0.35 -0.29 121.20 130.94 3grs s ILE 26 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3grs s ILE 26 Cb -0.14 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3grs s ILE 26 CO -0.08 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 174.94 3grs n GLY 27 N 5.14 3.19 2.75 6.18 0.00 -0.08 0.04 105.19 122.40 3grs n GLY 27 Ca -0.08 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 3grs n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grs n GLY 28 N 0.69 5.70 0.00 -0.02 0.00 -1.24 -4.21 105.19 106.11 3grs n GLY 28 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.45 3grs n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grs n GLY 29 N -0.53 3.02 0.36 -0.02 0.00 -1.26 -0.98 105.19 105.78 3grs n GLY 29 Ca 0.49 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 3grs n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3grs h SER 30 N 0.00 -1.15 0.07 1.61 0.02 -1.93 -1.25 113.55 110.92 3grs h SER 30 Ca 0.00 0.17 -0.27 0.00 -0.84 0.00 0.00 61.79 60.85 3grs h SER 30 Cb 0.00 0.49 0.02 0.00 0.14 0.00 0.00 62.40 63.05 3grs h SER 30 CO 0.00 -0.37 -1.09 1.23 -1.14 0.00 0.00 176.83 175.46 3grs h GLY 31 N -0.39 0.73 0.90 -3.77 0.00 -1.87 -2.87 103.07 95.81 3grs h GLY 31 Ca 0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.08 3grs h GLY 31 CO -0.43 1.19 -0.09 -1.33 0.00 0.00 0.00 176.54 175.89 3grs h GLY 32 N 0.47 -0.26 0.99 4.60 0.00 -1.70 -1.37 103.07 105.80 3grs h GLY 32 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3grs h GLY 32 CO 0.21 -0.09 0.15 1.41 0.00 0.00 0.00 176.54 178.21 3grs h LEU 33 N -0.35 0.27 -0.70 3.11 3.38 -1.35 -1.12 115.31 118.55 3grs h LEU 33 Ca -0.03 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3grs h LEU 33 Cb 0.27 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3grs h LEU 33 CO 0.04 0.21 0.42 0.00 0.09 0.00 0.00 178.44 179.21 3grs h ALA 34 N 1.07 0.92 -0.20 1.53 0.00 -1.41 -0.63 119.26 120.53 3grs h ALA 34 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3grs h ALA 34 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3grs h ALA 34 CO -0.02 0.17 -0.02 1.03 0.00 0.00 0.00 179.25 180.42 3grs h SER 35 N 0.81 0.36 -0.44 0.00 0.87 -1.09 -2.46 113.55 111.61 3grs h SER 35 Ca 0.29 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3grs h SER 35 Cb 0.07 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3grs h SER 35 CO -0.13 0.60 0.28 0.00 -0.53 0.00 0.00 176.83 177.06 3grs h ALA 36 N 0.77 0.56 -0.57 6.23 0.00 -0.97 -0.66 119.26 124.63 3grs h ALA 36 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3grs h ALA 36 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3grs h ALA 36 CO 0.01 0.03 0.35 0.00 0.00 0.00 0.00 179.25 179.64 3grs h ARG 37 N 0.59 0.76 -0.30 0.00 3.08 -1.11 -0.86 114.38 116.55 3grs h ARG 37 Ca 0.16 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 3grs h ARG 37 Cb -0.04 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3grs h ARG 37 CO -0.03 0.54 -0.51 -0.09 -1.07 0.00 0.00 179.97 178.81 3grs h ARG 38 N 0.76 0.86 -0.34 0.04 9.65 -1.21 -2.16 114.38 121.97 3grs h ARG 38 Ca 0.20 -0.52 0.02 0.00 -1.10 0.00 0.00 59.98 58.59 3grs h ARG 38 Cb -0.03 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 3grs h ARG 38 CO -0.04 1.16 0.17 0.00 2.80 0.00 0.00 179.97 184.06 3grs h ALA 39 N 0.74 0.42 -0.90 2.80 0.00 -0.84 -2.44 119.26 119.04 3grs h ALA 39 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3grs h ALA 39 Cb 1.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3grs h ALA 39 CO 0.11 -0.21 0.55 0.00 0.00 0.00 0.00 179.25 179.70 3grs h ALA 40 N 1.18 1.28 -0.06 0.00 0.00 -1.00 -0.46 119.26 120.19 3grs h ALA 40 Ca 0.14 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3grs h ALA 40 Cb 0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3grs h ALA 40 CO -0.10 0.63 0.05 0.93 0.00 0.00 0.00 179.25 180.75 3grs h GLU 41 N 1.23 0.00 -0.06 0.00 5.08 -0.94 -0.17 114.58 119.72 3grs h GLU 41 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3grs h GLU 41 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3grs h GLU 41 CO -0.06 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.23 3grs n LEU 42 N -4.40 1.23 0.00 1.33 4.77 -0.24 -4.91 117.00 114.78 3grs n LEU 42 Ca -0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3grs n LEU 42 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3grs n LEU 42 CO 0.33 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3grs n GLY 43 N 1.11 0.46 3.77 -0.72 0.00 -0.08 -4.96 105.19 104.76 3grs n GLY 43 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3grs n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grs s ALA 44 N -2.00 3.27 -0.49 4.61 0.00 -0.83 -4.96 121.76 121.37 3grs s ALA 44 Ca 0.00 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 3grs s ALA 44 Cb 0.00 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.70 3grs s ALA 44 CO 0.00 -0.71 0.70 0.50 0.00 0.00 0.00 175.76 176.25 3grs s ARG 45 N -2.16 3.23 0.21 0.00 6.06 -1.26 -4.26 118.95 120.77 3grs s ARG 45 Ca 0.55 -0.55 0.11 0.00 -2.50 0.00 0.00 55.73 53.34 3grs s ARG 45 Cb -0.36 -4.03 -0.04 0.00 0.06 0.00 0.00 34.95 30.57 3grs s ARG 45 CO 0.47 -1.19 -0.18 0.00 -2.50 0.00 0.00 175.30 171.90 3grs s ALA 46 N 2.98 2.74 0.01 6.12 0.00 -1.26 0.25 121.76 132.61 3grs s ALA 46 Ca 0.21 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.54 3grs s ALA 46 Cb -0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3grs s ALA 46 CO 0.16 0.39 -0.06 0.00 0.00 0.00 0.00 175.76 176.26 3grs s ALA 47 N -1.91 0.45 -0.14 0.00 0.00 -0.87 -2.39 121.76 116.90 3grs s ALA 47 Ca 0.25 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 3grs s ALA 47 Cb -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3grs s ALA 47 CO 0.13 0.05 -0.13 0.08 0.00 0.00 0.00 175.76 175.89 3grs s VAL 48 N -0.62 3.00 -0.20 0.00 1.01 0.12 -1.44 120.40 122.26 3grs s VAL 48 Ca -0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3grs s VAL 48 Cb -0.05 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3grs s VAL 48 CO 0.00 0.51 0.30 -0.69 0.00 0.00 0.00 175.10 175.22 3grs s VAL 49 N 0.56 5.28 -0.03 2.92 1.01 0.61 -0.00 120.40 130.74 3grs s VAL 49 Ca -0.08 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 3grs s VAL 49 Cb -0.16 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.62 3grs s VAL 49 CO 0.03 0.32 0.03 -0.70 0.00 0.00 0.00 175.10 174.79 3grs s GLU 50 N 0.99 0.05 0.15 2.72 2.56 -0.48 -0.91 118.70 123.79 3grs s GLU 50 Ca 0.15 0.23 0.23 0.00 0.00 0.00 0.00 54.97 55.58 3grs s GLU 50 Cb -0.14 -0.43 0.03 0.00 2.00 0.00 0.00 34.13 35.59 3grs s GLU 50 CO 0.06 -0.23 1.04 -1.13 -0.56 0.00 0.00 175.26 174.43 3grs n SER 51 N 4.65 0.73 0.00 -1.70 3.41 -1.08 -1.19 113.62 118.43 3grs n SER 51 Ca -0.17 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3grs n SER 51 Cb 0.50 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 3grs n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3grs n HIS 52 N -2.46 0.00 -4.22 7.33 8.25 -1.26 -4.59 115.22 118.26 3grs n HIS 52 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 3grs n HIS 52 Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 3grs n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3grs s LYS 53 N 2.78 2.98 0.68 -0.41 1.02 -1.26 -5.03 119.74 120.50 3grs s LYS 53 Ca 0.00 -0.48 -0.16 0.00 0.02 0.00 0.00 55.97 55.35 3grs s LYS 53 Cb 0.00 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 3grs s LYS 53 CO 0.00 0.66 1.16 -0.51 -0.92 0.00 0.00 175.35 175.75 3grs s LEU 54 N -1.40 3.41 0.00 3.17 1.43 -1.26 -2.75 118.68 121.27 3grs s LEU 54 Ca 0.19 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 3grs s LEU 54 Cb -0.12 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.53 3grs s LEU 54 CO 0.09 -1.88 0.00 0.61 0.23 0.00 0.00 176.35 175.40 3grs n GLY 55 N 0.03 2.95 7.00 -3.19 0.00 -0.15 -4.76 105.19 107.07 3grs n GLY 55 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3grs n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grs n GLY 56 N -1.00 0.99 0.17 -0.02 0.00 -1.11 -3.20 105.19 101.02 3grs n GLY 56 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 3grs n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3grs h THR 57 N 0.00 1.10 -0.18 2.61 2.02 -1.94 -2.60 112.91 113.92 3grs h THR 57 Ca 0.00 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.03 3grs h THR 57 Cb 0.00 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3grs h THR 57 CO 0.00 0.10 -0.02 0.00 0.37 0.00 0.00 175.52 175.97 3grs h VAL 59 N 0.03 1.40 0.08 0.00 2.07 -1.57 -1.74 116.25 116.52 3grs h VAL 59 Ca 0.09 -1.44 -0.15 0.00 0.82 0.00 0.00 66.70 66.01 3grs h VAL 59 Cb 0.12 2.12 0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3grs h VAL 59 CO -0.16 0.41 -0.64 0.78 0.02 0.00 0.00 177.57 177.98 3grs h ASN 60 N -0.18 0.41 -0.10 0.57 2.35 -1.43 -3.39 115.58 113.81 3grs h ASN 60 Ca 0.00 -0.90 -0.19 0.00 -0.55 0.00 0.00 56.30 54.66 3grs h ASN 60 Cb 0.74 -0.13 -0.37 0.00 0.05 0.00 0.00 38.32 38.61 3grs h ASN 60 CO 0.04 1.28 -1.00 1.33 -1.65 0.00 0.00 177.43 177.42 3grs n VAL 61 N -4.23 0.31 0.00 2.81 0.24 -0.27 -4.85 118.33 112.34 3grs n VAL 61 Ca -0.12 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 3grs n VAL 61 Cb 0.73 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 34.15 3grs n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3grs n GLY 62 N 0.17 4.26 0.40 7.63 0.00 0.57 -4.81 105.19 113.40 3grs n GLY 62 Ca 0.04 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 3grs n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grs h VAL 64 N 0.00 0.00 -0.55 0.00 2.07 -1.60 -1.46 116.25 114.70 3grs h VAL 64 Ca 0.22 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3grs h VAL 64 Cb 0.46 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3grs h VAL 64 CO -0.94 0.00 0.37 1.55 0.02 0.00 0.00 177.57 178.57 3grs h PRO 65 N -0.95 0.59 -0.35 1.57 0.13 -1.75 -1.85 132.00 129.39 3grs h PRO 65 Ca -0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3grs h PRO 65 Cb 0.62 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 3grs h PRO 65 CO 0.14 0.39 0.23 -0.22 -0.23 0.00 0.00 178.00 178.31 3grs h LYS 66 N 0.61 0.47 -0.63 0.86 3.11 -1.27 -2.22 116.57 117.50 3grs h LYS 66 Ca 0.22 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.99 3grs h LYS 66 Cb 0.13 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.23 3grs h LYS 66 CO -0.06 0.32 0.23 -0.22 -2.81 0.00 0.00 179.45 176.90 3grs h LYS 67 N 0.48 0.94 -0.46 1.90 1.63 -0.48 0.31 116.57 120.88 3grs h LYS 67 Ca 0.13 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 3grs h LYS 67 Cb -0.05 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 3grs h LYS 67 CO -0.03 0.79 0.15 0.28 -3.45 0.00 0.00 179.45 177.20 3grs h VAL 68 N 0.92 1.22 -0.39 2.00 2.07 -1.23 -0.59 116.25 120.25 3grs h VAL 68 Ca 0.21 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 3grs h VAL 68 Cb 0.22 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3grs h VAL 68 CO -0.01 0.26 -0.04 0.24 0.02 0.00 0.00 177.57 178.03 3grs h MET 69 N 0.61 0.65 -0.56 1.57 2.86 -0.75 -1.97 114.93 117.33 3grs h MET 69 Ca 0.15 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3grs h MET 69 Cb 0.25 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3grs h MET 69 CO -0.01 0.70 0.12 2.35 1.06 0.00 0.00 176.91 181.13 3grs h TRP 70 N 0.60 0.96 -0.33 -0.22 7.01 0.08 -0.75 115.95 123.31 3grs h TRP 70 Ca 0.12 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 3grs h TRP 70 Cb 0.44 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 3grs h TRP 70 CO 0.02 0.84 0.15 -0.91 -2.79 0.00 0.00 178.44 175.74 3grs h ASN 71 N 0.81 0.41 -0.11 2.65 2.35 -0.85 0.89 115.58 121.73 3grs h ASN 71 Ca 0.18 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3grs h ASN 71 Cb 0.37 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3grs h ASN 71 CO 0.01 0.37 -0.03 0.74 -1.65 0.00 0.00 177.43 176.87 3grs h THR 72 N 0.47 1.29 -0.86 2.81 2.02 -0.93 -2.32 112.91 115.39 3grs h THR 72 Ca 0.12 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 3grs h THR 72 Cb 0.08 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3grs h THR 72 CO -0.01 0.27 0.48 0.00 0.37 0.00 0.00 175.52 176.62 3grs h ALA 73 N 0.69 1.10 -0.80 6.16 0.00 -0.42 -2.22 119.26 123.77 3grs h ALA 73 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3grs h ALA 73 Cb 0.44 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3grs h ALA 73 CO 0.01 0.61 0.53 0.28 0.00 0.00 0.00 179.25 180.68 3grs h VAL 74 N 1.20 1.12 -0.84 0.00 2.07 -0.75 -1.77 116.25 117.28 3grs h VAL 74 Ca 0.30 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3grs h VAL 74 Cb 0.02 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 3grs h VAL 74 CO -0.05 0.18 0.40 -0.74 0.02 0.00 0.00 177.57 177.38 3grs h HIS 75 N 0.98 1.21 -0.24 1.57 2.76 -0.83 -1.08 115.15 119.51 3grs h HIS 75 Ca 0.32 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.46 3grs h HIS 75 Cb 0.06 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 3grs h HIS 75 CO -0.00 0.87 0.08 1.03 -1.30 0.00 0.00 177.93 178.61 3grs h SER 76 N 1.19 0.09 -0.24 3.26 0.87 -0.97 -1.16 113.55 116.58 3grs h SER 76 Ca 0.29 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 3grs h SER 76 Cb 0.12 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3grs h SER 76 CO -0.04 0.08 -0.03 -0.33 -0.53 0.00 0.00 176.83 175.99 3grs h GLU 77 N 0.19 0.44 -0.78 2.24 5.08 -1.09 -2.86 114.58 117.80 3grs h GLU 77 Ca 0.11 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3grs h GLU 77 Cb 0.08 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3grs h GLU 77 CO -0.11 0.64 0.50 0.74 -1.00 0.00 0.00 179.01 179.78 3grs h PHE 78 N 0.19 0.94 -0.23 4.33 0.05 -1.21 -1.71 116.94 119.30 3grs h PHE 78 Ca 0.06 0.02 0.07 0.00 3.82 0.00 0.00 57.97 61.95 3grs h PHE 78 Cb 0.46 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 38.09 3grs h PHE 78 CO 0.04 0.55 0.19 1.98 -0.18 0.00 0.00 178.31 180.89 3grs h MET 79 N 0.98 0.00 0.00 1.51 1.85 -1.02 -0.04 114.93 118.21 3grs h MET 79 Ca 0.31 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.37 3grs h MET 79 Cb -0.01 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.02 3grs h MET 79 CO -0.11 0.00 -0.16 0.45 -0.40 0.00 0.00 176.91 176.70 3grs h HIS 80 N 0.00 0.00 -0.06 1.39 3.86 -1.09 -2.82 115.15 116.44 3grs h HIS 80 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3grs h HIS 80 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 3grs h HIS 80 CO 0.00 0.16 0.00 -0.25 0.86 0.00 0.00 177.93 178.70 3grs n ASP 81 N -3.88 1.96 -0.06 2.45 10.43 -0.03 -4.55 116.55 122.87 3grs n ASP 81 Ca -0.02 -1.67 -0.07 0.00 2.57 0.00 0.00 54.79 55.60 3grs n ASP 81 Cb 0.25 -0.03 -0.02 0.00 1.84 0.00 0.00 41.12 43.17 3grs n ASP 81 CO 0.00 0.00 0.00 -0.74 -1.07 0.00 0.00 177.20 175.39 3grs h HIS 82 N 2.97 -0.16 -0.58 1.24 2.76 -1.50 -2.19 115.15 117.70 3grs h HIS 82 Ca 0.00 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 3grs h HIS 82 Cb 0.64 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 3grs h HIS 82 CO 0.03 -0.12 0.09 0.00 -1.30 0.00 0.00 177.93 176.62 3grs h ALA 83 N 1.23 1.07 0.00 5.26 0.00 -1.80 -1.83 119.26 123.19 3grs h ALA 83 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3grs h ALA 83 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3grs h ALA 83 CO -0.27 0.60 -0.05 -0.44 0.00 0.00 0.00 179.25 179.09 3grs h ASP 84 N 0.88 0.00 -0.48 0.00 3.45 -1.69 -1.63 116.42 116.95 3grs h ASP 84 Ca 0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3grs h ASP 84 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3grs h ASP 84 CO 0.01 0.05 0.00 -1.22 -1.57 0.00 0.00 179.24 176.51 3grs n TYR 85 N -3.83 0.69 0.00 4.55 4.02 -0.72 -4.88 