#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aaq s ALA 19 N 0.00 2.51 -0.01 2.33 0.00 -1.14 -4.85 121.76 120.60 2aaq s ALA 19 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.29 2aaq s ALA 19 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2aaq s ALA 19 CO 0.00 -1.32 -0.11 -1.54 0.00 0.00 0.00 175.76 172.79 2aaq s SER 20 N -3.21 1.33 0.26 0.00 1.04 -1.26 -1.58 113.70 110.27 2aaq s SER 20 Ca 0.62 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.86 2aaq s SER 20 Cb -0.17 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.71 2aaq s SER 20 CO 0.49 0.13 0.08 -0.31 0.98 0.00 0.00 173.24 174.61 2aaq s TYR 21 N -0.17 1.56 0.07 5.02 1.51 -0.44 -4.98 117.35 119.92 2aaq s TYR 21 Ca 0.03 -1.14 -0.09 0.00 -1.01 0.00 0.00 57.07 54.85 2aaq s TYR 21 Cb -0.05 -0.92 -0.28 0.00 -0.11 0.00 0.00 41.96 40.59 2aaq s TYR 21 CO -0.00 -0.29 1.12 -0.44 -1.11 0.00 0.00 175.55 174.82 2aaq h ASP 22 N 2.38 0.64 -3.35 2.29 3.45 -1.80 -3.38 116.42 116.65 2aaq h ASP 22 Ca -0.38 -0.64 -0.39 0.00 0.43 0.00 0.00 57.03 56.04 2aaq h ASP 22 Cb 1.24 -0.20 -0.37 0.00 -0.56 0.00 0.00 39.33 39.44 2aaq h ASP 22 CO 0.62 1.49 -0.75 -0.47 -1.57 0.00 0.00 179.24 178.55 2aaq s TYR 23 N -2.77 0.42 -0.19 4.55 5.04 -1.21 -3.83 117.35 119.35 2aaq s TYR 23 Ca -0.06 -0.01 -0.01 0.00 -2.44 0.00 0.00 57.07 54.54 2aaq s TYR 23 Cb 0.06 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.78 2aaq s TYR 23 CO 0.91 -0.23 -0.14 -1.17 -1.34 0.00 0.00 175.55 173.59 2aaq s LEU 24 N 1.67 2.45 -0.13 6.97 2.96 -0.91 -1.23 118.68 130.45 2aaq s LEU 24 Ca -0.00 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2aaq s LEU 24 Cb -0.13 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2aaq s LEU 24 CO -0.03 -0.00 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.25 2aaq s VAL 25 N 1.34 3.80 -0.40 1.68 1.01 -0.74 -0.39 120.40 126.70 2aaq s VAL 25 Ca 0.05 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2aaq s VAL 25 Cb -0.14 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.66 2aaq s VAL 25 CO -0.09 0.52 0.24 -0.63 0.00 0.00 0.00 175.10 175.14 2aaq s ILE 26 N 0.07 4.48 0.00 2.22 1.01 0.20 -0.08 121.20 129.10 2aaq s ILE 26 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.56 2aaq s ILE 26 Cb -0.14 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2aaq s ILE 26 CO 0.03 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.22 2aaq n GLY 27 N 4.98 2.47 2.73 6.18 0.00 0.40 0.74 105.19 122.70 2aaq n GLY 27 Ca -0.11 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 2aaq n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aaq n GLY 28 N 1.20 5.96 0.00 -0.02 0.00 -1.18 -4.24 105.19 106.90 2aaq n GLY 28 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.37 2aaq n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aaq n GLY 29 N -0.08 7.54 0.35 -0.02 0.00 -1.26 -0.72 105.19 110.99 2aaq n GLY 29 Ca 0.42 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 2aaq n GLY 29 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aaq n SER 30 N 0.00 -0.88 -0.03 1.61 2.88 -1.26 -0.68 113.62 115.27 2aaq n SER 30 Ca 0.00 1.57 -0.13 0.00 -1.33 0.00 0.00 58.87 58.98 2aaq n SER 30 Cb 0.00 -0.24 -0.09 0.00 -0.75 0.00 0.00 64.21 63.13 2aaq n SER 30 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2aaq h GLY 31 N 0.00 0.16 0.64 0.46 0.00 -1.87 -2.45 103.07 100.02 2aaq h GLY 31 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2aaq h GLY 31 CO -0.78 0.17 -0.41 -1.33 0.00 0.00 0.00 176.54 174.20 2aaq h GLY 32 N -0.35 -1.00 0.60 4.60 0.00 -1.66 0.18 103.07 105.43 2aaq h GLY 32 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 47.33 47.85 2aaq h GLY 32 CO 0.02 -0.34 0.08 1.41 0.00 0.00 0.00 176.54 177.71 2aaq h LEU 33 N -0.87 0.04 0.30 3.11 3.38 -1.03 0.21 115.31 120.45 2aaq h LEU 33 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2aaq h LEU 33 Cb 0.76 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2aaq h LEU 33 CO -0.03 0.06 -0.52 0.00 0.09 0.00 0.00 178.44 178.04 2aaq h ALA 34 N 1.26 -1.06 -0.35 1.53 0.00 -1.23 0.21 119.26 119.61 2aaq h ALA 34 Ca 0.17 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2aaq h ALA 34 Cb 0.18 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2aaq h ALA 34 CO -0.21 -1.15 0.07 1.03 0.00 0.00 0.00 179.25 178.99 2aaq h SER 35 N -0.87 0.02 0.07 0.00 0.87 -0.62 -1.58 113.55 111.44 2aaq h SER 35 Ca -0.03 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2aaq h SER 35 Cb 0.82 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2aaq h SER 35 CO -0.18 0.05 -0.05 0.00 -0.53 0.00 0.00 176.83 176.11 2aaq h ALA 36 N 1.26 -0.11 -0.76 6.23 0.00 -0.31 -2.09 119.26 123.48 2aaq h ALA 36 Ca 0.17 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2aaq h ALA 36 Cb 0.18 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2aaq h ALA 36 CO -0.21 -0.57 0.42 -0.09 0.00 0.00 0.00 179.25 178.80 2aaq h ARG 37 N -0.13 0.71 -0.18 0.00 2.43 -0.27 -0.43 114.38 116.52 2aaq h ARG 37 Ca 0.00 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2aaq h ARG 37 Cb 0.12 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2aaq h ARG 37 CO -0.01 0.47 -0.15 -0.09 -1.51 0.00 0.00 179.97 178.68 2aaq h ARG 38 N 0.73 0.28 0.50 0.20 9.65 -1.06 -2.06 114.38 122.62 2aaq h ARG 38 Ca 0.36 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2aaq h ARG 38 Cb 0.30 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2aaq h ARG 38 CO -0.23 0.44 -0.24 0.00 2.80 0.00 0.00 179.97 182.74 2aaq h ALA 39 N 1.59 -0.67 -0.49 2.80 0.00 -0.40 -2.05 119.26 120.04 2aaq h ALA 39 Ca 0.05 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2aaq h ALA 39 Cb 0.42 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2aaq h ALA 39 CO 0.03 -0.76 0.34 0.00 0.00 0.00 0.00 179.25 178.86 2aaq h ALA 40 N -0.54 2.29 0.00 0.00 0.00 -1.23 1.20 119.26 120.98 2aaq h ALA 40 Ca -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2aaq h ALA 40 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2aaq h ALA 40 CO 0.11 -0.42 -0.20 1.49 0.00 0.00 0.00 179.25 180.23 2aaq h GLU 41 N 0.12 0.00 -0.01 0.00 4.81 -1.06 -0.94 114.58 117.50 2aaq h GLU 41 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2aaq h GLU 41 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2aaq h GLU 41 CO -0.03 0.20 -0.18 1.28 -0.73 0.00 0.00 179.01 179.55 2aaq n LEU 42 N -3.86 1.60 0.00 1.64 4.32 0.40 -4.96 117.00 116.14 2aaq n LEU 42 Ca -0.02 -0.52 0.00 0.00 -0.02 0.00 0.00 56.01 55.45 2aaq n LEU 42 Cb 0.29 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 2aaq n LEU 42 CO 0.34 0.28 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 2aaq n GLY 43 N 1.30 3.18 3.18 -0.72 0.00 -0.32 -4.98 105.19 106.82 2aaq n GLY 43 Ca 0.14 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 2aaq n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aaq n ALA 44 N 0.00 -2.83 -3.35 4.61 0.00 -1.02 -4.77 120.51 113.14 2aaq n ALA 44 Ca 0.00 0.29 -0.46 0.00 0.00 0.00 0.00 53.44 53.27 2aaq n ALA 44 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 2aaq n ALA 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2aaq