117.16 116.99 3grs n TYR 85 Ca -0.03 -0.33 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 3grs n TYR 85 Cb 0.15 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 3grs n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3grs n GLY 86 N 1.23 0.74 3.85 2.72 0.00 -0.61 -5.06 105.19 108.06 3grs n GLY 86 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3grs n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3grs s PHE 87 N -2.00 2.29 0.29 1.61 0.08 -1.00 -5.02 117.98 114.22 3grs s PHE 87 Ca 0.00 -0.64 -0.22 0.00 0.12 0.00 0.00 56.93 56.18 3grs s PHE 87 Cb 0.00 -2.02 -0.09 0.00 -0.57 0.00 0.00 43.02 40.33 3grs s PHE 87 CO 0.00 -0.17 0.84 -2.14 -0.10 0.00 0.00 175.22 173.65 3grs s PRO 88 N -4.13 4.38 0.15 0.24 0.02 -1.26 -3.81 135.00 130.60 3grs s PRO 88 Ca 0.41 1.08 -0.34 0.00 0.02 0.00 0.00 61.00 62.17 3grs s PRO 88 Cb -0.01 -2.77 -0.14 0.00 0.02 0.00 0.00 34.50 31.61 3grs s PRO 88 CO 0.24 0.30 1.58 0.45 -0.33 0.00 0.00 177.00 179.24 3grs n SER 89 N 0.49 3.03 -4.71 2.53 2.88 -1.26 -4.57 113.62 112.01 3grs n SER 89 Ca 0.01 1.08 -0.39 0.00 -1.33 0.00 0.00 58.87 58.24 3grs n SER 89 Cb 0.51 -1.41 -0.06 0.00 -0.75 0.00 0.00 64.21 62.50 3grs n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3grs n GLU 91 N 3.95 0.52 0.00 0.00 0.28 -1.26 -5.02 120.64 119.11 3grs n GLU 91 Ca -0.05 -0.39 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 3grs n GLU 91 Cb 0.51 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.89 3grs n GLU 91 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3grs n GLY 92 N 1.45 4.93 3.69 -1.84 0.00 -1.26 -5.05 105.19 107.11 3grs n GLY 92 Ca 0.07 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 3grs n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3grs s LYS 93 N 1.69 4.24 0.24 1.61 -2.85 -1.26 -5.01 119.74 118.40 3grs s LYS 93 Ca 0.00 2.18 -0.30 0.00 -1.00 0.00 0.00 55.97 56.86 3grs s LYS 93 Cb 0.00 -3.53 -0.09 0.00 -2.06 0.00 0.00 37.83 32.15 3grs s LYS 93 CO 0.00 -0.64 1.07 0.12 0.10 0.00 0.00 175.35 175.99 3grs s PHE 94 N 2.32 3.67 -0.38 1.78 5.36 -1.26 -5.01 117.98 124.46 3grs s PHE 94 Ca 0.69 1.72 -0.05 0.00 -0.96 0.00 0.00 56.93 58.33 3grs s PHE 94 Cb -0.37 -3.22 0.08 0.00 -0.34 0.00 0.00 43.02 39.17 3grs s PHE 94 CO 0.30 -0.35 0.17 1.21 -1.46 0.00 0.00 175.22 175.09 3grs s ASN 95 N -0.74 5.33 0.20 6.13 3.84 -1.26 -4.94 114.94 123.51 3grs s ASN 95 Ca 0.45 -1.60 -0.10 0.00 0.21 0.00 0.00 52.86 51.82 3grs s ASN 95 Cb -0.30 -1.87 0.18 0.00 -0.55 0.00 0.00 41.25 38.71 3grs s ASN 95 CO 0.38 -0.46 1.84 -0.25 -2.79 0.00 0.00 177.10 175.82 3grs h TRP 96 N 8.19 0.79 0.00 0.43 2.91 -1.95 -3.00 115.95 123.32 3grs h TRP 96 Ca -0.19 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.81 3grs h TRP 96 Cb 1.07 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.45 3grs h TRP 96 CO 0.59 0.45 -0.20 0.07 -1.03 0.00 0.00 178.44 178.33 3grs h ARG 97 N 0.83 0.00 0.20 2.65 0.11 -1.93 -0.10 114.38 116.15 3grs h ARG 97 Ca 0.27 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.34 3grs h ARG 97 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 3grs h ARG 97 CO -0.11 0.20 -0.10 0.28 0.10 0.00 0.00 179.97 180.34 3grs h VAL 98 N 0.00 0.80 0.00 0.08 2.07 -1.91 -1.15 116.25 116.14 3grs h VAL 98 Ca -0.00 -0.02 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 3grs h VAL 98 Cb 0.46 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3grs h VAL 98 CO 0.03 0.00 -0.83 -0.29 0.02 0.00 0.00 177.57 176.50 3grs h ILE 99 N -0.28 1.52 -0.47 4.57 6.09 -1.57 -2.73 117.51 124.64 3grs h ILE 99 Ca -0.03 -2.90 -0.01 0.00 -1.37 0.00 0.00 64.86 60.55 3grs h ILE 99 Cb 0.22 2.60 -0.02 0.00 0.47 0.00 0.00 36.82 40.08 3grs h ILE 99 CO 0.05 0.81 0.25 0.50 -3.07 0.00 0.00 178.15 176.69 3grs h LYS 100 N 0.00 0.65 -0.74 2.19 3.64 -0.85 0.36 116.57 121.82 3grs h LYS 100 Ca -0.01 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3grs h LYS 100 Cb 1.53 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.19 3grs h LYS 100 CO 0.11 0.52 0.44 0.93 -2.27 0.00 0.00 179.45 179.18 3grs h GLU 101 N 0.61 1.01 -0.17 1.90 5.08 -1.13 -1.10 114.58 120.79 3grs h GLU 101 Ca 0.16 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 3grs h GLU 101 Cb 0.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3grs h GLU 101 CO -0.03 0.72 -0.46 0.87 -1.00 0.00 0.00 179.01 179.11 3grs h LYS 102 N 1.01 0.41 -0.25 2.33 1.57 -1.17 -1.87 116.57 118.61 3grs h LYS 102 Ca 0.26 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3grs h LYS 102 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3grs h LYS 102 CO -0.05 0.79 0.01 -0.09 -0.57 0.00 0.00 179.45 179.55 3grs h ARG 103 N 0.33 0.43 -0.89 3.15 2.43 -0.65 -1.90 114.38 117.29 3grs h ARG 103 Ca 0.02 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3grs h ARG 103 Cb 0.94 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 3grs h ARG 103 CO 0.08 0.59 0.59 -0.44 -1.51 0.00 0.00 179.97 179.28 3grs h ASP 104 N 0.22 1.01 -0.59 -3.80 3.32 -1.08 -1.75 116.42 113.75 3grs h ASP 104 Ca 0.07 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3grs h ASP 104 Cb 0.39 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3grs h ASP 104 CO 0.01 0.73 0.26 0.00 -1.72 0.00 0.00 179.24 178.52 3grs h ALA 105 N 1.33 0.77 -0.79 3.45 0.00 -1.22 -1.73 119.26 121.07 3grs h ALA 105 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3grs h ALA 105 Cb -0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 3grs h ALA 105 CO -0.07 0.36 0.45 -0.92 0.00 0.00 0.00 179.25 179.07 3grs h TYR 106 N 0.82 1.08 -0.90 0.00 3.20 -0.91 -0.70 116.97 119.55 3grs h TYR 106 Ca 0.20 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3grs h TYR 106 Cb 0.17 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 3grs h TYR 106 CO 0.01 0.75 0.52 0.28 -1.64 0.00 0.00 178.16 178.08 3grs h VAL 107 N 1.10 1.25 -0.81 1.81 2.07 -1.14 -1.94 116.25 118.59 3grs h VAL 107 Ca 0.28 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3grs h VAL 107 Cb 0.02 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 3grs h VAL 107 CO -0.05 0.28 0.53 0.28 0.02 0.00 0.00 177.57 178.63 3grs h SER 108 N 1.25 0.94 -0.56 0.57 0.02 -0.58 -0.21 113.55 114.99 3grs h SER 108 Ca 0.32 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3grs h SER 108 Cb -0.02 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3grs h SER 108 CO -0.06 0.69 0.37 0.03 -1.14 0.00 0.00 176.83 176.72 3grs h ARG 109 N 1.10 0.74 -0.53 3.45 3.08 -0.73 -2.59 114.38 118.90 3grs h ARG 109 Ca 0.30 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 3grs h ARG 109 Cb -0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 3grs h ARG 109 CO -0.06 0.50 0.00 -0.07 -1.07 0.00 0.00 179.97 179.27 3grs h LEU 110 N 0.76 0.91 -0.81 3.04 3.38 -0.90 -2.29 115.31 119.41 3grs h LEU 110 Ca 0.20 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.96 3grs h LEU 110 Cb -0.08 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.36 3grs h LEU 110 CO -0.04 1.00 0.46 0.78 0.09 0.00 0.00 178.44 180.73 3grs h ASN 111 N 0.80 0.67 -0.30 -0.43 -0.26 -0.81 -1.90 115.58 113.37 3grs h ASN 111 Ca 0.15 0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 55.83 3grs h ASN 111 Cb 0.53 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 3grs h ASN 111 CO 0.03 0.39 -0.18 0.00 -1.06 0.00 0.00 177.43 176.60 3grs h ALA 112 N 1.44 0.93 -0.51 -0.83 0.00 -1.17 -2.53 119.26 116.59 3grs h ALA 112 Ca 0.38 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3grs h ALA 112 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3grs h ALA 112 CO -0.24 0.62 0.22 0.82 0.00 0.00 0.00 179.25 180.67 3grs h ILE 113 N 0.67 1.21 -0.71 0.00 2.04 -0.98 -1.61 117.51 118.12 3grs h ILE 113 Ca 0.10 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 3grs h ILE 113 Cb 0.68 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3grs h ILE 113 CO 0.05 0.24 0.17 1.88 0.00 0.00 0.00 178.15 180.49 3grs h TYR 114 N 0.68 1.20 -0.30 1.37 -1.99 -1.24 0.15 116.97 116.85 3grs h TYR 114 Ca 0.17 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 3grs h TYR 114 Cb 0.16 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 3grs h TYR 114 CO 0.00 0.97 0.14 0.37 -0.00 0.00 0.00 178.16 179.64 3grs h GLN 115 N 1.08 0.43 -0.83 4.88 4.15 -1.33 -2.11 115.11 121.39 3grs h GLN 115 Ca 0.22 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3grs h GLN 115 Cb 0.38 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 3grs h GLN 115 CO 0.00 0.41 0.49 -0.97 -1.93 0.00 0.00 178.83 176.83 3grs h ASN 116 N 0.34 1.00 -0.85 -0.69 -0.00 -0.96 -1.49 115.58 112.93 3grs h ASN 116 Ca 0.10 -0.06 0.04 0.00 -0.00 0.00 0.00 56.30 56.38 3grs h ASN 116 Cb 0.13 -0.25 -0.05 0.00 -0.00 0.00 0.00 38.32 38.14 3grs h ASN 116 CO -0.01 0.78 0.56 0.78 -0.00 0.00 0.00 177.43 179.53 3grs h ASN 117 N 1.15 0.89 -0.20 1.15 -0.26 -0.29 -0.24 115.58 117.78 3grs h ASN 117 Ca 0.30 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.94 3grs h ASN 117 Cb -0.03 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.02 3grs h ASN 117 CO -0.05 0.61 -0.22 -0.07 -1.06 0.00 0.00 177.43 176.63 3grs h LEU 118 N 1.03 0.55 -0.39 1.61 3.38 -0.69 -2.89 115.31 117.91 3grs h LEU 118 Ca 0.34 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3grs h LEU 118 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3grs h LEU 118 CO -0.11 0.92 0.16 0.71 0.09 0.00 0.00 178.44 180.22 3grs h THR 119 N 0.18 1.19 -0.01 0.22 1.35 -0.65 -1.51 112.91 113.68 3grs h THR 119 Ca 0.03 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3grs h THR 119 Cb 0.78 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3grs h THR 119 CO 0.05 0.20 0.02 0.11 -0.25 0.00 0.00 175.52 175.65 3grs h LYS 120 N 0.48 0.00 -0.01 4.72 1.57 -1.07 0.18 116.57 122.44 3grs h LYS 120 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3grs h LYS 120 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3grs h LYS 120 CO -0.01 0.00 -0.23 0.43 -0.57 0.00 0.00 179.45 179.07 3grs n SER 121 N -3.61 1.44 -1.07 0.86 7.64 -0.68 -4.95 113.62 113.25 3grs n SER 121 Ca -0.03 -1.20 -0.10 0.00 1.01 0.00 0.00 58.87 58.55 3grs n SER 121 Cb 0.10 0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.45 3grs n SER 121 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3grs n HIS 122 N -0.23 -0.43 -3.45 1.43 8.25 0.63 -4.91 115.22 116.51 3grs n HIS 122 Ca 0.13 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.22 3grs n HIS 122 Cb 0.39 -2.34 -0.07 0.00 1.12 0.00 0.00 29.99 29.09 3grs n HIS 122 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3grs s ILE 123 N -2.47 5.25 0.23 1.59 1.01 -0.66 -4.73 121.20 121.42 3grs s ILE 123 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 3grs s ILE 123 Cb 0.00 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 3grs s ILE 123 CO 0.00 0.37 1.07 -0.70 0.00 0.00 0.00 174.94 175.68 3grs s GLU 124 N 0.46 4.66 -0.23 2.79 2.12 -1.00 -4.46 118.70 123.05 3grs s GLU 124 Ca 0.21 1.70 -0.06 0.00 0.36 0.00 0.00 54.97 57.18 3grs s GLU 124 Cb -0.14 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 3grs s GLU 124 CO 0.07 0.22 0.02 0.42 -0.54 0.00 0.00 175.26 175.45 3grs s ILE 125 N -0.78 4.00 -0.24 -3.70 1.01 -1.26 0.11 121.20 120.35 3grs s ILE 125 Ca 0.46 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 3grs s ILE 125 Cb -0.30 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3grs s ILE 125 CO 0.37 0.39 0.03 -0.63 0.00 0.00 0.00 174.94 175.09 3grs s ILE 126 N 1.38 3.95 -0.15 2.92 1.01 1.00 -4.92 121.20 126.38 3grs s ILE 126 Ca 0.05 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 3grs s ILE 126 Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3grs s ILE 126 CO 0.01 0.37 0.44 -0.13 0.00 0.00 0.00 174.94 175.64 3grs s ARG 127 N 1.54 4.28 0.00 2.79 3.00 -1.26 -1.38 118.95 127.92 3grs s ARG 127 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 55.73 56.13 3grs s ARG 127 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.33 3grs s ARG 127 CO 0.01 0.10 0.00 0.41 0.00 0.00 0.00 175.30 175.82 3grs n GLY 128 N 3.48 1.14 3.65 -3.53 0.00 -0.34 -4.90 105.19 104.69 3grs n GLY 128 Ca -0.08 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 3grs n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3grs s HIS 129 N -1.06 3.31 0.21 1.61 2.46 -1.26 -2.65 115.29 117.92 3grs s HIS 129 Ca 0.00 0.40 -0.12 0.00 0.47 0.00 0.00 55.06 55.82 3grs s HIS 129 Cb 0.00 -2.44 -0.07 0.00 -0.13 0.00 0.00 32.58 29.94 3grs s HIS 129 CO 0.00 -0.04 0.56 0.00 -2.47 0.00 0.00 174.74 172.79 3grs s ALA 130 N 1.42 3.55 -0.02 1.58 0.00 -1.26 -4.50 121.76 122.54 3grs s ALA 130 Ca 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 3grs s ALA 130 Cb -0.15 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 20.49 3grs s ALA 130 CO 0.07 0.48 0.14 0.00 0.00 0.00 0.00 175.76 176.45 3grs s ALA 131 N -1.70 -0.33 0.65 0.00 0.00 -1.17 -4.65 121.76 114.56 3grs s ALA 131 Ca 0.44 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.34 3grs s ALA 131 Cb -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 3grs s ALA 131 CO 0.20 -0.15 1.08 -0.06 0.00 0.00 0.00 175.76 176.83 3grs s PHE 132 N -0.79 2.87 0.47 0.00 0.40 0.34 -1.00 117.98 120.26 3grs s PHE 132 Ca -0.09 1.51 0.07 0.00 -0.60 0.00 0.00 56.93 57.82 3grs s PHE 132 Cb -0.05 -3.03 0.01 0.00 0.51 0.00 0.00 43.02 40.45 3grs s PHE 132 CO 0.01 -1.36 0.42 0.95 0.70 0.00 0.00 175.22 175.94 3grs s THR 133 N -2.58 2.29 0.18 0.64 -4.23 0.48 -4.78 115.64 107.64 3grs s THR 133 Ca 0.63 -1.36 0.32 0.00 -1.18 0.00 0.00 61.69 60.10 3grs s THR 133 Cb -0.17 -2.65 0.35 0.00 1.34 0.00 0.00 72.50 71.37 3grs s THR 133 CO 0.43 0.00 1.99 0.77 -0.54 0.00 0.00 174.62 177.27 3grs h SER 134 N 0.86 0.00 -2.99 3.99 4.64 -1.87 -3.44 113.55 114.74 3grs h SER 134 Ca -0.39 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.35 3grs h SER 134 Cb 1.28 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.52 3grs h SER 134 CO 0.56 0.06 -0.06 0.47 -0.87 0.00 0.00 176.83 176.99 3grs n ASP 135 N -3.21 0.31 0.05 4.97 9.92 -1.26 -4.96 116.55 122.37 3grs n ASP 135 Ca -0.00 0.91 -0.02 0.00 -0.53 0.00 0.00 54.79 55.15 3grs n ASP 135 Cb 0.31 -1.28 -0.01 0.00 -0.64 0.00 0.00 41.12 39.50 3grs n ASP 135 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3grs h PRO 136 N 0.95 -0.13 -6.62 -0.24 0.11 -1.96 -3.40 132.00 120.71 3grs h PRO 136 Ca -0.45 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.15 3grs h PRO 136 Cb 1.37 0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.54 3grs h PRO 136 CO 0.53 -0.09 0.70 -1.59 -0.21 0.00 0.00 178.00 177.34 3grs s LYS 137 N -3.21 4.35 -0.14 1.05 -2.85 -1.26 -4.85 119.74 112.82 3grs s LYS 137 Ca -0.02 2.09 -0.37 0.00 -1.00 0.00 0.00 55.97 56.66 3grs s LYS 137 Cb 0.00 -3.21 -0.14 0.00 -2.06 0.00 0.00 37.83 32.42 3grs s LYS 137 CO 0.06 -0.36 1.75 -2.30 0.10 0.00 0.00 175.35 174.60 3grs n PRO 138 N 3.24 1.61 -3.88 1.78 -0.02 -1.26 -4.92 135.00 131.54 3grs n PRO 138 Ca 0.09 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 3grs n PRO 138 Cb 0.42 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 3grs n PRO 138 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3grs s THR 139 N 3.25 0.04 0.28 3.45 2.01 -1.26 -4.35 115.64 119.06 3grs s THR 139 Ca 0.93 -0.31 0.11 0.00 0.31 0.00 0.00 61.69 62.74 3grs s THR 139 Cb -0.89 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 3grs s THR 139 CO 0.57 -0.17 -0.10 0.27 -0.69 0.00 0.00 174.62 174.50 3grs s ILE 140 N -0.51 2.83 -0.07 1.82 -4.36 -0.78 -0.39 121.20 119.75 3grs s ILE 140 Ca -0.06 -2.18 0.04 0.00 -0.26 0.00 0.00 60.65 58.20 3grs s ILE 140 Cb -0.04 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.11 3grs s ILE 140 CO 0.00 -0.36 -0.20 -0.70 0.24 0.00 0.00 174.94 173.92 3grs s GLU 141 N -3.60 2.34 -0.16 0.37 2.12 -0.17 -1.08 118.70 118.53 3grs s GLU 141 Ca 0.31 -0.71 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 3grs s GLU 141 Cb -0.05 -1.88 0.05 0.00 0.26 0.00 0.00 34.13 32.51 3grs s GLU 141 CO 0.17 0.19 0.02 0.08 -0.54 0.00 0.00 175.26 175.19 3grs s VAL 142 N 0.26 0.50 -1.21 3.70 1.01 0.23 -3.02 120.40 121.87 3grs s VAL 142 Ca -0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3grs s VAL 142 Cb -0.15 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3grs s VAL 142 CO 0.05 -0.09 1.04 -1.20 0.00 0.00 0.00 175.10 174.91 3grs n SER 143 N 5.07 -4.59 0.00 3.32 7.64 -1.26 -2.43 113.62 121.37 3grs n SER 143 Ca -0.09 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.26 3grs n SER 143 Cb 0.48 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 3grs n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3grs n GLY 144 N -1.62 3.01 3.90 0.23 0.00 -1.26 -5.01 105.19 104.43 3grs n GLY 144 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3grs n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grs s LYS 145 N -0.21 3.59 0.02 1.61 1.02 -1.02 -5.07 119.74 119.68 3grs s LYS 145 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 55.97 55.86 3grs s LYS 145 Cb 0.00 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3grs s LYS 145 CO 0.00 0.55 0.15 0.15 -0.92 0.00 0.00 175.35 175.28 3grs s LYS 146 N -2.33 3.29 -0.03 1.68 1.02 -1.26 -0.60 119.74 121.51 3grs s LYS 146 Ca 0.36 -0.43 -0.06 0.00 0.02 0.00 0.00 55.97 55.86 3grs s LYS 146 Cb -0.13 -2.99 0.01 0.00 -0.52 0.00 0.00 37.83 34.21 3grs s LYS 146 CO 0.22 0.64 0.14 0.71 -0.92 0.00 0.00 175.35 176.14 3grs s TYR 147 N -1.35 -0.06 0.12 3.18 2.02 -0.24 -2.62 117.35 118.40 3grs s TYR 147 Ca 0.28 0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 57.06 3grs s TYR 147 Cb -0.13 0.00 -0.01 0.00 -0.40 0.00 0.00 41.96 41.43 3grs s TYR 147 CO 0.20 -0.17 0.20 -0.08 -1.57 0.00 0.00 175.55 174.13 3grs s THR 148 N -0.58 0.11 -0.06 -0.71 -1.32 -0.34 -1.86 115.64 110.87 3grs s THR 148 Ca -0.07 -1.39 -0.29 0.00 -1.21 0.00 0.00 61.69 58.73 3grs s THR 148 Cb -0.04 -1.65 0.10 0.00 -1.51 0.00 0.00 72.50 69.40 3grs s THR 148 CO 0.01 -0.50 0.86 0.00 -2.21 0.00 0.00 174.62 172.77 3grs s ALA 149 N -3.93 -1.83 -0.64 11.08 0.00 -1.26 -1.54 121.76 123.64 3grs s ALA 149 Ca 0.12 1.27 0.24 0.00 0.00 0.00 0.00 51.96 53.59 3grs s ALA 149 Cb 0.05 -0.08 0.91 0.00 0.00 0.00 0.00 23.12 23.99 3grs s ALA 149 CO -0.05 -0.47 1.72 -0.35 0.00 0.00 0.00 175.76 176.62 3grs n PRO 150 N 0.40 0.19 -3.81 0.00 -0.04 -1.26 -4.55 135.00 125.93 3grs n PRO 150 Ca -0.12 0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 3grs n PRO 150 Cb 0.59 -1.79 -0.17 0.00 -0.04 0.00 0.00 33.50 32.09 3grs n PRO 150 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3grs s HIS 151 N -3.20 1.06 -0.14 0.54 3.76 -1.25 -4.52 115.29 111.55 3grs s HIS 151 Ca 0.07 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 3grs s HIS 151 Cb 0.11 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.80 3grs s HIS 151 CO 0.46 -0.46 -0.18 0.42 -0.85 0.00 0.00 174.74 174.13 3grs s ILE 152 N 1.84 1.76 -0.20 0.60 1.01 0.26 -2.19 121.20 124.28 3grs s ILE 152 Ca 0.04 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 3grs s ILE 152 Cb -0.13 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 3grs s ILE 152 CO -0.07 0.49 0.07 -0.22 0.00 0.00 0.00 174.94 175.22 3grs s LEU 153 N 1.13 3.74 -0.28 2.97 2.96 -0.01 -1.02 118.68 128.16 3grs s LEU 153 Ca -0.02 0.00 -0.13 0.00 -0.22 0.00 0.00 54.13 53.77 3grs s LEU 153 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3grs s LEU 153 CO -0.06 0.11 0.28 -0.63 -1.32 0.00 0.00 176.35 174.73 3grs s ILE 154 N 0.76 5.24 -0.36 6.68 1.01 0.17 -0.50 121.20 134.20 3grs s ILE 154 Ca 0.04 0.30 0.14 0.00 0.00 0.00 0.00 60.65 61.13 3grs s ILE 154 Cb -0.13 -3.64 0.39 0.00 0.01 0.00 0.00 42.46 39.09 3grs s ILE 154 CO 0.02 0.17 0.82 0.00 0.00 0.00 0.00 174.94 175.95 3grs n ALA 155 N 5.20 2.61 1.77 9.38 0.00 0.11 -2.76 120.51 136.82 3grs n ALA 155 Ca -0.11 -3.33 0.15 0.00 0.00 0.00 0.00 53.44 50.15 3grs n ALA 155 Cb 0.51 -0.93 0.76 0.00 0.00 0.00 0.00 19.45 19.79 3grs n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3grs n THR 156 N 0.13 0.00 -4.76 0.00 -2.24 -1.22 -4.37 114.28 101.83 3grs n THR 156 Ca 0.19 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3grs n THR 156 Cb 0.71 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3grs n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3grs n GLY 157 N 1.08 0.59 0.00 3.38 0.00 -1.26 -4.59 105.19 104.39 3grs n GLY 157 Ca 0.22 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3grs n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3grs n GLY 158 N 0.00 4.90 3.52 -0.02 0.00 -1.26 -1.16 105.19 111.17 3grs n GLY 158 Ca 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 3grs n GLY 158 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3grs s MET 159 N 0.17 1.38 0.38 1.61 -1.94 0.34 -4.73 119.30 116.51 3grs s MET 159 Ca 0.00 -0.79 -0.25 0.00 -1.71 0.00 0.00 55.69 52.94 3grs s MET 159 Cb 0.00 0.54 -0.09 0.00 2.01 0.00 0.00 34.83 37.29 3grs s MET 159 CO 0.00 -0.59 1.07 -2.14 -0.01 0.00 0.00 175.02 173.35 3grs s PRO 160 N -3.85 4.24 0.07 2.03 0.02 -1.26 0.55 135.00 136.81 3grs s PRO 160 Ca 0.07 1.61 -0.19 0.00 0.02 0.00 0.00 61.00 62.51 3grs s PRO 160 Cb -0.01 -2.68 -0.07 0.00 0.02 0.00 0.00 34.50 31.76 3grs s PRO 160 CO -0.04 -0.09 0.57 0.45 -0.33 0.00 0.00 177.00 177.55 3grs s SER 161 N -1.38 7.07 0.11 2.53 0.15 -0.19 -4.64 113.70 117.34 3grs s SER 161 Ca 0.55 1.27 0.07 0.00 0.70 0.00 0.00 55.95 58.54 3grs s SER 161 Cb -0.25 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3grs s SER 161 CO 0.31 0.27 -0.16 0.42 1.20 0.00 0.00 173.24 175.28 3grs s THR 162 N -1.09 1.46 0.56 6.45 -4.23 -1.26 -4.59 115.64 112.93 3grs s THR 162 Ca 0.29 -1.61 -0.17 0.00 -1.18 0.00 0.00 61.69 59.02 3grs s THR 162 Cb -0.20 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 3grs s THR 162 CO 0.19 -0.27 1.05 -2.84 -0.54 0.00 0.00 174.62 172.21 3grs s PRO 163 N -2.29 3.50 0.22 3.99 0.02 -1.26 -5.01 135.00 134.16 3grs s PRO 163 Ca 0.07 1.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.03 3grs s PRO 163 Cb -0.07 -2.06 -0.08 0.00 0.02 0.00 0.00 34.50 32.30 3grs s PRO 163 CO 0.04 -0.67 0.99 -1.01 -0.33 0.00 0.00 177.00 176.02 3grs s HIS 164 N -2.31 3.85 0.52 6.54 3.76 -1.26 -4.71 115.29 121.68 3grs s HIS 164 Ca 0.65 1.83 0.21 0.00 -0.15 0.00 0.00 55.06 57.60 3grs s HIS 164 Cb -0.16 -3.07 1.32 0.00 1.11 0.00 0.00 32.58 31.78 3grs s HIS 164 CO 0.31 0.14 2.05 1.49 -0.85 0.00 0.00 174.74 177.88 3grs h GLU 165 N 4.40 0.03 -0.56 1.40 4.57 -1.96 0.10 114.58 122.57 3grs h GLU 165 Ca -0.45 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.71 3grs h GLU 165 Cb 1.20 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 3grs h GLU 165 CO 0.69 0.02 0.27 0.66 -1.18 0.00 0.00 179.01 179.47 3grs h SER 166 N 0.04 0.70 0.31 1.04 4.64 -2.00 -3.09 113.55 115.18 3grs h SER 166 Ca 0.17 -0.06 -0.33 0.00 -0.47 0.00 0.00 61.79 61.10 3grs h SER 166 Cb 0.63 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 3grs h SER 166 CO -0.01 0.59 -1.89 0.00 -0.87 0.00 0.00 176.83 174.65 3grs n GLN 167 N -4.37 0.68 -3.63 4.77 10.64 -0.32 -4.74 117.38 120.40 3grs n GLN 167 Ca 0.05 0.25 -0.29 0.00 -1.83 0.00 0.00 57.00 55.18 3grs n GLN 167 Cb 0.12 -1.73 -0.15 0.00 -0.86 0.00 0.00 30.24 27.62 3grs n GLN 167 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3grs s ILE 168 N -2.57 0.36 0.26 -0.39 1.01 -0.13 -4.98 121.20 114.76 3grs s ILE 168 Ca -0.12 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 3grs s ILE 168 Cb 0.07 -1.29 -0.10 0.00 0.01 0.00 0.00 42.46 41.16 3grs s ILE 168 CO 0.80 -0.70 1.34 -2.84 0.00 0.00 0.00 174.94 173.54 3grs s PRO 169 N 1.88 4.35 0.00 2.79 0.02 -1.17 -2.14 135.00 140.73 3grs s PRO 169 Ca 0.09 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3grs s PRO 169 Cb -0.17 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3grs s PRO 169 CO -0.31 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3grs n GLY 170 N 1.74 0.48 0.31 0.52 0.00 -1.26 -0.43 105.19 106.56 3grs n GLY 170 Ca 0.04 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.82 3grs n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grs h ALA 171 N 0.00 1.77 0.00 4.61 0.00 -1.71 -2.20 119.26 121.73 3grs h ALA 171 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3grs h ALA 171 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3grs h ALA 171 CO 0.00 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 3grs n SER 172 N -4.48 0.00 0.06 0.00 3.41 -1.26 -1.28 113.62 110.06 3grs n SER 172 Ca 0.04 0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 3grs n SER 172 Cb 0.10 -0.29 0.50 0.00 -0.26 0.00 0.00 64.21 64.26 3grs n SER 172 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3grs n LEU 173 N -1.29 0.45 -4.94 1.04 4.77 -0.83 -4.84 117.00 111.36 3grs n LEU 173 Ca 0.05 0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 56.32 3grs n LEU 173 Cb 0.09 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3grs n LEU 173 CO 0.09 -0.09 0.36 -0.83 -1.33 0.00 0.00 177.39 175.59 3grs s GLY 174 N -3.31 1.56 0.48 -0.72 0.00 -0.41 -4.73 107.32 100.19 3grs s GLY 174 Ca 0.12 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 44.00 3grs s GLY 174 CO 0.57 -0.70 0.24 -0.26 0.00 0.00 0.00 173.10 172.95 3grs s ILE 175 N -2.68 1.85 0.40 0.90 -4.36 0.97 -4.94 121.20 113.34 3grs s ILE 175 Ca 0.49 -1.67 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 3grs s ILE 175 Cb -0.10 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.10 3grs s ILE 175 CO 0.40 0.00 0.09 0.35 0.24 0.00 0.00 174.94 176.03 3grs n THR 176 N -1.45 0.00 0.08 8.37 -2.24 -1.26 -0.68 114.28 117.10 3grs n THR 176 Ca -0.05 -1.79 0.17 0.00 -2.27 0.00 0.00 64.05 60.11 3grs n THR 176 Cb 0.65 0.22 0.68 0.00 -2.10 0.00 0.00 70.33 69.78 3grs n THR 176 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3grs h SER 177 N 0.81 0.00 -0.33 3.42 4.64 -1.98 -0.96 113.55 119.15 3grs h SER 177 Ca -0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 3grs h SER 177 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3grs h SER 177 CO 0.50 0.00 0.15 0.44 -0.87 0.00 0.00 176.83 177.05 3grs h ASP 178 N 0.00 0.43 0.31 4.97 3.32 -1.95 -2.14 116.42 121.36 3grs h ASP 178 Ca 0.17 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3grs h ASP 178 Cb 0.70 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3grs h ASP 178 CO -0.00 0.44 -0.28 1.23 -1.72 0.00 0.00 179.24 178.91 3grs h GLY 179 N 0.39 0.00 0.98 2.75 0.00 -1.59 -2.31 103.07 103.29 3grs h GLY 179 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.50 3grs h GLY 179 CO -0.01 0.00 0.54 -2.75 0.00 0.00 0.00 176.54 174.32 3grs h PHE 180 N 0.00 0.94 0.00 5.60 3.04 -0.60 -1.21 116.94 124.71 3grs h PHE 180 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3grs h PHE 180 Cb 0.51 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.71 3grs h PHE 180 CO 0.00 0.51 0.00 1.19 -2.02 0.00 0.00 178.31 177.99 3grs n PHE 181 N -4.47 0.00 0.75 0.41 3.72 -0.87 -2.43 117.46 114.57 3grs n PHE 181 Ca 0.12 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.60 3grs n PHE 181 Cb 0.18 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 38.40 3grs n PHE 181 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3grs n GLN 182 N -1.22 1.03 -1.82 -1.08 6.02 -0.48 -5.00 117.38 114.83 3grs n GLN 182 Ca 0.16 -0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.73 3grs n GLN 182 Cb 0.20 -1.35 0.01 0.00 1.02 0.00 0.00 30.24 30.12 3grs n GLN 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3grs s LEU 183 N -3.00 4.17 0.00 1.08 1.43 -1.02 -4.91 118.68 116.42 3grs s LEU 183 Ca 0.05 2.92 0.11 0.00 -1.03 0.00 0.00 54.13 56.18 3grs s LEU 183 Cb 0.13 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3grs s LEU 183 CO 0.74 -1.08 0.59 -0.62 0.23 0.00 0.00 176.35 176.20 3grs n GLU 184 N -0.03 2.53 -4.07 1.70 1.02 -1.26 -4.99 120.64 115.54 3grs n GLU 184 Ca 0.04 -0.43 -0.09 0.00 -0.02 0.00 0.00 57.16 56.65 3grs n GLU 184 Cb 0.41 -1.07 -0.11 0.00 -0.02 0.00 0.00 31.44 30.66 3grs n GLU 184 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3grs s GLU 185 N -1.60 0.57 -0.18 3.49 0.41 -1.26 -4.19 118.70 115.94 3grs s GLU 185 Ca 0.07 -1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 53.34 3grs s GLU 185 Cb 0.08 -0.01 -0.02 0.00 -1.78 0.00 0.00 34.13 32.41 3grs s GLU 185 CO 0.32 -0.04 1.40 -1.17 -0.49 0.00 0.00 175.26 175.28 3grs s LEU 186 N -2.31 4.09 0.33 1.80 2.96 -1.26 -4.98 118.68 119.31 3grs s LEU 186 Ca -0.01 1.68 -0.29 0.00 -0.22 0.00 0.00 54.13 55.29 3grs s LEU 186 Cb -0.01 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.04 3grs s LEU 186 CO -0.04 -0.94 1.37 -2.84 -1.32 0.00 0.00 176.35 172.58 3grs s PRO 187 N 3.94 4.28 0.13 0.98 0.02 -1.26 -4.94 135.00 138.15 3grs s PRO 187 Ca 0.61 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.83 3grs s PRO 187 Cb -0.23 -3.06 -0.07 0.00 0.02 0.00 0.00 34.50 31.16 3grs s PRO 187 CO 0.21 -0.31 1.44 0.78 -0.33 0.00 0.00 177.00 178.79 3grs h GLY 188 N 3.62 0.98 -6.69 0.52 0.00 -1.94 -3.40 103.07 96.16 3grs h GLY 188 Ca -0.49 -1.07 -0.47 0.00 0.00 0.00 0.00 47.33 45.30 3grs h GLY 188 CO 0.68 0.96 -0.78 -1.60 0.00 0.00 0.00 176.54 175.80 3grs s ARG 189 N -4.27 1.03 0.01 4.80 6.06 -1.26 -1.03 118.95 124.28 3grs s ARG 189 Ca -0.11 -0.08 0.04 0.00 -2.50 0.00 0.00 55.73 53.07 3grs s ARG 189 Cb 0.10 -1.18 -0.01 0.00 0.06 0.00 0.00 34.95 33.92 3grs s ARG 189 CO 0.88 -0.23 -0.12 -1.54 -2.50 0.00 0.00 175.30 171.79 3grs s SER 190 N 1.61 1.44 -0.12 -2.12 1.04 -0.53 -1.03 113.70 113.99 3grs s SER 190 Ca 0.01 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.15 3grs s SER 190 Cb -0.13 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 65.88 3grs s SER 190 CO -0.05 0.10 -0.14 -0.69 0.98 0.00 0.00 173.24 173.44 3grs s VAL 191 N -0.49 1.50 -0.13 5.02 1.01 -0.12 -1.18 120.40 126.01 3grs s VAL 191 Ca 0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3grs s VAL 191 Cb -0.06 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3grs s VAL 191 CO 0.00 0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.84 3grs s ILE 192 N 1.20 3.61 -0.27 2.22 1.01 0.20 -1.03 121.20 128.13 3grs s ILE 192 Ca -0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 3grs s ILE 192 Cb -0.14 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 3grs s ILE 192 CO -0.05 0.52 0.06 -0.69 0.00 0.00 0.00 174.94 174.79 3grs s VAL 193 N 0.14 4.00 0.00 2.92 1.01 -0.15 -0.38 120.40 127.94 3grs s VAL 193 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3grs s VAL 193 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3grs s VAL 193 CO 0.03 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3grs n GLY 194 N 4.88 4.23 0.09 4.51 0.00 -0.60 -0.08 105.19 118.22 3grs n GLY 194 Ca -0.15 -1.53 0.01 0.00 0.00 0.00 0.00 46.02 44.35 3grs n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grs n ALA 195 N -2.00 1.65 -1.98 4.61 0.00 -1.26 -4.63 120.51 116.90 3grs n ALA 195 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 53.44 52.15 3grs n ALA 195 Cb 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 19.45 19.45 3grs n ALA 195 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3grs s GLY 196 N -0.88 1.77 0.30 0.00 0.00 -1.26 -0.11 107.32 107.14 3grs s GLY 196 Ca 0.04 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.08 3grs s GLY 196 CO 0.00 -1.02 1.90 0.10 0.00 0.00 0.00 173.10 174.08 3grs h TYR 197 N -0.89 1.05 -0.49 1.90 -0.00 -1.97 -1.42 116.97 115.15 3grs h TYR 197 Ca -0.37 0.03 -0.04 