s ARG 45 N -0.95 3.41 0.48 0.00 1.81 -1.26 -3.45 118.95 118.99 2aaq s ARG 45 Ca 0.59 -2.31 -0.06 0.00 -1.72 0.00 0.00 55.73 52.23 2aaq s ARG 45 Cb -0.77 -4.36 -0.04 0.00 -0.45 0.00 0.00 34.95 29.34 2aaq s ARG 45 CO 0.56 -1.29 0.80 0.00 -0.68 0.00 0.00 175.30 174.69 2aaq s ALA 46 N 0.46 3.37 -0.26 2.13 0.00 -1.26 -2.56 121.76 123.64 2aaq s ALA 46 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2aaq s ALA 46 Cb -0.15 -2.64 0.13 0.00 0.00 0.00 0.00 23.12 20.47 2aaq s ALA 46 CO -0.06 -0.32 0.34 0.00 0.00 0.00 0.00 175.76 175.72 2aaq s ALA 47 N -2.72 -0.83 0.11 0.00 0.00 -0.36 -3.16 121.76 114.79 2aaq s ALA 47 Ca 0.48 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.64 2aaq s ALA 47 Cb -0.10 -1.76 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 2aaq s ALA 47 CO 0.44 -1.49 0.47 0.54 0.00 0.00 0.00 175.76 175.71 2aaq s VAL 48 N 2.46 4.99 -0.18 0.00 0.11 -0.75 -1.79 120.40 125.24 2aaq s VAL 48 Ca 0.10 0.63 -0.03 0.00 -2.93 0.00 0.00 61.98 59.75 2aaq s VAL 48 Cb -0.14 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.01 2aaq s VAL 48 CO -0.23 0.27 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.05 2aaq s VAL 49 N -1.42 3.36 -0.04 2.04 1.01 0.88 -0.38 120.40 125.85 2aaq s VAL 49 Ca 0.35 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2aaq s VAL 49 Cb -0.14 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2aaq s VAL 49 CO 0.18 0.47 -0.14 -0.70 0.00 0.00 0.00 175.10 174.91 2aaq s GLU 50 N 0.93 1.47 0.06 2.72 2.56 0.29 -0.45 118.70 126.26 2aaq s GLU 50 Ca -0.01 -0.48 0.22 0.00 0.00 0.00 0.00 54.97 54.70 2aaq s GLU 50 Cb -0.15 -1.30 -0.15 0.00 2.00 0.00 0.00 34.13 34.53 2aaq s GLU 50 CO 0.00 0.19 0.78 -1.13 -0.56 0.00 0.00 175.26 174.54 2aaq n SER 51 N 3.23 0.43 0.00 -1.70 3.41 -1.24 -0.72 113.62 117.02 2aaq n SER 51 Ca -0.18 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2aaq n SER 51 Cb 0.53 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 2aaq n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2aaq n HIS 52 N -2.28 0.00 -2.82 7.33 8.25 -1.26 -4.56 115.22 119.89 2aaq n HIS 52 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2aaq n HIS 52 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 2aaq n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2aaq s LYS 53 N 4.42 4.62 0.13 -0.41 -0.14 -1.26 -5.01 119.74 122.10 2aaq s LYS 53 Ca 0.00 1.31 -0.31 0.00 -1.36 0.00 0.00 55.97 55.61 2aaq s LYS 53 Cb 0.00 -3.37 -0.09 0.00 -1.68 0.00 0.00 37.83 32.69 2aaq s LYS 53 CO 0.00 0.23 1.46 -0.51 -0.76 0.00 0.00 175.35 175.76 2aaq s LEU 54 N 0.01 4.37 0.00 3.17 1.43 -1.26 -3.09 118.68 123.32 2aaq s LEU 54 Ca 0.44 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 2aaq s LEU 54 Cb -0.22 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2aaq s LEU 54 CO 0.27 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.75 2aaq n GLY 55 N 3.59 1.38 7.00 -3.19 0.00 0.10 -4.96 105.19 109.10 2aaq n GLY 55 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2aaq n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aaq n GLY 56 N 0.00 0.70 0.29 -0.02 0.00 -1.18 -2.94 105.19 102.04 2aaq n GLY 56 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.27 2aaq n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2aaq h THR 57 N 0.00 0.73 0.00 2.61 2.02 -1.94 -3.25 112.91 113.08 2aaq h THR 57 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2aaq h THR 57 Cb 0.00 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2aaq h THR 57 CO 0.00 0.10 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2aaq h VAL 59 N 0.00 0.00 -0.18 0.00 -1.51 -1.57 -2.47 116.25 110.52 2aaq h VAL 59 Ca 0.00 -0.11 0.03 0.00 -1.23 0.00 0.00 66.70 65.39 2aaq h VAL 59 Cb 0.00 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.13 2aaq h VAL 59 CO 0.00 0.00 -0.01 0.78 -1.23 0.00 0.00 177.57 177.11 2aaq h ASN 60 N -0.70 -0.08 -0.04 4.19 2.35 -1.65 -3.35 115.58 116.29 2aaq h ASN 60 Ca -0.06 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 2aaq h ASN 60 Cb 0.45 0.07 -0.29 0.00 0.05 0.00 0.00 38.32 38.61 2aaq h ASN 60 CO 0.10 -0.02 -0.90 1.33 -1.65 0.00 0.00 177.43 176.30 2aaq n VAL 61 N -5.14 0.72 0.00 2.81 0.24 -0.97 -4.90 118.33 111.10 2aaq n VAL 61 Ca -0.03 -1.78 0.00 0.00 -2.04 0.00 0.00 64.34 60.49 2aaq n VAL 61 Cb 0.10 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 2aaq n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aaq n GLY 62 N -0.02 2.63 0.00 7.63 0.00 -0.02 -4.83 105.19 110.58 2aaq n GLY 62 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2aaq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aaq h VAL 64 N 0.00 0.00 -1.14 0.00 2.07 -1.83 0.26 116.25 115.61 2aaq h VAL 64 Ca 0.00 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.85 2aaq h VAL 64 Cb 0.00 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 2aaq h VAL 64 CO 0.00 0.00 0.84 1.55 0.02 0.00 0.00 177.57 179.98 2aaq h PRO 65 N -0.70 0.00 -0.05 1.57 0.13 -1.78 0.52 132.00 131.69 2aaq h PRO 65 Ca -0.05 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.89 2aaq h PRO 65 Cb 0.61 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.75 2aaq h PRO 65 CO -0.03 0.00 -0.72 -0.22 -0.23 0.00 0.00 178.00 176.80 2aaq h LYS 66 N 0.00 0.56 -0.51 0.86 3.11 -0.20 -2.63 116.57 117.77 2aaq h LYS 66 Ca 0.54 -0.55 -0.06 0.00 -2.81 0.00 0.00 60.65 57.77 2aaq h LYS 66 Cb 2.22 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 33.57 2aaq h LYS 66 CO -0.01 1.17 0.07 -0.22 -2.81 0.00 0.00 179.45 177.65 2aaq h LYS 67 N 0.16 0.85 -0.15 1.90 1.63 0.34 0.19 116.57 121.50 2aaq h LYS 67 Ca -0.08 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.53 2aaq h LYS 67 Cb 1.39 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.88 2aaq h LYS 67 CO 0.14 0.85 -0.09 0.28 -3.45 0.00 0.00 179.45 177.18 2aaq h VAL 68 N 0.72 0.74 0.00 2.00 2.07 -0.88 0.53 116.25 121.43 2aaq h VAL 68 Ca 0.15 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 2aaq h VAL 68 Cb 0.42 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2aaq h VAL 68 CO 0.01 0.00 -0.14 0.24 0.02 0.00 0.00 177.57 177.70 2aaq h MET 69 N -0.08 0.00 -0.14 1.57 2.86 -1.18 -0.10 114.93 117.86 2aaq h MET 69 Ca 0.09 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 2aaq h MET 69 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2aaq h MET 69 CO -0.20 0.14 -0.44 2.35 1.06 0.00 0.00 176.91 179.82 2aaq h TRP 70 N 0.00 0.72 -0.49 -0.22 7.01 0.13 -2.65 115.95 120.46 2aaq h TRP 70 Ca -0.00 -0.29 0.02 0.00 2.11 0.00 0.00 58.89 60.72 2aaq h TRP 70 Cb 0.25 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 2aaq h TRP 70 CO 0.00 1.05 0.30 -0.91 -2.79 0.00 0.00 178.44 176.10 2aaq h ASN 71 N 0.18 0.51 -0.98 2.65 2.35 0.97 0.44 115.58 121.70 2aaq h ASN 71 Ca -0.01 -0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.80 2aaq h ASN 71 Cb 1.06 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 39.25 2aaq h ASN 71 CO 0.09 0.36 0.63 0.74 -1.65 0.00 0.00 177.43 177.61 2aaq h THR 72 N 0.61 1.08 -0.35 2.81 2.02 -1.07 0.13 112.91 118.15 2aaq h THR 72 Ca 0.19 -0.39 -0.16 0.00 0.77 0.00 0.00 