0.00 0.00 0.00 0.00 58.73 58.34 3grs h TYR 197 Cb 1.25 -0.34 -0.02 0.00 0.00 0.00 0.00 36.73 37.62 3grs h TYR 197 CO -0.56 0.53 0.13 0.82 -0.00 0.00 0.00 178.16 179.08 3grs h ILE 198 N 1.02 1.24 0.01 -0.90 2.04 -1.95 0.54 117.51 119.51 3grs h ILE 198 Ca 0.40 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.46 3grs h ILE 198 Cb 0.25 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3grs h ILE 198 CO -0.16 0.29 -0.06 0.00 0.00 0.00 0.00 178.15 178.23 3grs h ALA 199 N 0.99 -0.07 -0.48 1.87 0.00 -1.68 -0.62 119.26 119.28 3grs h ALA 199 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3grs h ALA 199 Cb 0.31 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3grs h ALA 199 CO -0.00 -0.55 0.24 0.28 0.00 0.00 0.00 179.25 179.22 3grs h VAL 200 N -0.10 0.96 -0.28 0.00 2.07 -1.02 -0.73 116.25 117.14 3grs h VAL 200 Ca 0.02 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3grs h VAL 200 Cb 0.13 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3grs h VAL 200 CO -0.05 0.09 -0.03 -0.33 0.02 0.00 0.00 177.57 177.26 3grs h GLU 201 N 0.47 0.52 -0.40 1.57 5.08 -0.58 -1.80 114.58 119.44 3grs h GLU 201 Ca 0.21 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3grs h GLU 201 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3grs h GLU 201 CO -0.15 0.70 0.23 0.52 -1.00 0.00 0.00 179.01 179.31 3grs h MET 202 N 0.29 0.55 -0.80 2.33 2.86 -0.94 -2.01 114.93 117.20 3grs h MET 202 Ca 0.08 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3grs h MET 202 Cb 0.48 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 3grs h MET 202 CO 0.02 0.43 0.50 0.00 1.06 0.00 0.00 176.91 178.92 3grs h ALA 203 N 1.09 1.08 -0.43 6.32 0.00 -1.04 -1.76 119.26 124.53 3grs h ALA 203 Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3grs h ALA 203 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3grs h ALA 203 CO -0.02 0.27 -0.08 0.78 0.00 0.00 0.00 179.25 180.20 3grs h GLY 204 N 0.95 0.80 0.51 0.00 0.00 -0.98 -1.37 103.07 102.98 3grs h GLY 204 Ca 0.34 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3grs h GLY 204 CO -0.14 0.53 -0.03 -2.22 0.00 0.00 0.00 176.54 174.68 3grs h ILE 205 N 0.68 1.42 -0.29 2.60 2.04 -1.18 -2.39 117.51 120.39 3grs h ILE 205 Ca 0.12 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3grs h ILE 205 Cb 0.53 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3grs h ILE 205 CO 0.03 0.34 0.19 -0.07 0.00 0.00 0.00 178.15 178.64 3grs h LEU 206 N -0.46 0.34 -0.22 1.44 3.38 -1.27 -2.16 115.31 116.36 3grs h LEU 206 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3grs h LEU 206 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3grs h LEU 206 CO 0.01 0.26 0.12 -1.28 0.09 0.00 0.00 178.44 177.63 3grs h SER 207 N 0.39 0.28 -0.14 -0.43 0.87 -1.35 -0.27 113.55 112.91 3grs h SER 207 Ca 0.11 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 3grs h SER 207 Cb -0.04 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3grs h SER 207 CO -0.02 0.29 -0.01 0.00 -0.53 0.00 0.00 176.83 176.56 3grs h ALA 208 N 1.00 1.51 -0.00 6.23 0.00 -1.28 -1.96 119.26 124.75 3grs h ALA 208 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3grs h ALA 208 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3grs h ALA 208 CO -0.01 0.35 -0.07 1.28 0.00 0.00 0.00 179.25 180.80 3grs n LEU 209 N -4.32 0.44 0.00 0.00 4.77 -0.82 -4.80 117.00 112.27 3grs n LEU 209 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3grs n LEU 209 Cb 0.22 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3grs n LEU 209 CO 0.38 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3grs n GLY 210 N 1.23 0.88 3.78 -0.72 0.00 -0.74 -4.83 105.19 104.80 3grs n GLY 210 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3grs n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3grs s SER 211 N -1.65 6.91 -0.59 1.61 0.15 -0.16 -4.96 113.70 115.02 3grs s SER 211 Ca 0.00 2.00 -0.27 0.00 0.70 0.00 0.00 55.95 58.39 3grs s SER 211 Cb 0.00 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.76 3grs s SER 211 CO 0.00 -0.38 1.11 -0.75 1.20 0.00 0.00 173.24 174.42 3grs s LYS 212 N -2.37 3.41 -0.07 5.44 2.20 -0.20 -4.26 119.74 123.90 3grs s LYS 212 Ca 0.56 0.00 0.01 0.00 -0.36 0.00 0.00 55.97 56.18 3grs s LYS 212 Cb -0.22 -4.05 -0.03 0.00 -1.51 0.00 0.00 37.83 32.03 3grs s LYS 212 CO 0.27 -1.67 -0.07 0.99 -0.36 0.00 0.00 175.35 174.51 3grs s THR 213 N 4.68 3.65 -0.01 3.43 2.01 -1.26 -1.46 115.64 126.69 3grs s THR 213 Ca 0.37 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.96 3grs s THR 213 Cb -0.09 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 3grs s THR 213 CO 0.22 0.59 -0.25 -0.44 -0.69 0.00 0.00 174.62 174.05 3grs s SER 214 N -0.72 2.90 -0.19 3.53 0.01 -0.33 -1.72 113.70 117.18 3grs s SER 214 Ca 0.11 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.90 3grs s SER 214 Cb -0.11 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.82 3grs s SER 214 CO 0.02 0.29 -0.15 -0.22 0.41 0.00 0.00 173.24 173.58 3grs s LEU 215 N -0.70 2.36 -0.33 2.44 2.96 0.17 -0.63 118.68 124.95 3grs s LEU 215 Ca 0.10 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 3grs s LEU 215 Cb -0.09 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3grs s LEU 215 CO -0.00 -0.01 0.18 -0.32 -1.32 0.00 0.00 176.35 174.88 3grs s MET 216 N 1.34 3.18 0.13 1.98 -2.45 0.48 -0.33 119.30 123.64 3grs s MET 216 Ca 0.05 -0.83 0.10 0.00 -1.25 0.00 0.00 55.69 53.76 3grs s MET 216 Cb -0.13 -3.64 -0.04 0.00 1.25 0.00 0.00 34.83 32.26 3grs s MET 216 CO -0.10 -0.51 -0.24 0.96 1.05 0.00 0.00 175.02 176.17 3grs s ILE 217 N 1.60 2.43 -0.36 10.11 -4.36 -0.79 -1.56 121.20 128.28 3grs s ILE 217 Ca 0.04 -1.70 0.26 0.00 -0.26 0.00 0.00 60.65 58.99 3grs s ILE 217 Cb -0.18 -2.09 0.34 0.00 1.25 0.00 0.00 42.46 41.78 3grs s ILE 217 CO 0.07 0.08 1.71 0.03 0.24 0.00 0.00 174.94 177.07 3grs h ARG 218 N 3.81 0.00 0.00 0.37 3.08 -1.86 -1.54 114.38 118.23 3grs h ARG 218 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3grs h ARG 218 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3grs h ARG 218 CO 0.41 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 180.03 3grs n HIS 219 N -2.99 0.00 0.57 3.04 8.25 -1.26 -3.73 115.22 119.11 3grs n HIS 219 Ca 0.03 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 3grs n HIS 219 Cb 0.46 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 3grs n HIS 219 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3grs n ASP 220 N 0.00 0.76 -4.09 0.41 3.85 -1.26 -0.82 116.55 115.39 3grs n ASP 220 Ca 0.00 -0.88 -0.11 0.00 -0.71 0.00 0.00 54.79 53.09 3grs n ASP 220 Cb 0.00 0.88 -0.11 0.00 -1.35 0.00 0.00 41.12 40.55 3grs n ASP 220 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3grs s LYS 221 N -2.03 0.60 0.52 0.11 1.02 -1.26 -4.98 119.74 113.72 3grs s LYS 221 Ca 0.06 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 3grs s LYS 221 Cb 0.09 -0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.29 3grs s LYS 221 CO 0.46 -0.01 0.76 0.14 -0.92 0.00 0.00 175.35 175.78 3grs s VAL 222 N -2.46 3.45 -1.40 3.17 -7.23 -1.26 -4.53 120.40 110.13 3grs s VAL 222 Ca -0.02 -0.45 -0.03 0.00 -1.81 0.00 0.00 61.98 59.67 3grs s VAL 222 Cb -0.03 -3.31 0.02 0.00 0.56 0.00 0.00 36.38 33.63 3grs s VAL 222 CO -0.03 -0.24 0.64 0.18 -0.31 0.00 0.00 175.10 175.34 3grs n LEU 223 N -2.29 -2.60 0.33 1.32 4.77 0.84 -4.52 117.00 114.85 3grs n LEU 223 Ca 0.04 -0.90 0.22 0.00 -0.03 0.00 0.00 56.01 55.35 3grs n LEU 223 Cb 0.58 -2.44 1.14 0.00 -2.33 0.00 0.00 43.42 40.37 3grs n LEU 223 CO 0.48 0.42 1.16 0.03 -1.33 0.00 0.00 177.39 178.15 3grs h ARG 224 N -1.86 0.00 -0.00 3.23 3.08 -1.79 -1.72 114.38 115.30 3grs h ARG 224 Ca -0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.44 3grs h ARG 224 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3grs h ARG 224 CO 0.62 0.00 -0.18 -1.13 -1.07 0.00 0.00 179.97 178.21 3grs n SER 225 N -3.08 0.63 -4.74 7.04 3.41 -1.26 -4.87 113.62 110.75 3grs n SER 225 Ca -0.02 -0.60 -0.26 0.00 -0.26 0.00 0.00 58.87 57.72 3grs n SER 225 Cb 0.11 -0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.15 3grs n SER 225 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3grs s PHE 226 N -2.54 2.47 0.38 7.33 0.40 -0.65 -5.00 117.98 120.37 3grs s PHE 226 Ca 0.25 0.33 -0.27 0.00 -0.60 0.00 0.00 56.93 56.64 3grs s PHE 226 Cb 0.20 -3.36 -0.11 0.00 0.51 0.00 0.00 43.02 40.26 3grs s PHE 226 CO 0.51 -1.71 1.38 -3.47 0.70 0.00 0.00 175.22 172.63 3grs n ASP 227 N -3.09 3.20 0.30 1.36 2.03 -1.26 -4.69 116.55 114.41 3grs n ASP 227 Ca 0.10 1.19 0.17 0.00 0.52 0.00 0.00 54.79 56.77 3grs n ASP 227 Cb 0.60 -1.56 0.96 0.00 -0.72 0.00 0.00 41.12 40.41 3grs n ASP 227 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3grs h SER 228 N 2.59 0.00 -0.65 1.67 4.64 -1.93 -0.56 113.55 119.31 3grs h SER 228 Ca -0.49 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.78 3grs h SER 228 Cb 1.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 3grs h SER 228 CO 0.62 0.03 0.22 -0.03 -0.87 0.00 0.00 176.83 176.80 3grs h MET 229 N 0.00 1.03 -0.09 4.77 -1.53 -2.00 -1.99 114.93 115.12 3grs h MET 229 Ca -0.00 -0.20 -0.09 0.00 -3.44 0.00 0.00 59.70 55.96 3grs h MET 229 Cb 0.10 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.00 3grs h MET 229 CO 0.00 0.87 -0.30 0.82 0.14 0.00 0.00 176.91 178.45 3grs h ILE 230 N 0.99 1.40 -0.63 1.77 1.08 -1.47 -1.66 117.51 118.99 3grs h ILE 230 Ca 0.22 -1.65 -0.02 0.00 -0.39 0.00 0.00 64.86 63.02 3grs h ILE 230 Cb 0.27 2.22 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 3grs h ILE 230 CO -0.01 0.48 0.31 0.77 -0.69 0.00 0.00 178.15 179.01 3grs h SER 231 N -0.09 0.80 0.15 1.72 4.64 -1.30 0.17 113.55 119.63 3grs h SER 231 Ca -0.01 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3grs h SER 231 Cb 0.93 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3grs h SER 231 CO 0.06 0.68 -0.07 0.74 -0.87 0.00 0.00 176.83 177.37 3grs h THR 232 N 0.89 0.98 -0.70 2.95 2.02 -1.40 -2.61 112.91 115.04 3grs h THR 232 Ca 0.22 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3grs h THR 232 Cb 0.08 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3grs h THR 232 CO -0.03 0.14 0.40 -1.13 0.37 0.00 0.00 175.52 175.27 3grs h ASN 233 N -0.49 0.87 -0.65 4.18 -1.24 -1.17 -2.11 115.58 114.96 3grs h ASN 233 Ca -0.02 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.84 3grs h ASN 233 Cb 0.39 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 3grs h ASN 233 CO 0.03 0.70 0.18 0.00 -1.29 0.00 0.00 177.43 177.05 3grs h THR 235 N 1.00 1.26 -0.47 0.00 2.02 -1.22 -1.74 112.91 113.77 3grs h THR 235 Ca 0.21 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 3grs h THR 235 Cb 0.33 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3grs h THR 235 CO -0.00 0.39 0.15 -0.33 0.37 0.00 0.00 175.52 176.10 3grs h GLU 236 N 0.88 0.73 -0.62 6.66 5.08 -1.02 -2.61 114.58 123.68 3grs h GLU 236 Ca 0.17 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3grs h GLU 236 Cb 0.51 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3grs h GLU 236 CO 0.02 0.69 0.26 0.93 -1.00 0.00 0.00 179.01 179.91 3grs h GLU 237 N 0.62 0.90 -0.35 2.33 4.39 -0.86 0.06 114.58 121.67 3grs h GLU 237 Ca 0.15 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3grs h GLU 237 Cb 0.27 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3grs h GLU 237 CO -0.01 0.73 0.21 -0.07 -1.16 0.00 0.00 179.01 178.72 3grs h LEU 238 N 0.89 0.42 -0.48 1.33 3.38 -1.19 -0.79 115.31 118.87 3grs h LEU 238 Ca 0.21 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3grs h LEU 238 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3grs h LEU 238 CO -0.02 0.35 0.21 -0.33 0.09 0.00 0.00 178.44 178.74 3grs h GLU 239 N 0.46 0.71 0.00 1.13 5.08 -0.96 -1.41 114.58 119.59 3grs h GLU 239 Ca 0.13 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3grs h GLU 239 Cb 0.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3grs h GLU 239 CO -0.02 0.62 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.64 3grs h ASN 240 N 0.64 0.00 -0.16 1.42 2.35 -0.84 -1.45 115.58 117.53 3grs h ASN 240 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3grs h ASN 240 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3grs h ASN 240 CO -0.02 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 3grs n ALA 241 N -2.50 2.52 -0.29 -0.83 0.00 -0.32 -4.91 120.51 114.17 3grs n ALA 241 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3grs n ALA 241 Cb 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3grs n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3grs n GLY 242 N 0.97 0.78 3.70 0.00 0.00 -0.55 -4.87 105.19 105.22 3grs n GLY 242 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3grs n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3grs s VAL 243 N -2.21 4.93 -0.42 1.61 1.01 -0.60 -4.69 120.40 120.03 3grs s VAL 243 Ca 0.00 1.72 -0.26 0.00 0.00 0.00 0.00 61.98 63.44 3grs s VAL 243 Cb 0.00 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3grs s VAL 243 CO 0.00 0.15 0.94 -0.70 0.00 0.00 0.00 175.10 175.49 3grs s GLU 244 N 1.31 3.70 -0.34 2.72 2.12 -0.70 -4.12 118.70 123.40 3grs s GLU 244 Ca 0.43 0.40 -0.17 0.00 0.36 0.00 0.00 54.97 55.98 3grs s GLU 244 Cb -0.18 -3.86 -0.01 0.00 0.26 0.00 0.00 34.13 30.33 3grs s GLU 244 CO 0.19 -1.11 0.48 0.08 -0.54 0.00 0.00 175.26 174.37 3grs s VAL 245 N 3.68 5.06 -0.62 3.70 1.01 -1.26 -0.65 120.40 131.32 3grs s VAL 245 Ca 0.39 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 3grs s VAL 245 Cb -0.11 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.43 3grs s VAL 245 CO 0.23 -0.14 0.88 -0.76 0.00 0.00 0.00 175.10 175.30 3grs s LEU 246 N 2.30 4.61 0.49 3.92 1.43 0.55 -4.95 118.68 127.03 3grs s LEU 246 Ca 0.18 -0.99 -0.16 0.00 -1.03 0.00 0.00 54.13 52.12 3grs s LEU 246 Cb -0.16 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 3grs s LEU 246 CO 0.12 -1.30 0.95 -0.54 0.23 0.00 0.00 176.35 175.81 3grs s LYS 247 N 3.64 3.96 -1.65 1.70 1.02 -1.26 -1.89 119.74 125.26 3grs s LYS 247 Ca 0.20 0.91 -0.16 0.00 0.02 0.00 0.00 55.97 56.94 3grs s LYS 247 Cb -0.18 -2.18 0.13 0.00 -0.52 0.00 0.00 37.83 35.08 3grs s LYS 247 CO 0.11 -0.20 0.76 1.19 -0.92 0.00 0.00 175.35 176.28 3grs n PHE 248 N -1.41 -1.79 -4.32 3.18 3.01 -0.00 -4.69 117.46 111.44 3grs n PHE 248 Ca 0.06 0.80 -0.24 0.00 1.01 0.00 0.00 57.45 59.09 3grs n PHE 248 Cb 0.54 -3.16 -0.12 0.00 -0.01 0.00 0.00 39.48 36.73 3grs n PHE 248 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3grs s SER 249 N -3.45 2.68 0.08 4.37 0.01 -0.63 -0.75 113.70 116.01 3grs s SER 249 Ca 0.63 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 57.00 3grs s SER 249 Cb -0.34 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.75 3grs s SER 249 CO 0.91 0.03 0.29 0.00 0.41 0.00 0.00 173.24 174.89 3grs s GLN 250 N -2.29 0.89 0.10 12.44 -2.07 -0.56 -3.96 119.66 124.21 3grs s GLN 250 Ca 0.11 -0.70 -0.26 0.00 -1.82 0.00 0.00 55.36 52.70 3grs s GLN 250 Cb -0.08 0.38 -0.06 0.00 -1.09 0.00 0.00 33.01 32.15 3grs s GLN 250 CO 0.05 -0.30 0.79 0.08 -1.32 0.00 0.00 175.29 174.59 3grs s VAL 251 N -3.28 4.57 -0.14 3.63 1.01 -1.26 -1.47 120.40 123.47 3grs s VAL 251 Ca 0.00 1.70 0.08 0.00 0.00 0.00 0.00 61.98 63.76 3grs s VAL 251 Cb 0.02 -4.14 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 3grs s VAL 251 CO -0.08 0.42 -0.02 1.17 0.00 0.00 0.00 175.10 176.58 3grs n LYS 252 N 2.36 1.39 -3.53 2.72 4.81 0.26 -4.92 118.16 121.25 3grs n LYS 252 Ca -0.03 0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 3grs n LYS 252 Cb 0.50 -1.32 -0.05 0.00 0.02 0.00 0.00 35.03 34.18 3grs n LYS 252 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3grs s GLU 253 N -2.31 0.88 -0.03 1.64 2.12 -1.15 -4.21 118.70 115.64 3grs s GLU 253 Ca -0.12 0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.30 3grs s GLU 253 Cb 0.04 0.41 -0.01 0.00 0.26 0.00 0.00 34.13 34.84 3grs s GLU 253 CO 0.46 -0.31 -0.16 0.08 -0.54 0.00 0.00 175.26 174.79 3grs s VAL 254 N -1.77 1.33 -0.01 3.70 1.01 0.43 -1.00 120.40 124.08 3grs s VAL 254 Ca -0.04 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 3grs s VAL 254 Cb -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3grs s VAL 254 CO 0.01 0.38 0.12 -1.59 0.00 0.00 0.00 175.10 174.02 3grs s LYS 255 N -0.17 0.41 -0.45 2.72 -2.85 -0.67 -3.98 119.74 114.74 3grs s LYS 255 Ca 0.02 -0.31 -0.25 0.00 -1.00 0.00 0.00 55.97 54.42 3grs s LYS 255 Cb -0.09 0.17 0.03 0.00 -2.06 0.00 0.00 37.83 35.88 3grs s LYS 255 CO 0.01 -0.09 0.90 0.21 0.10 0.00 0.00 175.35 176.48 3grs s LYS 256 N -1.12 3.54 0.06 1.78 2.47 -1.26 0.01 119.74 125.21 3grs s LYS 256 Ca -0.12 0.15 0.01 0.00 -1.56 0.00 0.00 55.97 54.45 3grs s LYS 256 Cb -0.07 -3.92 0.01 0.00 -1.46 0.00 0.00 37.83 32.40 3grs s LYS 256 CO 0.01 -1.19 0.09 0.25 0.16 0.00 0.00 175.35 174.67 3grs n THR 257 N 6.34 0.00 0.13 3.43 -2.24 0.67 -4.96 114.28 117.66 3grs n THR 257 Ca 0.06 -0.18 0.04 0.00 -2.27 0.00 0.00 64.05 61.69 3grs n THR 257 Cb 0.48 -1.07 0.45 0.00 -2.10 0.00 0.00 70.33 68.09 3grs n THR 257 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3grs h LEU 258 N 0.00 0.21 -6.02 3.22 3.38 -1.99 -3.31 115.31 110.80 3grs h LEU 258 Ca -0.03 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 3grs h LEU 258 Cb 0.12 -0.05 -0.35 0.00 0.09 0.00 0.00 40.66 40.47 3grs h LEU 258 CO 0.04 0.29 -0.97 -1.20 0.09 0.00 0.00 178.44 176.69 3grs n SER 259 N -4.36 -0.57 0.00 -0.43 7.64 -1.26 -5.10 113.62 109.54 3grs n SER 259 Ca -0.01 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.27 3grs n SER 259 Cb 0.20 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3grs n SER 259 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3grs n GLY 260 N 2.15 0.28 3.65 0.23 0.00 -1.25 -4.28 105.19 105.97 3grs n GLY 260 Ca 0.24 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 3grs n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3grs s LEU 261 N 0.00 3.23 -0.15 0.99 1.43 0.82 -0.24 118.68 124.76 3grs s LEU 261 Ca 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3grs s LEU 261 Cb 0.00 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.45 3grs s LEU 261 CO 0.00 0.03 -0.12 -0.70 0.23 0.00 0.00 176.35 175.78 3grs s GLU 262 N -3.45 2.10 -0.22 1.70 2.12 0.10 -0.55 118.70 120.50 3grs s GLU 262 Ca 0.30 -0.52 -0.07 0.00 0.36 0.00 0.00 54.97 55.03 3grs s GLU 262 Cb -0.07 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.25 3grs s GLU 262 CO 0.19 -0.27 0.07 0.08 -0.54 0.00 0.00 175.26 174.80 3grs s VAL 263 N 1.53 4.56 -0.22 3.70 1.01 0.37 -1.67 120.40 129.67 3grs s VAL 263 Ca 0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 3grs s VAL 263 Cb -0.13 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3grs s VAL 263 CO -0.10 0.39 0.35 -0.44 0.00 0.00 0.00 175.10 175.31 3grs s SER 264 N 1.03 6.34 0.12 3.32 0.01 -0.17 0.18 113.70 124.53 3grs s SER 264 Ca 0.04 0.40 0.05 0.00 1.31 0.00 0.00 55.95 57.75 3grs s SER 264 Cb -0.14 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 3grs s SER 264 CO 0.03 -0.08 -0.12 0.00 0.41 0.00 0.00 173.24 173.48 3grs s MET 265 N 1.45 0.98 -0.19 12.44 0.23 0.91 -0.58 119.30 134.54 3grs s MET 265 Ca 0.16 -1.24 -0.04 0.00 -1.03 0.00 0.00 55.69 53.54 3grs s MET 265 Cb -0.15 -0.76 -0.02 0.00 -1.53 0.00 0.00 34.83 32.37 3grs s MET 265 CO 0.08 0.13 -0.03 0.08 -2.03 0.00 0.00 175.02 173.25 3grs s VAL 266 N -2.38 3.72 -0.20 5.16 1.01 -0.54 -0.40 120.40 126.77 3grs s VAL 266 Ca 0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3grs s VAL 266 Cb -0.03 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3grs s VAL 266 CO 0.02 0.45 -0.01 -0.89 0.00 0.00 0.00 175.10 174.67 3grs s THR 267 N 0.90 3.87 -0.51 3.92 2.01 -0.09 -1.50 115.64 124.24 3grs s THR 267 Ca -0.00 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.71 3grs s THR 267 Cb -0.14 -2.74 0.19 0.00 0.01 0.00 0.00 72.50 69.81 3grs s THR 267 CO 0.01 0.44 0.45 0.00 -0.69 0.00 0.00 174.62 174.83 3grs n ALA 268 N 4.21 3.06 -1.86 7.40 0.00 0.07 -1.40 120.51 131.99 3grs n ALA 268 Ca -0.17 -3.70 -0.41 0.00 0.00 0.00 0.00 53.44 49.15 3grs n ALA 268 Cb 0.52 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 3grs n ALA 268 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3grs s VAL 269 N -0.81 2.72 0.15 0.00 1.01 -1.26 -4.87 120.40 117.34 3grs s VAL 269 Ca 0.32 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 3grs s VAL 269 Cb 0.05 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 3grs s VAL 269 CO -0.16 0.11 1.16 -2.84 0.00 0.00 0.00 175.10 173.37 3grs s PRO 270 N -0.72 4.52 0.00 2.72 0.02 -1.26 -2.39 135.00 137.89 3grs s PRO 270 Ca 0.56 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3grs s PRO 270 Cb -0.41 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 30.83 3grs s PRO 270 CO 0.45 -0.06 0.00 0.41 -0.33 0.00 0.00 177.00 177.47 3grs n GLY 271 N 2.40 0.94 3.40 0.52 0.00 -1.26 -5.05 105.19 106.14 3grs n GLY 271 Ca 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 3grs n GLY 271 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3grs s ARG 272 N -1.05 1.23 0.31 1.61 3.52 -1.01 -5.13 118.95 118.43 3grs s ARG 272 Ca 0.00 -1.07 -0.19 0.00 -0.13 0.00 0.00 55.73 54.34 3grs s ARG 272 Cb 0.00 0.43 -0.09 0.00 -1.56 0.00 0.00 34.95 33.72 3grs s ARG 272 CO 0.00 -0.48 0.80 -0.51 -0.81 0.00 0.00 175.30 174.30 3grs s LEU 273 N -2.94 4.18 0.60 -0.88 1.43 -1.26 -4.72 118.68 115.09 3grs s LEU 273 Ca 0.14 1.47 -0.19 0.00 -1.03 0.00 0.00 54.13 54.52 3grs s LEU 273 Cb 0.02 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 3grs s LEU 273 CO -0.01 -0.13 1.27 -2.84 0.23 0.00 0.00 176.35 174.87 3grs s PRO 274 N -2.54 2.87 -0.01 1.29 0.01 -1.26 -4.75 135.00 130.61 3grs s PRO 274 Ca 0.51 1.99 0.00 0.00 0.01 0.00 0.00 61.00 63.51 3grs s PRO 274 Cb -0.13 -1.97 0.02 0.00 0.01 0.00 0.00 34.50 32.42 3grs s PRO 274 CO 0.19 -1.33 0.01 0.54 0.01 0.00 0.00 177.00 176.42 3grs s VAL 275 N -1.46 0.04 -0.15 3.83 0.11 -0.49 -4.98 120.40 117.30 3grs s VAL 275 Ca 0.78 0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.84 3grs s VAL 275 Cb -0.35 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 3grs s VAL 275 CO 0.38 0.07 0.14 -0.04 -3.33 0.00 0.00 175.10 172.33 3grs s MET 276 N 0.64 3.77 0.03 1.54 -1.94 -1.26 -0.91 119.30 121.17 3grs s MET 276 Ca -0.06 -0.16 0.03 0.00 -1.71 0.00 0.00 55.69 53.80 3grs s MET 276 Cb -0.08 -3.29 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 3grs s MET 276 CO -0.02 0.57 -0.10 0.99 -0.01 0.00 0.00 175.02 176.45 3grs s THR 277 N -0.42 0.80 -0.11 2.05 2.01 0.46 -4.97 115.64 115.47 3grs s THR 277 Ca 0.12 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 3grs s THR 277 Cb -0.12 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 3grs s THR 277 CO 0.01 -0.10 0.03 -0.04 -0.69 0.00 0.00 174.62 173.83 3grs s MET 278 N -1.11 3.20 -0.25 4.92 -1.94 -1.26 -0.06 119.30 122.80 3grs s MET 278 Ca -0.02 -0.35 -0.02 0.00 -1.71 0.00 0.00 55.69 53.58 3grs s MET 278 Cb -0.08 -2.91 0.02 0.00 2.01 0.00 0.00 34.83 33.87 3grs s MET 278 CO 0.01 0.65 -0.05 0.42 -0.01 0.00 0.00 175.02 176.04 3grs s ILE 279 N -0.72 3.03 0.26 2.53 1.01 0.48 -4.92 121.20 122.86 3grs s ILE 279 Ca 0.12 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3grs s ILE 279 Cb -0.12 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 3grs s ILE 279 CO 0.02 0.23 0.38 -2.16 0.00 0.00 0.00 174.94 173.42 3grs s PRO 280 N 1.36 3.39 -1.39 2.79 0.04 -1.26 0.14 135.00 140.07 3grs s PRO 280 Ca 0.01 -0.79 -0.09 0.00 0.04 0.00 0.00 61.00 60.18 3grs s PRO 280 Cb -0.16 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.52 3grs s PRO 280 CO -0.04 0.36 1.11 -0.25 0.04 0.00 0.00 177.00 178.23 3grs n ASP 281 N -1.46 -6.28 -4.69 6.66 10.43 -0.88 -4.96 116.55 115.36 3grs n ASP 281 Ca -0.07 -0.53 -0.40 0.00 2.57 0.00 0.00 54.79 56.36 3grs n ASP 281 Cb 0.57 -4.96 -0.05 0.00 1.84 0.00 0.00 41.12 38.52 3grs n ASP 281 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3grs s VAL 282 N -3.30 5.02 -0.08 2.53 1.01 0.28 -4.67 120.40 121.19 3grs s VAL 282 Ca 0.56 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.80 3grs s VAL 282 Cb -0.25 -4.02 -0.29 0.00 0.00 0.00 0.00 36.38 31.82 3grs s VAL 282 CO 0.70 0.18 0.58 0.44 0.00 0.00 0.00 175.10 177.00 3grs h ASP 283 N 7.04 0.50 -3.21 3.32 3.45 -1.40 0.23 116.42 126.36 3grs h ASP 283 Ca -0.36 -0.91 -0.49 0.00 0.43 0.00 0.00 57.03 55.70 3grs h ASP 283 Cb 1.17 -0.16 -0.37 0.00 -0.56 0.00 0.00 39.33 39.40 3grs h ASP 283 CO 0.77 1.74 -0.79 0.00 -1.57 0.00 0.00 179.24 179.40 3grs s LEU 285 N 1.81 3.23 -0.25 0.00 2.96 -1.26 -0.94 118.68 124.24 3grs s LEU 285 Ca 0.05 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3grs s LEU 285 Cb -0.12 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.81 3grs s LEU 285 CO -0.07 -0.08 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.58 3grs s LEU 286 N 1.48 3.15 -0.25 -0.68 0.20 -0.19 -0.02 118.68 122.37 3grs s LEU 286 Ca 0.04 -0.95 -0.27 0.00 0.69 0.00 0.00 54.13 53.64 3grs s LEU 286 Cb -0.15 -1.63 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 3grs s LEU 286 CO -0.01 -0.13 0.95 0.26 -0.29 0.00 0.00 176.35 177.12 3grs s TRP 287 N 1.28 3.31 -0.42 5.38 0.52 0.15 -0.97 118.94 128.18 3grs s TRP 287 Ca -0.01 1.28 0.11 0.00 0.02 0.00 0.00 56.10 57.50 3grs s TRP 287 Cb -0.17 -3.22 0.38 0.00 -1.15 0.00 0.00 33.47 29.31 3grs s TRP 287 CO -0.05 -0.48 0.87 0.00 0.02 0.00 0.00 176.95 177.31 3grs n ALA 288 N 6.24 3.31 0.36 0.98 0.00 0.88 -4.30 120.51 127.98 3grs n ALA 288 Ca 0.09 -3.77 0.11 0.00 0.00 0.00 0.00 53.44 49.87 3grs n ALA 288 Cb 0.47 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 3grs n ALA 288 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3grs n ILE 289 N -0.01 0.16 -1.30 0.00 -5.35 -1.23 -4.26 119.36 107.38 3grs n ILE 289 Ca 0.25 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3grs n ILE 289 Cb 0.63 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 3grs n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3grs n GLY 290 N 1.32 -2.25 3.11 3.28 0.00 -1.26 -5.01 105.19 104.38 3grs n GLY 290 Ca -0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 3grs n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3grs s ARG 291 N -1.91 0.81 0.08 1.61 1.81 -1.26 -1.03 118.95 119.07 3grs s ARG 291 Ca 0.00 -0.72 0.08 0.00 -1.72 0.00 0.00 55.73 53.37 3grs s ARG 291 Cb 0.00 -0.77 -0.04 0.00 -0.45 0.00 0.00 34.95 33.69 3grs s ARG 291 CO 0.00 0.19 -0.18 0.54 -0.68 0.00 0.00 175.30 175.17 3grs s VAL 292 N -0.90 2.85 0.45 3.52 0.11 0.19 -4.81 120.40 121.82 3grs s VAL 292 Ca -0.01 -1.36 -0.21 0.00 -2.93 0.00 0.00 61.98 57.48 3grs s VAL 292 Cb -0.08 -2.26 -0.09 0.00 -1.53 0.00 0.00 36.38 32.41 3grs s VAL 292 CO 0.01 0.20 1.01 -2.16 -3.33 0.00 0.00 175.10 170.83 3grs s PRO 293 N -1.85 4.01 -1.06 1.54 0.04 -1.26 -0.50 135.00 135.92 3grs s PRO 293 Ca 0.17 1.29 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 3grs s PRO 293 Cb -0.11 -2.19 0.20 0.00 0.04 0.00 0.00 34.50 32.45 3grs s PRO 293 CO 0.08 -0.24 1.17 1.21 0.04 0.00 0.00 177.00 179.26 3grs s ASN 294 N -2.00 6.99 0.00 6.66 3.84 -0.31 -4.56 114.94 125.57 3grs s ASN 294 Ca 0.64 -2.90 0.00 0.00 0.21 0.00 0.00 52.86 50.81 3grs s ASN 294 Cb -0.14 -2.32 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 3grs s ASN 294 CO 0.18 -0.66 0.00 0.35 -2.79 0.00 0.00 177.10 174.18 3grs n THR 295 N 4.18 0.00 -0.31 -5.21 -2.24 -1.26 -4.75 114.28 104.68 3grs n THR 295 Ca 0.27 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 3grs n THR 295 Cb 0.44 0.72 0.24 0.00 -2.10 0.00 0.00 70.33 69.63 3grs n THR 295 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3grs h LYS 296 N 0.00 0.68 -0.53 -0.78 3.11 -1.90 -2.73 116.57 114.42 3grs h LYS 296 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 3grs h LYS 296 Cb 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.08 3grs h LYS 296 CO 0.00 0.45 0.00 -0.25 -2.81 0.00 0.00 179.45 176.84 3grs n ASP 297 N -4.81 5.24 0.05 4.20 8.00 -1.26 -4.46 116.55 123.51 3grs n ASP 297 Ca 0.18 -2.86 0.12 0.00 0.71 0.00 0.00 54.79 52.94 3grs n ASP 297 Cb 0.44 -0.64 0.23 0.00 -0.02 0.00 0.00 41.12 41.13 3grs n ASP 297 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3grs n LEU 298 N 0.51 0.62 -3.17 0.64 4.77 -1.03 -4.70 117.00 114.64 3grs n LEU 298 Ca 0.26 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 56.24 3grs n LEU 298 Cb 1.09 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 42.01 3grs n LEU 298 CO 0.28 -0.02 0.15 -1.20 -1.33 0.00 0.00 177.39 175.27 3grs n SER 299 N -1.95 -6.00 -0.20 -1.43 7.64 -1.26 -0.51 113.62 109.91 3grs n SER 299 Ca 0.04 -0.41 0.09 0.00 1.01 0.00 0.00 58.87 59.60 3grs n SER 299 Cb 0.41 -4.70 0.38 0.00 -1.01 0.00 0.00 64.21 59.30 3grs n SER 299 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3grs h LEU 300 N -2.07 0.62 -1.21 -3.43 3.38 -1.91 -0.31 115.31 110.37 3grs h LEU 300 Ca -0.52 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3grs h LEU 300 Cb 1.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3grs h LEU 300 CO 0.52 0.37 0.00 -0.55 0.09 0.00 0.00 178.44 178.87 3grs h ASN 301 N 0.69 0.00 1.07 -0.43 -1.07 -1.89 -0.94 115.58 113.00 3grs h ASN 301 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.73 3grs h ASN 301 Cb 0.48 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.73 3grs h ASN 301 CO -0.14 0.00 0.00 0.11 0.07 0.00 0.00 177.43 177.47 3grs h LYS 302 N 0.00 0.00 -0.00 4.14 1.57 -1.39 -2.84 116.57 118.05 3grs h LYS 302 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3grs h LYS 302 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3grs h LYS 302 CO 0.00 0.00 -0.24 1.28 -0.57 0.00 0.00 179.45 179.92 3grs n LEU 303 N -2.67 0.92 -1.63 2.94 4.77 -0.45 -4.82 117.00 116.05 3grs n LEU 303 Ca 0.02 -0.69 -0.13 0.00 -0.03 0.00 0.00 56.01 55.18 3grs n LEU 303 Cb 0.31 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 3grs n LEU 303 CO 0.25 0.19 -0.08 0.61 -1.33 0.00 0.00 177.39 177.03 3grs n GLY 304 N 0.94 -0.09 3.72 -0.72 0.00 -0.63 -4.97 105.19 103.44 3grs n GLY 304 Ca 0.03 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3grs n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grs s ILE 305 N -2.75 3.64 0.22 -0.61 1.01 -1.00 -4.92 121.20 116.78 3grs s ILE 305 Ca 0.08 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.67 3grs s ILE 305 Cb -0.04 -3.79 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 3grs s ILE 305 CO 0.10 0.13 1.10 -1.10 0.00 0.00 0.00 174.94 175.17 3grs s GLN 306 N 0.66 4.62 0.27 2.79 -0.21 -1.26 -4.74 119.66 121.80 3grs s GLN 306 Ca 0.59 1.74 0.04 0.00 0.02 0.00 0.00 55.36 57.75 3grs s GLN 306 Cb -0.33 -3.24 -0.06 0.00 1.00 0.00 0.00 33.01 30.38 3grs s GLN 306 CO 0.32 0.14 0.01 0.95 -2.12 0.00 0.00 175.29 174.60 3grs s THR 307 N -0.61 1.17 0.15 -0.19 -4.23 -1.26 -1.61 115.64 109.06 3grs s THR 307 Ca 0.47 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3grs s THR 307 Cb -0.30 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.02 3grs s THR 307 CO 0.37 -0.18 0.20 -0.90 -0.54 0.00 0.00 174.62 173.57 3grs n ASP 308 N -0.55 0.29 0.02 3.99 5.68 -0.34 -4.87 116.55 120.78 3grs n ASP 308 Ca -0.04 -1.24 0.12 0.00 -0.50 0.00 0.00 54.79 53.13 3grs n ASP 308 Cb 0.65 -0.13 0.49 0.00 -1.14 0.00 0.00 41.12 40.99 3grs n ASP 308 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3grs n ASP 309 N -2.97 0.12 -0.18 -1.12 5.68 -1.26 -2.06 116.55 114.75 3grs n ASP 309 Ca 0.03 0.52 0.13 0.00 -0.50 0.00 0.00 54.79 54.97 3grs n ASP 309 Cb 0.12 -0.55 0.38 0.00 -1.14 0.00 0.00 41.12 39.93 3grs n ASP 309 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3grs n LYS 310 N -1.61 0.64 0.00 0.11 4.76 -1.26 -4.92 118.16 115.88 3grs n LYS 310 Ca 0.05 -0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 3grs n LYS 310 Cb 0.29 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3grs n LYS 310 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3grs n GLY 311 N 1.37 0.72 3.78 0.72 0.00 -0.88 -4.53 105.19 106.37 3grs n GLY 311 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3grs n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3grs s HIS 312 N -2.00 3.15 0.08 1.61 3.76 -1.26 -4.68 115.29 115.96 3grs s HIS 312 Ca 0.00 1.60 -0.28 0.00 -0.15 0.00 0.00 55.06 56.24 3grs s HIS 312 Cb 0.00 -3.25 -0.06 0.00 1.11 0.00 0.00 32.58 30.38 3grs s HIS 312 CO 0.00 -0.97 0.87 0.42 -0.85 0.00 0.00 174.74 174.21 3grs s ILE 313 N -1.55 4.60 0.03 0.60 1.01 -0.87 -1.19 121.20 123.83 3grs s ILE 313 Ca 0.58 1.87 -0.20 0.00 0.00 0.00 0.00 60.65 62.91 3grs s ILE 313 Cb -0.26 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 3grs s ILE 313 CO 0.32 0.34 0.57 -0.63 0.00 0.00 0.00 174.94 175.54 3grs s ILE 314 N -0.03 4.84 0.16 2.92 -1.09 -0.63 -4.51 121.20 122.85 3grs s ILE 314 Ca 0.43 1.20 -0.00 0.00 -2.23 0.00 0.00 60.65 60.05 3grs s ILE 314 Cb -0.22 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 3grs s ILE 314 CO 0.27 0.49 0.06 0.68 -1.23 0.00 0.00 174.94 175.21 3grs s VAL 315 N -0.68 0.22 0.00 2.92 -7.23 -1.26 -4.39 120.40 109.99 3grs s VAL 315 Ca 0.29 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 3grs s VAL 315 Cb -0.19 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.57 3grs s VAL 315 CO 0.18 -0.35 0.00 -0.90 -0.31 0.00 0.00 175.10 173.72 3grs n ASP 316 N -0.18 0.00 0.19 4.85 3.85 -0.30 -4.90 116.55 120.06 3grs n ASP 316 Ca -0.04 -0.94 0.14 0.00 -0.71 0.00 0.00 54.79 53.25 3grs n ASP 316 Cb 0.64 0.00 0.61 0.00 -1.35 0.00 0.00 41.12 41.02 3grs n ASP 316 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3grs h GLU 317 N 0.00 0.00 -0.61 0.11 4.11 -1.99 -1.97 114.58 114.24 3grs h GLU 317 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3grs h GLU 317 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3grs h GLU 317 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 3grs n PHE 318 N -2.57 0.87 -1.07 2.06 3.01 -1.26 -4.52 117.46 113.99 3grs n PHE 318 Ca 0.01 -0.52 -0.02 0.00 1.01 0.00 0.00 57.45 57.93 3grs n PHE 318 Cb 0.23 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 3grs n PHE 318 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3grs n GLN 319 N 1.23 -0.43 -2.73 -1.08 1.13 -0.74 -4.97 117.38 109.79 3grs n GLN 319 Ca 0.21 0.38 -0.37 0.00 -1.94 0.00 0.00 57.00 55.27 3grs n GLN 319 Cb 0.59 -3.91 -0.06 0.00 0.11 0.00 0.00 30.24 26.98 3grs n GLN 319 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3grs s ASN 320 N -2.43 7.31 0.62 1.08 0.01 -1.26 -1.82 114.94 118.45 3grs s ASN 320 Ca 0.00 1.90 -0.01 0.00 -0.71 0.00 0.00 52.86 54.04 3grs s ASN 320 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 3grs s ASN 320 CO 0.00 -0.09 0.12 0.35 -1.51 0.00 0.00 177.10 175.97 3grs n THR 321 N 0.65 0.00 1.12 1.60 -2.24 -0.78 -1.15 114.28 113.47 3grs n THR 321 Ca 0.02 -0.14 0.14 0.00 -2.27 0.00 0.00 64.05 61.79 3grs n THR 321 Cb 0.49 -1.54 0.57 0.00 -2.10 0.00 0.00 70.33 67.75 3grs n THR 321 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3grs n ASN 322 N -3.02 0.15 -4.60 3.42 6.94 -1.26 -4.74 115.26 112.15 3grs n ASN 322 Ca 0.02 0.13 -0.34 0.00 -0.02 0.00 0.00 54.58 54.36 3grs n ASN 322 Cb 0.06 -0.27 -0.10 0.00 -2.36 0.00 0.00 39.78 37.10 3grs n ASN 322 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3grs s VAL 323 N -2.87 4.63 0.22 3.53 1.01 -1.26 -5.06 120.40 120.60 3grs s VAL 323 Ca 0.18 -0.09 -0.32 0.00 0.00 0.00 0.00 61.98 61.75 3grs s VAL 323 Cb 0.19 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 33.36 3grs s VAL 323 CO 0.54 0.46 1.63 0.29 0.00 0.00 0.00 175.10 178.02 3grs n LYS 324 N 3.62 2.54 -1.01 2.72 5.02 -1.26 -2.36 118.16 127.43 3grs n LYS 324 Ca -0.17 0.91 -0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3grs n LYS 324 Cb 0.52 -2.71 -0.00 0.00 -0.02 0.00 0.00 35.03 32.83 3grs n LYS 324 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3grs n GLY 325 N 3.24 0.47 3.04 0.72 0.00 -1.26 -4.99 105.19 106.41 3grs n GLY 325 Ca 0.14 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3grs n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grs s ILE 326 N -1.97 1.58 0.32 -0.61 1.01 -1.00 -0.58 121.20 119.96 3grs s ILE 326 Ca 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.06 3grs s ILE 326 Cb 0.00 -1.46 -0.06 0.00 0.01 0.00 0.00 42.46 40.94 3grs s ILE 326 CO 0.00 0.46 -0.04 -0.31 0.00 0.00 0.00 174.94 175.05 3grs s TYR 327 N 1.27 2.18 -0.11 3.97 1.51 -0.19 -1.87 117.35 124.10 3grs s TYR 327 Ca 0.00 -0.67 -0.10 0.00 -1.01 0.00 0.00 57.07 55.29 3grs s TYR 327 Cb -0.14 -1.32 0.03 0.00 -0.11 0.00 0.00 41.96 40.42 3grs s TYR 327 CO -0.07 0.36 0.30 0.00 -1.11 0.00 0.00 175.55 175.03 3grs s ALA 328 N -2.88 -0.75 0.07 3.71 0.00 -0.75 -0.66 121.76 120.49 3grs s ALA 328 Ca 0.32 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 3grs s ALA 328 Cb 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3grs s ALA 328 CO 0.15 -0.14 -0.00 0.14 0.00 0.00 0.00 175.76 175.90 3grs s VAL 329 N 0.18 0.19 0.00 0.00 -7.23 -1.11 -4.73 120.40 107.70 3grs s VAL 329 Ca -0.00 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 3grs s VAL 329 Cb -0.02 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.28 3grs s VAL 329 CO 0.00 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 3grs n GLY 330 N 0.06 -1.36 0.37 2.32 0.00 -1.26 -4.28 105.19 101.03 3grs n GLY 330 Ca -0.12 -1.39 0.18 0.00 0.00 0.00 0.00 46.02 44.69 3grs n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3grs h ASP 331 N 1.12 0.07 0.39 1.61 3.45 -1.89 -1.25 116.42 119.92 3grs h ASP 331 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3grs h ASP 331 Cb 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3grs h ASP 331 CO 0.00 0.04 0.00 1.62 -1.57 0.00 0.00 179.24 179.33 3grs h VAL 332 N 0.08 0.00 0.00 -1.35 3.04 -1.74 -0.66 116.25 115.62 3grs h VAL 332 Ca 0.24 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 3grs h VAL 332 Cb 0.85 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 3grs h VAL 332 CO -0.02 0.00 -0.58 0.00 -1.01 0.00 0.00 177.57 175.96 3grs n GLY 334 N 1.30 0.62 3.29 0.00 0.00 -0.25 -4.68 105.19 105.47 3grs n GLY 334 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3grs n GLY 334 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3grs s LYS 335 N -0.14 2.63 -0.67 1.61 -2.85 -1.26 -4.82 119.74 114.25 3grs s LYS 335 Ca 0.00 -0.87 -0.10 0.00 -1.00 0.00 0.00 55.97 54.00 3grs s LYS 335 Cb 0.00 -2.22 0.01 0.00 -2.06 0.00 0.00 37.83 33.56 3grs s LYS 335 CO 0.00 0.38 0.64 0.00 0.10 0.00 0.00 175.35 176.47 3grs n ALA 336 N 2.96 -2.66 -1.94 0.59 0.00 -1.26 -4.80 120.51 113.41 3grs n ALA 336 Ca -0.18 0.17 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3grs n ALA 336 Cb 0.52 -1.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 3grs n ALA 336 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3grs n LEU 337 N -1.53 5.29 -3.92 0.00 4.77 -1.26 -4.76 117.00 115.59 3grs n LEU 337 Ca -0.10 -3.73 -0.10 0.00 -0.03 0.00 0.00 56.01 52.04 3grs n LEU 337 Cb 0.59 -1.60 -0.12 0.00 -2.33 0.00 0.00 43.42 39.96 3grs n LEU 337 CO 0.56 0.18 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.71 3grs s LEU 338 N 3.79 2.02 0.13 2.23 1.43 -1.26 -5.07 118.68 121.94 3grs s LEU 338 Ca 0.54 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 53.20 3grs s LEU 338 Cb 0.09 0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.44 3grs s LEU 338 CO 0.03 -0.20 1.77 0.74 0.23 0.00 0.00 176.35 178.92 3grs h THR 339 N 4.77 1.09 0.00 5.49 2.02 -2.00 -2.60 112.91 121.68 3grs h THR 339 Ca -0.29 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3grs h THR 339 Cb 1.21 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3grs h THR 339 CO 0.44 0.09 -0.17 -0.65 0.37 0.00 0.00 175.52 175.60 3grs h PRO 340 N 0.35 0.00 -0.20 6.66 0.11 -1.98 -1.29 132.00 135.65 3grs h PRO 340 Ca 0.10 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.06 3grs h PRO 340 Cb -0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3grs h PRO 340 CO -0.02 0.17 -0.45 0.28 -0.21 0.00 0.00 178.00 177.76 3grs h VAL 341 N 0.00 1.32 -0.43 3.15 2.07 -1.78 -0.73 116.25 119.85 3grs h VAL 341 Ca -0.00 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3grs h VAL 341 Cb 0.36 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3grs h VAL 341 CO 0.02 0.53 0.28 0.00 0.02 0.00 0.00 177.57 178.42 3grs h ALA 342 N 0.60 0.54 0.55 1.67 0.00 -1.21 0.87 119.26 122.28 3grs h ALA 342 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3grs h ALA 342 Cb 1.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3grs h ALA 342 CO 0.10 -0.00 -0.28 0.82 0.00 0.00 0.00 179.25 179.89 3grs h ILE 343 N 0.58 0.43 -0.66 0.00 2.04 -1.21 0.02 117.51 118.72 3grs h ILE 343 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 3grs h ILE 343 Cb -0.06 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3grs h ILE 343 CO -0.03 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.55 3grs h ALA 344 N -0.31 0.83 -0.66 1.87 0.00 -0.95 -0.19 119.26 119.84 3grs h ALA 344 Ca -0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3grs h ALA 344 Cb 0.59 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3grs h ALA 344 CO 0.11 0.27 0.24 0.00 0.00 0.00 0.00 179.25 179.87 3grs h ALA 345 N 1.23 0.87 -0.41 0.00 0.00 -0.73 -0.98 119.26 119.24 3grs h ALA 345 Ca 0.24 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3grs h ALA 345 Cb -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3grs h ALA 345 CO -0.05 0.51 -0.09 0.78 0.00 0.00 0.00 179.25 180.40 3grs h GLY 346 N 0.95 0.76 0.65 0.00 0.00 -0.40 -2.01 103.07 103.02 3grs h GLY 346 Ca 0.22 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3grs h GLY 346 CO -0.01 0.51 -0.15 3.21 0.00 0.00 0.00 176.54 180.09 3grs h ARG 347 N 0.65 0.26 -0.58 4.80 3.08 -0.85 -1.94 114.38 119.79 3grs h ARG 347 Ca 0.12 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3grs h ARG 347 Cb 0.53 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 3grs h ARG 347 CO 0.03 0.74 0.38 0.87 -1.07 0.00 0.00 179.97 180.93 3grs h LYS 348 N -0.20 0.73 -0.28 0.04 1.79 -1.14 -2.09 116.57 115.42 3grs h LYS 348 Ca 0.01 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 3grs h LYS 348 Cb 0.73 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 3grs h LYS 348 CO 0.03 0.48 -0.12 1.25 -1.08 0.00 0.00 179.45 180.02 3grs h LEU 349 N 0.75 0.59 -0.84 2.94 5.85 -1.24 -1.58 115.31 121.78 3grs h LEU 349 Ca 0.22 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3grs h LEU 349 Cb -0.03 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3grs h LEU 349 CO -0.05 0.85 0.55 0.00 -0.34 0.00 0.00 178.44 179.45 3grs h ALA 350 N 0.75 1.06 -0.75 1.25 0.00 -0.77 -1.12 119.26 119.67 3grs h ALA 350 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3grs h ALA 350 Cb 0.63 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3grs h ALA 350 CO 0.04 0.47 0.39 0.45 0.00 0.00 0.00 179.25 180.60 3grs h HIS 351 N 1.13 1.05 -0.28 0.00 3.86 -1.24 -0.33 115.15 119.35 3grs h HIS 351 Ca 0.31 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3grs h HIS 351 Cb -0.13 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.00 3grs h HIS 351 CO -0.01 0.76 0.18 -0.09 0.86 0.00 0.00 177.93 179.62 3grs h ARG 352 N 1.05 0.37 -0.03 2.45 2.43 -0.83 -0.36 114.38 119.47 3grs h ARG 352 Ca 0.26 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 3grs h ARG 352 Cb 0.07 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3grs h ARG 352 CO -0.04 0.28 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.06 3grs h LEU 353 N 0.36 0.54 0.00 3.80 3.38 -1.04 -2.96 115.31 119.39 3grs h LEU 353 Ca 0.10 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3grs h LEU 353 Cb -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3grs h LEU 353 CO -0.02 1.19 -1.01 0.49 0.09 0.00 0.00 178.44 179.18 3grs n PHE 354 N -4.23 0.00 0.16 1.13 3.72 -0.15 -4.28 117.46 113.80 3grs n PHE 354 Ca -0.10 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.34 3grs n PHE 354 Cb 0.65 -0.10 0.06 0.00 -0.94 0.00 0.00 39.48 39.14 3grs n PHE 354 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3grs n GLU 355 N -1.56 1.06 -2.12 -1.08 2.13 -0.17 -4.98 120.64 113.93 3grs n GLU 355 Ca 0.01 -1.28 -0.19 0.00 0.66 0.00 0.00 57.16 56.37 3grs n GLU 355 Cb 0.29 -1.16 -0.03 0.00 0.27 0.00 0.00 31.44 30.81 3grs n GLU 355 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3grs n TYR 356 N 0.34 -0.74 -2.78 4.31 4.01 -1.05 -4.90 117.16 116.34 3grs n TYR 356 Ca 0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.37 3grs n TYR 356 Cb 0.25 -3.59 -0.03 0.00 -0.31 0.00 0.00 39.34 35.66 3grs n TYR 356 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3grs s LYS 357 N -4.56 3.44 0.58 -0.72 1.02 -1.12 -4.90 119.74 113.49 3grs s LYS 357 Ca 0.00 -1.24 0.35 0.00 0.02 0.00 0.00 55.97 55.11 3grs s LYS 357 Cb 0.00 -4.80 1.75 0.00 -0.52 0.00 0.00 37.83 34.25 3grs s LYS 357 CO 0.00 -1.93 2.14 1.05 -0.92 0.00 0.00 175.35 175.69 3grs h GLU 358 N 9.37 0.00 -0.34 1.68 4.11 -1.89 -1.68 114.58 125.82 3grs h GLU 358 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3grs h GLU 358 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3grs h GLU 358 CO 1.22 0.04 0.00 -0.40 0.07 0.00 0.00 179.01 179.94 3grs n ASP 359 N -3.26 2.72 -4.61 3.06 5.75 -1.26 -4.88 116.55 114.06 3grs n ASP 359 Ca -0.01 -1.90 -0.43 0.00 -0.01 0.00 0.00 54.79 52.44 3grs n ASP 359 Cb 0.21 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 3grs n ASP 359 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3grs s SER 360 N -1.41 6.46 0.13 -1.12 0.15 -0.63 -4.96 113.70 112.31 3grs s SER 360 Ca 0.36 0.97 -0.25 0.00 0.70 0.00 0.00 55.95 57.73 3grs s SER 360 Cb 0.20 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 62.04 3grs s SER 360 CO 0.28 -1.30 0.76 -1.59 1.20 0.00 0.00 173.24 172.59 3grs s LYS 361 N 4.65 1.22 -0.01 5.44 -2.85 -1.26 -4.64 119.74 122.29 3grs s LYS 361 Ca 0.59 -0.54 -0.20 0.00 -1.00 0.00 0.00 55.97 54.83 3grs s LYS 361 Cb -0.15 0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 36.07 3grs s LYS 361 CO 0.29 -0.54 0.58 -1.17 0.10 0.00 0.00 175.35 174.61 3grs s LEU 362 N -2.73 4.41 -0.33 2.77 2.96 -1.26 -5.02 118.68 119.49 3grs s LEU 362 Ca 0.05 1.13 -0.25 0.00 -0.22 0.00 0.00 54.13 54.85 3grs s LEU 362 Cb -0.02 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.78 3grs s LEU 362 CO -0.06 0.10 0.86 -0.62 -1.32 0.00 0.00 176.35 175.30 3grs s ASP 363 N -0.16 6.69 0.00 3.68 2.15 -1.26 -4.93 116.67 122.84 3grs s ASP 363 Ca 0.31 0.67 0.19 0.00 0.43 0.00 0.00 52.55 54.15 3grs s ASP 363 Cb -0.18 -2.44 1.00 0.00 -0.30 0.00 0.00 42.92 41.01 3grs s ASP 363 CO 0.17 -0.71 1.66 -1.22 -0.17 0.00 0.00 175.17 174.90 3grs n TYR 364 N 6.43 0.06 -3.12 -5.34 4.02 -1.26 -4.81 117.16 113.13 3grs n TYR 364 Ca 0.05 -0.03 -0.28 0.00 -0.01 0.00 0.00 57.90 57.63 3grs n TYR 364 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.77 3grs n TYR 364 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3grs s ASN 365 N -1.57 6.42 -1.52 7.72 0.02 -1.26 -4.29 114.94 120.45 3grs s ASN 365 Ca 0.29 0.81 -0.06 0.00 -1.02 0.00 0.00 52.86 52.88 3grs s ASN 365 Cb 0.14 -2.19 0.01 0.00 0.02 0.00 0.00 41.25 39.23 3grs s