66.41 66.82 2aaq h THR 72 Cb -0.02 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.23 2aaq h THR 72 CO -0.07 0.21 -0.43 0.00 0.37 0.00 0.00 175.52 175.60 2aaq h ALA 73 N 1.47 0.58 -0.56 6.16 0.00 -0.94 -1.57 119.26 124.40 2aaq h ALA 73 Ca 0.42 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2aaq h ALA 73 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2aaq h ALA 73 CO -0.17 0.68 0.17 0.28 0.00 0.00 0.00 179.25 180.21 2aaq h VAL 74 N 0.71 1.24 -0.16 0.00 2.07 -0.01 -1.66 116.25 118.44 2aaq h VAL 74 Ca 0.05 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.80 2aaq h VAL 74 Cb 1.02 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2aaq h VAL 74 CO 0.10 0.30 -0.10 0.45 0.02 0.00 0.00 177.57 178.34 2aaq h HIS 75 N 0.79 -0.24 -0.97 1.57 3.86 -0.63 0.01 115.15 119.54 2aaq h HIS 75 Ca 0.18 0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.57 2aaq h HIS 75 Cb 0.29 0.13 -0.09 0.00 1.06 0.00 0.00 27.41 28.80 2aaq h HIS 75 CO 0.02 -0.15 0.61 1.03 0.86 0.00 0.00 177.93 180.29 2aaq h SER 76 N -0.10 0.76 0.14 2.45 0.87 -0.85 -0.79 113.55 116.05 2aaq h SER 76 Ca 0.09 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2aaq h SER 76 Cb 0.24 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2aaq h SER 76 CO -0.22 0.35 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.03 2aaq h GLU 77 N 0.79 -0.19 -0.51 2.24 4.39 -0.29 -2.90 114.58 118.10 2aaq h GLU 77 Ca 0.51 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.37 2aaq h GLU 77 Cb 0.76 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2aaq h GLU 77 CO -0.28 0.22 0.39 0.74 -1.16 0.00 0.00 179.01 178.92 2aaq h PHE 78 N -0.67 0.00 0.00 4.33 0.04 -0.47 0.31 116.94 120.48 2aaq h PHE 78 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2aaq h PHE 78 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2aaq h PHE 78 CO 0.07 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 176.45 2aaq n MET 79 N -4.27 0.05 0.00 1.51 2.81 -0.35 -0.62 117.12 116.25 2aaq n MET 79 Ca 0.09 0.16 0.14 0.00 -1.81 0.00 0.00 57.70 56.29 2aaq n MET 79 Cb 0.61 -1.50 0.60 0.00 -0.71 0.00 0.00 33.22 32.22 2aaq n MET 79 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2aaq n HIS 80 N -1.46 0.00 0.09 2.03 8.25 0.11 -3.45 115.22 120.79 2aaq n HIS 80 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 2aaq n HIS 80 Cb 0.21 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 2aaq n HIS 80 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2aaq n ASP 81 N -0.46 1.72 -0.32 0.41 10.43 0.21 -4.71 116.55 123.82 2aaq n ASP 81 Ca 0.18 -0.13 -0.03 0.00 2.57 0.00 0.00 54.79 57.38 2aaq n ASP 81 Cb 0.29 1.51 0.01 0.00 1.84 0.00 0.00 41.12 44.77 2aaq n ASP 81 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 2aaq n HIS 82 N -1.86 -0.06 -0.03 1.24 -0.00 -1.10 -0.10 115.22 113.30 2aaq n HIS 82 Ca -0.02 1.02 -0.11 0.00 0.46 0.00 0.00 57.72 59.08 2aaq n HIS 82 Cb 0.33 -0.75 -0.04 0.00 -0.12 0.00 0.00 29.99 29.40 2aaq n HIS 82 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aaq h ALA 83 N 0.98 0.21 -0.98 1.57 0.00 -1.82 -1.84 119.26 117.37 2aaq h ALA 83 Ca 0.25 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.33 2aaq h ALA 83 Cb 0.46 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 2aaq h ALA 83 CO -0.81 -0.27 0.62 -0.44 0.00 0.00 0.00 179.25 178.34 2aaq h ASP 84 N 0.19 0.65 -0.26 0.00 3.45 -0.78 -0.43 116.42 119.24 2aaq h ASP 84 Ca 0.06 0.08 -0.12 0.00 0.43 0.00 0.00 57.03 57.48 2aaq h ASP 84 Cb 0.03 -0.03 -0.07 0.00 -0.56 0.00 0.00 39.33 38.70 2aaq h ASP 84 CO -0.01 0.22 0.15 -1.22 -1.57 0.00 0.00 179.24 176.81 2aaq n TYR 85 N -4.68 0.82 -1.00 4.55 4.01 -0.24 -4.83 117.16 115.78 2aaq n TYR 85 Ca 0.23 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 2aaq n TYR 85 Cb 0.65 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2aaq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aaq n GLY 86 N 0.06 0.51 3.76 2.72 0.00 -0.17 -5.03 105.19 107.04 2aaq n GLY 86 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2aaq n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aaq s PHE 87 N -2.05 3.03 0.37 1.61 0.08 -0.75 -5.01 117.98 115.27 2aaq s PHE 87 Ca 0.00 -0.08 -0.26 0.00 0.12 0.00 0.00 56.93 56.70 2aaq s PHE 87 Cb 0.00 -1.43 -0.09 0.00 -0.57 0.00 0.00 43.02 40.93 2aaq s PHE 87 CO 0.00 0.53 1.16 -1.25 -0.10 0.00 0.00 175.22 175.56 2aaq s PRO 88 N -3.28 4.18 0.32 0.24 0.04 -1.26 -3.48 135.00 131.77 2aaq s PRO 88 Ca 0.31 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 62.95 2aaq s PRO 88 Cb -0.09 -2.78 -0.16 0.00 0.04 0.00 0.00 34.50 31.51 2aaq s PRO 88 CO 0.22 -0.21 0.28 0.43 0.04 0.00 0.00 177.00 177.77 2aaq n SER 89 N 0.30 -2.11 -4.57 6.66 7.64 -1.26 -4.66 113.62 115.63 2aaq n SER 89 Ca 0.03 0.94 -0.34 0.00 1.01 0.00 0.00 58.87 60.51 2aaq n SER 89 Cb 0.46 -0.92 -0.11 0.00 -1.01 0.00 0.00 64.21 62.63 2aaq n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aaq n GLU 91 N 3.16 0.00 0.00 0.00 4.71 -1.26 -5.00 120.64 122.26 2aaq n GLU 91 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2aaq n GLU 91 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 2aaq n GLU 91 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2aaq n GLY 92 N 0.00 0.82 0.32 0.62 0.00 -1.26 -5.04 105.19 100.65 2aaq n GLY 92 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2aaq n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aaq h LYS 93 N 0.00 -0.07 -4.38 1.61 1.57 -2.01 -3.48 116.57 109.81 2aaq h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aaq h LYS 93 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2aaq h LYS 93 CO 0.00 -0.04 -0.96 0.34 -0.57 0.00 0.00 179.45 178.21 2aaq n PHE 94 N -5.47 -5.02 -3.81 -1.35 7.35 -1.26 -4.98 117.46 102.92 2aaq n PHE 94 Ca 0.08 3.02 -0.36 0.00 -0.76 0.00 0.00 57.45 59.43 2aaq n PHE 94 Cb 0.38 -3.73 -0.12 0.00 0.35 0.00 0.00 39.48 36.36 2aaq n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2aaq s ASN 95 N -0.52 5.16 0.20 -2.13 3.84 -1.26 -4.98 114.94 115.25 2aaq s ASN 95 Ca 0.00 -1.76 -0.11 0.00 0.21 0.00 0.00 52.86 51.20 2aaq s ASN 95 Cb 0.00 -1.80 0.24 0.00 -0.55 0.00 0.00 41.25 39.14 2aaq s ASN 95 CO 0.00 -0.45 1.74 -0.25 -2.79 0.00 0.00 177.10 175.35 2aaq h TRP 96 N 8.04 0.32 -0.69 0.43 2.91 -1.94 -1.68 115.95 123.35 2aaq h TRP 96 Ca -0.16 0.03 0.17 0.00 1.13 0.00 0.00 58.89 60.06 2aaq h TRP 96 Cb 1.05 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.61 2aaq h TRP 96 CO 0.57 0.07 0.48 -0.09 -1.03 0.00 0.00 178.44 178.44 2aaq h ARG 97 N 0.35 0.21 0.18 2.65 2.43 -1.94 0.01 114.38 118.27 2aaq h ARG 97 Ca 0.28 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2aaq h ARG 97 Cb 0.34 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2aaq h ARG 97 CO -0.30 0.14 -0.09 0.28 -1.51 0.00 0.00 179.97 178.49 2aaq h VAL 98 N 0.21 0.92 -0.62 0.20 2.07 -1.67 -1.90 116.25 115.46 2aaq h VAL 98 Ca 0.34 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 2aaq h VAL 98 Cb 1.02 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2aaq h VAL 98 CO -0.07 0.14 0.04 0.40 0.02 0.00 0.00 177.57 178.10 2aaq h ILE 99 N -0.54 1.26 -0.02 4.57 1.08 -1.37 -2.69 117.51 119.80 2aaq h ILE 99 Ca -0.03 -1.10 0.03 0.00 -0.39 0.00 0.00 64.86 63.38 2aaq h ILE 99 Cb 0.41 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 2aaq h ILE 99 CO 0.04 0.41 -0.25 0.50 -0.69 0.00 0.00 178.15 178.16 2aaq h LYS 100 N 0.98 -0.36 -0.42 2.37 1.63 -1.02 0.40 116.57 120.15 2aaq h LYS 100 Ca 0.18 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.09 2aaq h LYS 100 Cb 0.51 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.13 2aaq h LYS 100 CO 0.02 -0.24 -0.17 0.93 -3.45 0.00 0.00 179.45 176.54 2aaq h GLU 101 N -0.37 -0.09 -0.39 1.90 5.08 -1.22 0.12 114.58 119.61 2aaq h GLU 101 Ca 0.07 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2aaq h GLU 101 Cb 0.47 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2aaq h GLU 101 CO -0.24 -0.06 0.20 0.87 -1.00 0.00 0.00 179.01 178.78 2aaq h LYS 102 N -0.09 0.56 -0.28 2.33 1.57 -1.05 -0.98 116.57 118.63 2aaq h LYS 102 Ca 0.21 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 2aaq h LYS 102 Cb 0.40 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 2aaq h LYS 102 CO -0.48 0.48 -0.12 -0.09 -0.57 0.00 0.00 179.45 178.68 2aaq h ARG 103 N 0.50 -0.07 -0.91 3.15 2.43 0.76 0.38 114.38 120.62 2aaq h ARG 103 Ca 0.14 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2aaq h ARG 103 Cb 0.10 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 2aaq h ARG 103 CO -0.02 -0.04 0.57 -0.44 -1.51 0.00 0.00 179.97 178.53 2aaq h ASP 104 N -0.07 0.92 0.96 -3.80 3.45 -0.51 0.29 116.42 117.66 2aaq h ASP 104 Ca 0.14 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.57 2aaq h ASP 104 Cb 0.29 -0.19 0.01 0.00 -0.56 0.00 0.00 39.33 38.88 2aaq h ASP 104 CO -0.33 0.60 -0.46 0.00 -1.57 0.00 0.00 179.24 177.48 2aaq h ALA 105 N 1.41 -1.29 -0.67 3.45 0.00 0.36 -1.87 119.26 120.64 2aaq h ALA 105 Ca 0.39 -0.28 0.14 0.00 0.00 0.00 0.00 54.91 55.16 2aaq h ALA 105 Cb 0.13 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 2aaq h ALA 105 CO -0.16 -1.21 -0.04 -0.92 0.00 0.00 0.00 179.25 176.92 2aaq h TYR 106 N -1.31 -0.12 0.04 0.00 3.20 0.05 0.32 116.97 119.15 2aaq h TYR 106 Ca -0.13 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 2aaq h TYR 106 Cb 0.99 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 2aaq h TYR 106 CO -0.00 -0.22 -0.06 0.28 -1.64 0.00 0.00 178.16 176.52 2aaq h VAL 107 N 0.08 0.00 -0.90 1.81 2.07 -0.79 -0.74 116.25 117.80 2aaq h VAL 107 Ca 0.35 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.09 2aaq h VAL 107 Cb 0.58 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2aaq h VAL 107 CO -0.61 0.00 0.60 0.77 0.02 0.00 0.00 177.57 178.35 2aaq h SER 108 N -0.10 0.30 -0.50 0.57 4.64 -0.91 0.72 113.55 118.27 2aaq h SER 108 Ca -0.00 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2aaq h SER 108 Cb 0.10 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 2aaq h SER 108 CO -0.02 0.12 0.30 -0.09 -0.87 0.00 0.00 176.83 176.27 2aaq h ARG 109 N 0.30 0.59 -0.04 4.77 2.43 0.28 0.27 114.38 122.98 2aaq h ARG 109 Ca 0.46 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.54 2aaq h ARG 109 Cb 1.31 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2aaq h ARG 109 CO -0.14 0.39 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.46 2aaq h LEU 110 N 0.61 0.23 -1.83 3.80 3.38 0.71 -3.12 115.31 119.09 2aaq h LEU 110 Ca 0.20 -0.66 0.33 0.00 0.09 0.00 0.00 57.88 57.83 2aaq h LEU 110 Cb -0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2aaq h LEU 110 CO -0.08 0.85 0.82 -1.13 0.09 0.00 0.00 178.44 178.99 2aaq h ASN 111 N -0.39 0.11 -0.02 -0.43 -1.24 0.75 0.44 115.58 114.80 2aaq h ASN 111 Ca -0.01 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 2aaq h ASN 111 Cb 0.85 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.91 2aaq h ASN 111 CO 0.04 0.01 -0.02 0.00 -1.29 0.00 0.00 177.43 176.17 2aaq h ALA 112 N 1.46 0.04 -0.28 1.57 0.00 -0.41 -2.11 119.26 119.54 2aaq h ALA 112 Ca 0.59 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2aaq h ALA 112 Cb 2.