ASN 365 CO 0.23 -0.31 0.73 0.59 0.02 0.00 0.00 177.10 178.36 3grs n ASN 366 N -1.33 -6.15 -4.68 -1.22 5.03 -1.26 -4.97 115.26 100.68 3grs n ASN 366 Ca -0.01 -0.35 -0.42 0.00 0.87 0.00 0.00 54.58 54.67 3grs n ASN 366 Cb 0.54 -4.94 -0.03 0.00 -1.02 0.00 0.00 39.78 34.33 3grs n ASN 366 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3grs s ILE 367 N -3.21 4.81 0.35 2.41 1.01 -1.26 -4.72 121.20 120.59 3grs s ILE 367 Ca 0.37 1.93 -0.15 0.00 0.00 0.00 0.00 60.65 62.81 3grs s ILE 367 Cb -0.16 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 3grs s ILE 367 CO 0.46 0.01 0.77 -2.16 0.00 0.00 0.00 174.94 174.01 3grs s PRO 368 N 2.06 3.98 0.01 2.79 0.04 -1.26 -4.41 135.00 138.22 3grs s PRO 368 Ca 0.46 0.69 0.02 0.00 0.04 0.00 0.00 61.00 62.21 3grs s PRO 368 Cb -0.18 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 3grs s PRO 368 CO 0.16 0.09 -0.07 0.99 0.04 0.00 0.00 177.00 178.21 3grs s THR 369 N -2.09 0.56 -0.07 1.26 2.01 -0.19 -5.02 115.64 112.11 3grs s THR 369 Ca 0.55 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 62.00 3grs s THR 369 Cb -0.10 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 3grs s THR 369 CO 0.20 -0.04 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.19 3grs s VAL 370 N -0.60 1.76 -0.21 3.82 1.01 -1.26 -1.04 120.40 123.88 3grs s VAL 370 Ca -0.02 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 3grs s VAL 370 Cb -0.05 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3grs s VAL 370 CO 0.00 0.49 -0.02 -0.69 0.00 0.00 0.00 175.10 174.88 3grs s VAL 371 N 0.14 3.66 -1.42 2.92 1.01 0.10 -4.97 120.40 121.85 3grs s VAL 371 Ca -0.09 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 3grs s VAL 371 Cb -0.15 -2.66 0.07 0.00 0.00 0.00 0.00 36.38 33.64 3grs s VAL 371 CO 0.05 0.43 2.31 0.49 0.00 0.00 0.00 175.10 178.38 3grs n PHE 372 N 4.48 2.92 -2.09 5.22 3.72 -1.26 -0.73 117.46 129.73 3grs n PHE 372 Ca -0.18 -2.91 0.00 0.00 -0.05 0.00 0.00 57.45 54.31 3grs n PHE 372 Cb 0.51 -2.22 0.00 0.00 -0.94 0.00 0.00 39.48 36.84 3grs n PHE 372 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3grs n SER 373 N 4.01 0.00 -3.89 4.37 3.41 -1.26 -4.67 113.62 115.59 3grs n SER 373 Ca 0.56 -0.87 -0.30 0.00 -0.26 0.00 0.00 58.87 58.00 3grs n SER 373 Cb 0.32 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.11 3grs n SER 373 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3grs s HIS 374 N 0.34 2.30 0.88 7.33 0.09 -1.26 -2.60 115.29 122.37 3grs s HIS 374 Ca 0.00 -1.83 -0.12 0.00 -0.00 0.00 0.00 55.06 53.11 3grs s HIS 374 Cb 0.00 -1.74 0.12 0.00 -0.00 0.00 0.00 32.58 30.96 3grs s HIS 374 CO 0.00 -0.80 1.12 -2.14 -0.00 0.00 0.00 174.74 172.91 3grs s PRO 375 N 1.42 1.42 0.77 8.40 0.02 -1.26 -4.76 135.00 141.01 3grs s PRO 375 Ca 0.00 0.47 -0.11 0.00 0.02 0.00 0.00 61.00 61.38 3grs s PRO 375 Cb -0.18 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.53 3grs s PRO 375 CO -0.11 -2.05 1.08 -1.25 -0.33 0.00 0.00 177.00 174.35 3grs s PRO 376 N -5.18 2.30 -0.03 5.54 0.04 -1.07 -4.53 135.00 132.06 3grs s PRO 376 Ca 0.63 0.90 0.05 0.00 0.04 0.00 0.00 61.00 62.62 3grs s PRO 376 Cb -0.15 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3grs s PRO 376 CO 0.54 -1.54 -0.17 0.42 0.04 0.00 0.00 177.00 176.29 3grs s ILE 377 N -3.02 2.81 -0.04 0.56 1.01 0.09 -1.68 121.20 120.93 3grs s ILE 377 Ca 0.60 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 60.41 3grs s ILE 377 Cb -0.15 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3grs s ILE 377 CO 0.55 0.55 -0.12 -0.83 0.00 0.00 0.00 174.94 175.10 3grs s GLY 378 N -0.81 0.69 -0.02 6.18 0.00 -0.62 -0.72 107.32 112.03 3grs s GLY 378 Ca 0.12 -0.45 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 3grs s GLY 378 CO 0.01 -0.12 0.12 -1.08 0.00 0.00 0.00 173.10 172.03 3grs s THR 379 N 0.24 0.05 -0.15 0.90 -1.32 -0.21 -1.36 115.64 113.80 3grs s THR 379 Ca -0.05 -0.45 -0.12 0.00 -1.21 0.00 0.00 61.69 59.85 3grs s THR 379 Cb -0.11 -0.32 0.04 0.00 -1.51 0.00 0.00 72.50 70.60 3grs s THR 379 CO 0.01 -0.25 0.38 0.54 -2.21 0.00 0.00 174.62 173.10 3grs s VAL 380 N -0.84 -0.01 0.00 5.08 0.11 -0.48 -1.02 120.40 123.24 3grs s VAL 380 Ca -0.09 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3grs s VAL 380 Cb -0.05 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 3grs s VAL 380 CO 0.01 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 3grs n GLY 381 N 3.14 -1.72 3.80 6.54 0.00 -1.26 -1.59 105.19 114.09 3grs n GLY 381 Ca -0.15 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 3grs n GLY 381 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3grs s LEU 382 N 0.00 4.29 0.84 0.99 1.43 0.59 -4.87 118.68 121.94 3grs s LEU 382 Ca 0.00 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 3grs s LEU 382 Cb 0.00 -3.90 0.10 0.00 0.03 0.00 0.00 46.19 42.41 3grs s LEU 382 CO 0.00 -0.06 1.15 0.42 0.23 0.00 0.00 176.35 178.09 3grs s THR 383 N -1.65 2.22 0.24 5.49 -4.23 -1.26 -4.14 115.64 112.31 3grs s THR 383 Ca 0.49 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 61.01 3grs s THR 383 Cb -0.17 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 70.95 3grs s THR 383 CO 0.21 -0.09 1.88 -0.08 -0.54 0.00 0.00 174.62 176.00 3grs h GLU 384 N -1.19 1.07 -0.52 3.99 4.81 -1.97 -1.58 114.58 119.19 3grs h GLU 384 Ca -0.48 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.62 3grs h GLU 384 Cb 1.32 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 3grs h GLU 384 CO 0.64 0.71 0.07 -0.44 -0.73 0.00 0.00 179.01 179.26 3grs h ASP 385 N 1.10 0.84 -0.52 1.04 3.45 -1.99 -0.84 116.42 119.50 3grs h ASP 385 Ca 0.37 -0.27 -0.04 0.00 0.43 0.00 0.00 57.03 57.52 3grs h ASP 385 Cb 0.05 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.57 3grs h ASP 385 CO -0.14 0.89 0.19 -0.33 -1.57 0.00 0.00 179.24 178.29 3grs h GLU 386 N 0.75 0.84 -0.27 3.56 5.08 -1.77 -0.91 114.58 121.87 3grs h GLU 386 Ca 0.16 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 3grs h GLU 386 Cb 0.42 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3grs h GLU 386 CO 0.01 0.71 -0.53 0.00 -1.00 0.00 0.00 179.01 178.21 3grs h ALA 387 N 1.39 0.56 -0.50 3.43 0.00 -1.05 -1.75 119.26 121.33 3grs h ALA 387 Ca 0.19 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3grs h ALA 387 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3grs h ALA 387 CO -0.01 0.68 0.30 0.82 0.00 0.00 0.00 179.25 181.04 3grs h ILE 388 N 0.61 1.06 0.00 0.00 2.04 -0.80 0.19 117.51 120.61 3grs h ILE 388 Ca 0.02 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3grs h ILE 388 Cb 1.11 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3grs h ILE 388 CO 0.11 0.11 -0.10 -0.74 0.00 0.00 0.00 178.15 177.53 3grs h HIS 389 N 0.61 0.00 0.07 1.37 2.76 -1.08 0.11 115.15 118.99 3grs h HIS 389 Ca 0.20 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 58.02 3grs h HIS 389 Cb 0.01 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 3grs h HIS 389 CO -0.06 0.10 -1.97 1.17 -1.30 0.00 0.00 177.93 175.87 3grs n LYS 390 N -3.25 0.71 -0.00 5.26 4.81 -0.66 -4.59 118.16 120.44 3grs n LYS 390 Ca 0.00 0.25 0.04 0.00 -0.87 0.00 0.00 58.31 57.73 3grs n LYS 390 Cb 0.35 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 33.63 3grs n LYS 390 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3grs n TYR 391 N -3.31 0.00 0.00 5.64 4.02 0.59 -5.09 117.16 119.02 3grs n TYR 391 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 3grs n TYR 391 Cb 1.05 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 3grs n TYR 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3grs n GLY 392 N 1.97 2.14 0.37 2.72 0.00 0.38 -4.39 105.19 108.39 3grs n GLY 392 Ca -0.01 -1.59 0.17 0.00 0.00 0.00 0.00 46.02 44.59 3grs n GLY 392 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3grs h ILE 393 N 0.00 0.80 0.00 -0.61 1.08 -1.90 0.76 117.51 117.64 3grs h ILE 393 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 3grs h ILE 393 Cb 0.00 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 3grs h ILE 393 CO 0.00 0.02 0.00 1.05 -0.69 0.00 0.00 178.15 178.53 3grs h GLU 394 N 0.13 0.00 -0.62 2.37 4.11 -1.94 -3.22 114.58 115.41 3grs h GLU 394 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 3grs h GLU 394 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3grs h GLU 394 CO -0.03 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.14 3grs n ASN 395 N -3.06 4.38 -4.17 3.06 3.02 0.25 -4.93 115.26 113.81 3grs n ASN 395 Ca 0.02 -2.34 -0.29 0.00 -0.03 0.00 0.00 54.58 51.94 3grs n ASN 395 Cb 0.41 -0.53 -0.17 0.00 -0.61 0.00 0.00 39.78 38.89 3grs n ASN 395 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3grs s VAL 396 N -1.64 1.72 -0.03 2.41 1.01 -1.19 -1.07 120.40 121.61 3grs s VAL 396 Ca 0.48 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3grs s VAL 396 Cb 0.29 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3grs s VAL 396 CO 0.25 0.48 -0.06 -0.75 0.00 0.00 0.00 175.10 175.03 3grs s LYS 397 N 0.23 0.80 0.22 2.72 2.20 -0.77 -4.99 119.74 120.15 3grs s LYS 397 Ca -0.11 -0.16 0.10 0.00 -0.36 0.00 0.00 55.97 55.44 3grs s LYS 397 Cb -0.15 -0.78 -0.04 0.00 -1.51 0.00 0.00 37.83 35.34 3grs s LYS 397 CO 0.05 -0.01 -0.15 0.95 -0.36 0.00 0.00 175.35 175.84 3grs s THR 398 N 0.60 2.82 -0.01 3.43 -4.23 -1.26 -0.24 115.64 116.75 3grs s THR 398 Ca -0.08 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.50 3grs s THR 398 Cb -0.12 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 3grs s THR 398 CO 0.00 -0.21 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.43 3grs s TYR 399 N -1.96 1.16 0.16 3.99 1.51 0.23 -4.97 117.35 117.47 3grs s TYR 399 Ca 0.26 -0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 56.00 3grs s TYR 399 Cb -0.07 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 3grs s TYR 399 CO 0.14 -0.02 0.30 -1.54 -1.11 0.00 0.00 175.55 173.32 3grs s SER 400 N -0.31 0.02 0.07 2.29 1.04 -1.26 0.00 113.70 115.55 3grs s SER 400 Ca 0.05 -0.83 -0.13 0.00 0.48 0.00 0.00 55.95 55.52 3grs s SER 400 Cb -0.05 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.53 3grs s SER 400 CO -0.00 -0.90 0.28 0.28 0.98 0.00 0.00 173.24 173.88 3grs s THR 401 N -3.96 0.10 -0.08 2.02 -1.32 -0.49 -4.91 115.64 107.01 3grs s THR 401 Ca 0.16 -0.80 -0.04 0.00 -1.21 0.00 0.00 61.69 59.80 3grs s THR 401 Cb 0.03 -1.07 0.04 0.00 -1.51 0.00 0.00 72.50 69.99 3grs s THR 401 CO -0.01 -0.44 0.17 -0.55 -2.21 0.00 0.00 174.62 171.58 3grs s SER 402 N -2.38 -0.15 0.23 8.08 0.15 -1.26 -1.79 113.70 116.58 3grs s SER 402 Ca -0.01 0.36 -0.22 0.00 0.70 0.00 0.00 55.95 56.78 3grs s SER 402 Cb 0.01 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.61 3grs s SER 402 CO -0.07 -0.15 0.67 0.72 1.20 0.00 0.00 173.24 175.61 3grs s PHE 403 N 1.13 -0.32 -0.32 3.44 -0.71 -0.29 -4.98 117.98 115.93 3grs s PHE 403 Ca -0.09 -0.04 -0.14 0.00 -1.04 0.00 0.00 56.93 55.63 3grs s PHE 403 Cb -0.11 0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 3grs s PHE 403 CO -0.06 -1.08 0.30 0.99 -1.34 0.00 0.00 175.22 174.03 3grs s THR 404 N -3.85 5.23 0.46 -4.49 2.01 -1.26 -0.18 115.64 113.55 3grs s THR 404 Ca 0.07 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 3grs s THR 404 Cb -0.04 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 3grs s THR 404 CO -0.01 0.03 1.35 -2.65 -0.69 0.00 0.00 174.62 172.65 3grs n PRO 405 N 5.24 2.00 -0.29 4.92 -0.02 -1.26 -4.84 135.00 140.75 3grs n PRO 405 Ca -0.11 0.72 0.34 0.00 -2.02 0.00 0.00 63.50 62.43 3grs n PRO 405 Cb 0.50 -2.52 0.74 0.00 -0.02 0.00 0.00 33.50 32.20 3grs n PRO 405 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3grs h MET 406 N 2.00 0.00 -0.97 -0.52 1.85 -1.97 0.17 114.93 115.49 3grs h MET 406 Ca -0.50 0.00 0.25 0.00 -0.61 0.00 0.00 59.70 58.84 3grs h MET 406 Cb 1.29 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 33.25 3grs h MET 406 CO 0.60 0.00 0.65 -0.92 -0.40 0.00 0.00 176.91 176.84 3grs h TYR 407 N 0.00 0.43 -0.18 1.39 3.20 -2.01 -1.14 116.97 118.66 3grs h TYR 407 Ca 0.54 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.42 3grs h TYR 407 Cb 2.20 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.34 3grs h TYR 407 CO 0.00 0.08 0.00 0.72 -1.64 0.00 0.00 178.16 177.32 3grs n HIS 408 N -4.47 0.22 0.19 -3.82 8.25 0.05 -4.18 115.22 111.45 3grs n HIS 408 Ca 0.22 -0.11 0.15 0.00 -0.26 0.00 0.00 57.72 57.71 3grs n HIS 408 Cb 0.86 0.00 0.75 0.00 1.12 0.00 0.00 29.99 32.72 3grs n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3grs h ALA 409 N 4.34 1.99 -0.14 -1.41 0.00 -1.30 -2.19 119.26 120.55 3grs h ALA 409 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3grs h ALA 409 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3grs h ALA 409 CO 0.00 -0.25 0.00 1.33 0.00 0.00 0.00 179.25 180.33 3grs n VAL 410 N -4.17 1.19 -4.21 0.00 0.24 -1.26 -5.04 118.33 105.08 3grs n VAL 410 Ca 0.02 -1.20 -0.26 0.00 -2.04 0.00 0.00 64.34 60.85 3grs n VAL 410 Cb 0.29 0.37 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 3grs n VAL 410 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3grs s THR 411 N -1.33 3.69 0.06 3.34 -4.23 -0.82 -4.75 115.64 111.60 3grs s THR 411 Ca 0.14 -1.44 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 3grs s THR 411 Cb 0.10 -2.86 -0.24 0.00 1.34 0.00 0.00 72.50 70.84 3grs s THR 411 CO 0.06 -0.12 1.06 0.11 -0.54 0.00 0.00 174.62 175.20 3grs h LYS 412 N 2.70 0.08 -6.83 3.99 1.57 -1.97 -3.44 116.57 112.66 3grs h LYS 412 Ca -0.47 -0.14 -0.48 0.00 -1.87 0.00 0.00 60.65 57.70 3grs h LYS 412 Cb 1.20 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3grs h LYS 412 CO 0.58 0.95 0.36 0.50 -0.57 0.00 0.00 179.45 181.27 3grs s ARG 413 N -2.66 4.67 0.05 3.15 3.52 -1.26 -5.07 118.95 121.34 3grs s ARG 413 Ca -0.03 1.42 0.02 0.00 -0.13 0.00 0.00 55.73 57.01 3grs s ARG 413 Cb 0.09 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 3grs s ARG 413 CO 0.83 0.34 -0.07 0.15 -0.81 0.00 0.00 175.30 175.75 3grs s LYS 414 N -1.72 0.54 0.07 5.12 -0.14 -1.26 -4.92 119.74 117.43 3grs s LYS 414 Ca 0.47 -0.84 -0.00 0.00 -1.36 0.00 0.00 55.97 54.24 3grs s LYS 414 Cb -0.22 -0.19 -0.04 0.00 -1.68 0.00 0.00 37.83 35.70 3grs s LYS 414 CO 0.28 0.02 -0.02 0.95 -0.76 0.00 0.00 175.35 175.81 3grs s THR 415 N -1.84 0.31 0.35 2.17 -4.23 -1.26 -5.07 115.64 106.06 3grs s THR 415 Ca -0.07 -1.85 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 3grs s THR 415 Cb -0.07 -1.64 -0.05 0.00 1.34 0.00 0.00 72.50 72.09 3grs s THR 415 CO -0.01 -0.89 0.12 -0.75 -0.54 0.00 0.00 174.62 172.55 3grs s LYS 416 N -3.92 2.30 -0.10 3.99 2.20 -1.26 -4.35 119.74 118.59 3grs s LYS 416 Ca 0.11 -1.62 0.02 0.00 -0.36 0.00 0.00 55.97 54.11 3grs s LYS 416 Cb 0.07 -2.10 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 3grs s LYS 416 CO -0.07 0.09 -0.15 0.00 -0.36 0.00 0.00 175.35 174.86 3grs s VAL 418 N 0.96 1.86 0.01 0.00 -7.23 -0.56 -1.14 120.40 114.31 3grs s VAL 418 Ca -0.07 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.13 3grs s VAL 418 Cb -0.15 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 3grs s VAL 418 CO -0.01 0.52 -0.06 -0.04 -0.31 0.00 0.00 175.10 175.20 3grs s MET 419 N -0.40 0.45 -0.03 4.82 -1.94 -0.74 -1.16 119.30 120.30 3grs s MET 419 Ca 0.05 -0.36 -0.02 0.00 -1.71 0.00 0.00 55.69 53.65 3grs s MET 419 Cb -0.10 -0.37 0.02 0.00 2.01 0.00 0.00 34.83 36.38 3grs s MET 419 CO 0.00 0.09 0.07 0.21 -0.01 0.00 0.00 175.02 175.39 3grs s LYS 420 N -0.56 0.05 -0.13 2.03 2.20 -0.02 -1.39 119.74 121.92 3grs s LYS 420 Ca -0.02 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 3grs s LYS 420 Cb -0.04 -0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 36.20 3grs s LYS 420 CO -0.00 -0.08 -0.18 1.41 -0.36 0.00 0.00 175.35 176.15 3grs s MET 421 N 0.50 3.20 -0.34 4.03 -2.45 0.10 -1.45 119.30 122.88 3grs s MET 421 Ca -0.04 -0.78 -0.11 0.00 -1.25 0.00 0.00 55.69 53.52 3grs s MET 421 Cb -0.05 -2.52 0.01 0.00 1.25 0.00 0.00 34.83 33.51 3grs s MET 421 CO -0.02 0.11 0.18 0.08 1.05 0.00 0.00 175.02 176.43 3grs s VAL 422 N 0.56 4.66 0.14 10.11 1.01 0.06 -0.60 120.40 136.34 3grs s VAL 422 Ca -0.11 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3grs s VAL 422 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3grs s VAL 422 CO 0.04 -0.07 0.08 0.00 0.00 0.00 0.00 175.10 175.14 3grs s ALA 424 N -1.62 1.34 0.34 0.00 0.00 -0.42 -1.85 121.76 119.56 3grs s ALA 424 Ca 0.29 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3grs s ALA 424 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3grs s ALA 424 CO 0.21 0.19 0.00 0.09 0.00 0.00 0.00 175.76 176.25 3grs n ASN 425 N 1.11 -7.36 0.18 0.00 5.03 -0.23 -1.16 115.26 112.84 3grs n ASN 425 Ca -0.20 0.66 0.03 0.00 0.87 0.00 0.00 54.58 55.94 3grs n ASN 425 Cb 0.54 -3.84 0.35 0.00 -1.02 0.00 0.00 39.78 35.81 3grs n ASN 425 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3grs h LYS 426 N -1.16 0.00 0.00 3.52 3.64 -1.99 -1.39 116.57 119.19 3grs h LYS 426 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3grs h LYS 426 Cb 1.14 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3grs h LYS 426 CO 0.02 0.40 -0.02 1.05 -2.27 0.00 0.00 179.45 178.63 3grs h GLU 427 N 0.00 0.00 -5.49 1.90 9.09 -2.01 -3.47 114.58 114.60 3grs h GLU 427 Ca -0.00 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.12 3grs h GLU 427 Cb 0.74 0.00 0.18 0.00 -1.65 0.00 0.00 28.75 28.02 3grs h GLU 427 CO 0.05 0.02 -0.80 0.39 0.05 0.00 0.00 179.01 178.73 3grs n GLU 428 N -3.12 -4.48 -2.01 1.06 1.02 -0.52 -4.37 120.64 108.21 3grs n GLU 428 Ca 0.01 0.84 -0.41 0.00 -0.02 0.00 0.00 57.16 57.58 3grs n GLU 428 Cb 0.34 -5.78 -0.02 0.00 -0.02 0.00 0.00 31.44 25.96 3grs n GLU 428 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3grs s LYS 429 N -4.88 4.27 -0.54 3.49 2.20 -0.31 -0.97 119.74 123.00 3grs s LYS 429 Ca 0.21 2.30 -0.29 0.00 -0.36 0.00 0.00 55.97 57.83 3grs s LYS 429 Cb -0.03 -3.12 0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3grs s LYS 429 CO 0.72 -0.44 1.17 0.08 -0.36 0.00 0.00 175.35 176.53 3grs s VAL 430 N 0.14 4.08 -1.35 4.02 1.01 0.10 -1.30 120.40 127.10 3grs s VAL 430 Ca 0.60 1.02 0.16 0.00 0.00 0.00 0.00 61.98 63.77 3grs s VAL 430 Cb -0.42 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.24 3grs s VAL 430 CO 0.42 -1.22 0.83 1.33 0.00 0.00 0.00 175.10 176.45 3grs n VAL 431 N 6.74 0.00 -3.63 2.92 0.24 -0.08 -4.77 118.33 119.75 3grs n VAL 431 Ca 0.10 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 3grs n VAL 431 Cb 0.49 1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 33.94 3grs n VAL 431 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3grs s GLY 432 N -2.06 -0.48 -0.05 7.63 0.00 -1.09 -0.30 107.32 110.97 3grs s GLY 432 Ca 0.12 2.14 0.01 0.00 0.00 0.00 0.00 44.72 46.99 3grs s GLY 432 CO 0.47 1.77 -0.07 -0.42 0.00 0.00 0.00 173.10 174.84 3grs s ILE 433 N 0.36 0.75 -0.03 0.90 1.01 -0.62 -0.76 121.20 122.80 3grs s ILE 433 Ca 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.42 3grs s ILE 433 Cb -0.05 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.72 3grs s ILE 433 CO -0.00 0.27 -0.01 -1.00 0.00 0.00 0.00 174.94 174.20 3grs s HIS 434 N 0.84 0.42 0.12 3.97 3.76 -0.53 -1.39 115.29 122.48 3grs s HIS 434 Ca -0.12 -0.05 -0.17 0.00 -0.15 0.00 0.00 55.06 54.56 3grs s HIS 434 Cb -0.15 -0.47 0.04 0.00 1.11 0.00 0.00 32.58 33.11 3grs s HIS 434 CO 0.01 -0.14 0.43 0.00 -0.85 0.00 0.00 174.74 174.19 3grs s MET 435 N 0.97 1.08 -0.05 1.40 0.23 -0.46 -0.84 119.30 121.62 3grs s MET 435 Ca -0.11 -0.63 -0.03 0.00 -1.03 0.00 0.00 55.69 53.89 3grs s MET 435 Cb -0.14 0.48 0.03 0.00 -1.53 0.00 0.00 34.83 33.67 3grs s MET 435 CO -0.01 -0.42 0.12 -1.14 -2.03 0.00 0.00 175.02 171.53 3grs s GLN 436 N -3.64 0.09 0.00 3.16 0.74 -0.31 -1.58 119.66 118.12 3grs s GLN 436 Ca 0.02 0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.70 3grs s GLN 436 Cb 0.01 -0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.02 3grs s GLN 436 CO -0.11 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 3grs n GLY 437 N 3.79 2.69 3.68 2.59 0.00 -0.67 -1.49 105.19 115.77 3grs n GLY 437 Ca -0.22 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.33 3grs n GLY 437 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3grs n LEU 438 N 0.00 3.34 0.00 0.99 4.77 -1.26 -1.59 117.00 123.25 3grs n LEU 438 Ca 0.00 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 3grs n LEU 438 Cb 0.00 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.63 3grs n LEU 438 CO 0.00 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 3grs n GLY 439 N 3.63 1.65 0.31 -0.72 0.00 -1.26 -4.91 105.19 103.89 3grs n GLY 439 Ca 0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.39 3grs n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grs h ASP 441 N 0.00 0.71 0.22 0.00 2.03 -1.85 -3.14 116.42 114.40 3grs h ASP 441 Ca -0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 3grs h ASP 441 Cb 0.21 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 3grs h ASP 441 CO 0.00 0.79 -0.79 -0.62 -1.03 0.00 0.00 179.24 177.59 3grs n GLU 442 N -4.21 0.01 0.03 4.15 -0.58 -1.01 -4.35 120.64 114.67 3grs n GLU 442 Ca 0.02 -0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.70 3grs n GLU 442 Cb 0.30 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.56 3grs n GLU 442 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3grs h MET 443 N 0.00 0.00 -0.42 3.49 4.05 -1.43 -3.39 114.93 117.23 3grs h MET 443 Ca 0.00 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 3grs h MET 443 Cb 0.51 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3grs h MET 443 CO 0.00 0.67 -0.07 1.25 0.23 0.00 0.00 176.91 178.99 3grs h LEU 444 N 0.00 0.79 -0.68 3.39 5.85 -1.75 -3.36 115.31 119.55 3grs h LEU 444 Ca -0.13 -0.35 0.13 0.00 0.84 0.00 0.00 57.88 58.37 3grs h LEU 444 Cb 1.80 -0.21 -0.13 0.00 0.37 0.00 0.00 40.66 42.49 3grs h LEU 444 CO 0.09 0.95 -0.25 -0.61 -0.34 0.00 0.00 178.44 178.28 3grs h GLN 445 N 0.62 -0.07 -0.14 1.25 5.75 -1.85 -1.06 115.11 119.60 3grs h GLN 445 Ca 0.11 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.47 3grs h GLN 445 Cb 0.59 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 3grs h GLN 445 CO 0.04 -0.04 -0.54 0.78 -2.65 0.00 0.00 178.83 176.41 3grs h GLY 446 N -0.07 0.46 2.00 2.39 0.00 -1.88 -2.32 103.07 103.65 3grs h GLY 446 Ca 0.30 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3grs h GLY 446 CO -0.73 0.48 -0.27 0.74 0.00 0.00 0.00 176.54 176.76 3grs h PHE 447 N 0.33 0.00 -0.41 5.60 -1.00 -1.53 -2.02 116.94 117.92 3grs h PHE 447 Ca 0.01 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 3grs h PHE 447 Cb 1.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.59 3grs h PHE 447 CO 0.03 0.27 0.06 0.00 -1.61 0.00 0.00 178.31 177.07 3grs h ALA 448 N 1.73 1.35 -0.15 2.45 0.00 -0.70 0.21 119.26 124.15 3grs h ALA 448 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3grs h ALA 448 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3grs h ALA 448 CO 0.04 0.46 0.05 0.28 0.00 0.00 0.00 179.25 180.07 3grs h VAL 449 N 0.60 1.19 -0.66 0.00 2.07 -0.92 -1.48 116.25 117.05 3grs h VAL 449 Ca 0.13 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3grs h VAL 449 Cb 0.28 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3grs h VAL 449 CO 0.00 0.17 0.33 0.00 0.02 0.00 0.00 177.57 178.10 3grs h ALA 450 N 0.86 0.84 -0.51 1.67 0.00 -0.92 -1.58 119.26 119.64 3grs h ALA 450 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3grs h ALA 450 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3grs h ALA 450 CO -0.00 0.39 0.08 0.28 0.00 0.00 0.00 179.25 180.00 3grs h VAL 451 N 0.90 1.25 -0.63 0.00 2.07 -0.54 -2.20 116.25 117.11 3grs h VAL 451 Ca 0.23 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.84 3grs h VAL 451 Cb 0.10 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3grs h VAL 451 CO -0.03 0.33 0.41 0.50 0.02 0.00 0.00 177.57 178.81 3grs h LYS 452 N 0.72 0.72 0.00 1.57 1.63 -0.77 -1.71 116.57 118.73 3grs h LYS 452 Ca 0.15 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3grs h LYS 452 Cb 0.40 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 3grs h LYS 452 CO 0.01 0.48 0.00 -1.33 -3.45 0.00 0.00 179.45 175.16 3grs n MET 453 N -4.46 0.05 -1.20 1.90 2.81 -0.64 -4.92 117.12 110.67 3grs n MET 453 Ca 0.08 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3grs n MET 453 Cb 0.13 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 3grs n MET 453 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3grs n GLY 454 N 1.32 1.05 3.75 3.03 0.00 -0.64 -5.03 105.19 108.68 3grs n GLY 454 Ca 0.08 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 3grs n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3grs s ALA 455 N -2.28 2.43 0.48 4.61 0.00 -0.87 -4.81 121.76 121.32 3grs s ALA 455 Ca 0.00 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.82 3grs s ALA 455 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3grs s ALA 455 CO 0.00 -1.32 0.41 0.95 0.00 0.00 0.00 175.76 175.80 3grs s THR 456 N -1.97 2.20 0.37 0.00 -4.23 -1.26 -0.72 115.64 110.03 3grs s THR 456 Ca 0.72 -1.40 0.10 0.00 -1.18 0.00 0.00 61.69 59.93 3grs s THR 456 Cb -0.26 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.11 3grs s THR 456 CO 0.38 0.00 1.87 0.50 -0.54 0.00 0.00 174.62 176.83 3grs h LYS 457 N 0.88 0.20 -0.52 3.99 1.63 -1.26 -1.71 116.57 119.78 3grs h LYS 457 Ca -0.39 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.34 3grs h LYS 457 Cb 1.28 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.86 3grs h LYS 457 CO 0.57 0.41 0.24 0.00 -3.45 0.00 0.00 179.45 177.22 3grs h ALA 458 N 1.60 1.46 -0.50 5.00 0.00 -1.85 0.12 119.26 125.10 3grs h ALA 458 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3grs h ALA 458 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3grs h ALA 458 CO 0.03 0.43 0.25 -0.44 0.00 0.00 0.00 179.25 179.52 3grs h ASP 459 N 0.73 0.64 0.00 0.00 3.32 -1.70 0.16 116.42 119.56 3grs h ASP 459 Ca 0.18 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3grs h ASP 459 Cb 0.09 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3grs h ASP 459 CO -0.02 0.58 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.82 3grs h PHE 460 N 0.66 -0.00 0.00 4.55 -1.00 -1.16 -3.06 116.94 116.92 3grs h PHE 460 Ca 0.17 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 3grs h PHE 460 Cb 0.10 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 3grs h PHE 460 CO -0.01 0.14 -0.08 -0.44 -1.61 0.00 0.00 178.31 176.31 3grs h ASP 461 N -0.14 0.00 -0.16 2.17 3.32 -0.77 -2.01 116.42 118.83 3grs h ASP 461 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3grs h ASP 461 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3grs h ASP 461 CO 0.00 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 178.19 3grs n ASN 462 N -4.19 1.23 -4.65 6.45 3.02 0.54 -4.79 115.26 112.87 3grs n ASN 462 Ca -0.03 -1.74 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 3grs n ASN 462 Cb 0.16 -0.10 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 3grs n ASN 462 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3grs s THR 463 N -1.79 5.32 0.29 3.41 2.01 -0.76 -5.05 115.64 119.06 3grs s THR 463 Ca 0.27 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.26 3grs s THR 463 Cb 0.14 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 3grs s THR 463 CO 0.21 0.30 1.41 -0.69 -0.69 0.00 0.00 174.62 175.16 3grs s VAL 464 N 1.27 2.59 0.70 3.82 1.01 -1.26 -4.98 120.40 123.55 3grs s VAL 464 Ca 0.10 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 3grs s VAL 464 Cb -0.14 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3grs s VAL 464 CO 0.06 0.10 1.06 0.00 0.00 0.00 0.00 175.10 176.33 3grs s ALA 465 N -0.49 2.62 -0.25 5.51 0.00 -1.26 -5.06 121.76 122.84 3grs s ALA 465 Ca 0.55 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 3grs s ALA 465 Cb -0.42 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3grs s ALA 465 CO 0.49 -1.26 -0.00 0.42 0.00 0.00 0.00 175.76 175.40 3grs s ILE 466 N -2.95 3.53 -0.01 0.00 1.01 -1.26 -5.09 121.20 116.42 3grs s ILE 466 Ca 0.59 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.69 3grs s ILE 466 Cb -0.15 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 3grs s ILE 466 CO 0.53 0.28 -0.21 -2.28 0.00 0.00 0.00 174.94 173.26 3grs s HIS 467 N 1.47 1.88 -0.25 3.97 2.46 -1.26 -3.39 115.29 120.16 3grs s HIS 467 Ca 0.04 -0.36 -0.12 0.00 0.47 0.00 0.00 55.06 55.09 3grs s HIS 467 Cb -0.16 -1.20 -0.05 0.00 -0.13 0.00 0.00 32.58 31.05 3grs s HIS 467 CO -0.01 -0.02 0.24 -1.25 -2.47 0.00 0.00 174.74 171.23 3grs s PRO 468 N -0.54 4.06 0.24 2.88 0.05 -1.26 -5.19 135.00 135.24 3grs s PRO 468 Ca 0.08 -0.14 -0.01 0.00 0.05 0.00 0.00 61.00 60.98 3grs s PRO 468 Cb -0.08 -3.58 -0.03 0.00 0.05 0.00 0.00 34.50 30.86 3grs s PRO 468 CO -0.01 -0.06 0.23 0.95 0.05 0.00 0.00 177.00 178.17 3grs s THR 469 N 1.40 0.00 0.04 1.26 -4.23 -1.22 -5.04 115.64 107.86 3grs s THR 469 Ca 0.11 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 3grs s THR 469 Cb -0.15 -2.47 -0.31 0.00 1.34 0.00 0.00 72.50 70.91 3grs s THR 469 CO 0.07 0.00 1.02 0.28 -0.54 0.00 0.00 174.62 175.45 3grs h SER 470 N 2.44 0.59 -0.22 3.99 0.02 -1.92 -3.36 113.55 115.09 3grs h SER 470 Ca -0.32 -0.67 0.06 0.00 -0.84 0.00 0.00 61.79 60.02 3grs h SER 470 Cb 1.25 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3grs h SER 470 CO 0.46 1.53 0.16 0.77 -1.14 0.00 0.00 176.83 178.61 3grs h SER 471 N 0.10 0.04 0.10 3.07 4.64 -1.94 -2.11 113.55 117.45 3grs h SER 471 Ca -0.21 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3grs h SER 471 Cb 2.06 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3grs h SER 471 CO 0.22 0.03 -0.02 1.05 -0.87 0.00 0.00 176.83 177.24 3grs h GLU 472 N 0.05 0.00 -0.13 4.77 4.11 -1.76 -2.33 114.58 119.28 3grs h GLU 472 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 3grs h GLU 472 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3grs h GLU 472 CO -0.01 0.02 0.05 0.93 0.07 0.00 0.00 179.01 180.08 3grs h GLU 473 N 0.00 0.18 0.00 1.06 4.39 -1.64 -2.15 114.58 116.43 3grs h GLU 473 Ca -0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3grs h GLU 473 Cb 0.08 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3grs h GLU 473 CO 0.00 0.15 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.84 3grs h LEU 474 N 0.18 0.00 -2.17 1.33 3.38 -1.63 -2.61 115.31 113.80 3grs h LEU 474 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3grs h LEU 474 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3grs h LEU 474 CO -0.01 0.09 0.00 1.33 0.09 0.00 0.00 178.44 179.95 3grs n VAL 475 N -3.21 0.33 -1.84 1.22 0.24 -0.82 -4.42 118.33 109.84 3grs n VAL 475 Ca 0.01 -0.66 0.05 0.00 -2.04 0.00 0.00 64.34 61.70 3grs n VAL 475 Cb 0.39 1.15 0.13 0.00 -1.47 0.00 0.00 33.84 34.04 3grs n VAL 475 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3grs n THR 476 N 1.37 1.37 -2.57 3.34 -2.24 -0.99 -4.31 114.28 110.25 3grs n THR 476 Ca 0.17 -2.27 -0.40 0.00 -2.27 0.00 0.00 64.05 59.28 3grs n THR 476 Cb 0.58 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 3grs n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3grs s LEU 477 N -2.02 4.58 0.00 3.22 1.43 -1.18 -5.01 118.68 119.70 3grs s LEU 477 Ca 0.34 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 3grs s LEU 477 Cb 0.34 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.94 3grs s LEU 477 CO -0.08 -0.04 0.00 0.54 0.23 0.00 0.00 176.35 176.99