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 2aaq h ALA 112 CO -0.09 -0.21 0.14 0.82 0.00 0.00 0.00 179.25 179.90 2aaq h ILE 113 N -0.39 0.99 -0.22 0.00 2.04 -0.30 -1.38 117.51 118.26 2aaq h ILE 113 Ca 0.00 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2aaq h ILE 113 Cb 0.49 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2aaq h ILE 113 CO 0.01 0.05 -0.21 0.22 0.00 0.00 0.00 178.15 178.22 2aaq h TYR 114 N 0.29 -0.65 -0.74 1.37 3.20 -0.57 -1.00 116.97 118.87 2aaq h TYR 114 Ca 0.11 0.04 0.17 0.00 3.14 0.00 0.00 58.73 62.19 2aaq h TYR 114 Cb 0.04 0.31 -0.13 0.00 1.54 0.00 0.00 36.73 38.49 2aaq h TYR 114 CO -0.10 -0.17 -0.02 0.37 -1.64 0.00 0.00 178.16 176.61 2aaq h GLN 115 N -0.10 0.09 -0.50 1.82 5.75 -1.09 -0.28 115.11 120.79 2aaq h GLN 115 Ca 0.04 -0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.63 2aaq h GLN 115 Cb 0.20 -0.02 -0.10 0.00 1.07 0.00 0.00 27.48 28.63 2aaq h GLN 115 CO -0.26 0.06 -0.18 -0.97 -2.65 0.00 0.00 178.83 174.83 2aaq h ASN 116 N 0.09 -0.65 0.57 -0.69 -0.00 -0.07 0.16 115.58 114.99 2aaq h ASN 116 Ca 0.40 0.17 -0.03 0.00 -0.00 0.00 0.00 56.30 56.84 2aaq h ASN 116 Cb 0.69 0.38 0.01 0.00 -0.00 0.00 0.00 38.32 39.39 2aaq h ASN 116 CO -0.66 -0.22 -0.27 0.78 -0.00 0.00 0.00 177.43 177.05 2aaq h ASN 117 N -0.07 -0.65 -1.00 1.15 -0.26 -0.29 -0.73 115.58 113.74 2aaq h ASN 117 Ca 0.24 0.01 0.22 0.00 -0.56 0.00 0.00 56.30 56.21 2aaq h ASN 117 Cb 0.44 0.17 -0.10 0.00 -1.06 0.00 0.00 38.32 37.77 2aaq h ASN 117 CO -0.56 -0.44 0.62 -0.07 -1.06 0.00 0.00 177.43 175.93 2aaq h LEU 118 N -0.80 0.62 0.20 1.61 3.38 -0.90 -0.49 115.31 118.93 2aaq h LEU 118 Ca -0.08 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2aaq h LEU 118 Cb 0.60 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2aaq h LEU 118 CO 0.13 0.18 -0.09 0.74 0.09 0.00 0.00 178.44 179.49 2aaq h THR 119 N 0.58 0.89 0.00 0.22 2.02 -0.18 -2.57 112.91 113.86 2aaq h THR 119 Ca 0.58 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.30 2aaq h THR 119 Cb 1.15 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2aaq h THR 119 CO -0.34 0.10 0.00 2.29 0.37 0.00 0.00 175.52 177.94 2aaq n LYS 120 N -5.10 0.60 -0.45 6.66 2.85 -0.31 -2.03 118.16 120.38 2aaq n LYS 120 Ca -0.09 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.27 2aaq n LYS 120 Cb 0.20 -1.28 0.32 0.00 -0.65 0.00 0.00 35.03 33.62 2aaq n LYS 120 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2aaq n SER 121 N -0.78 4.06 -2.87 -5.58 3.41 -0.51 -4.94 113.62 106.41 2aaq n SER 121 Ca 0.08 -2.17 -0.11 0.00 -0.26 0.00 0.00 58.87 56.41 2aaq n SER 121 Cb 0.04 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 63.47 2aaq n SER 121 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2aaq n HIS 122 N 1.35 -1.74 -3.35 7.33 8.25 -0.86 -4.90 115.22 121.31 2aaq n HIS 122 Ca 0.24 0.16 -0.38 0.00 -0.26 0.00 0.00 57.72 57.47 2aaq n HIS 122 Cb 0.70 -1.76 -0.07 0.00 1.12 0.00 0.00 29.99 29.98 2aaq n HIS 122 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2aaq s ILE 123 N -2.42 5.19 0.15 1.59 1.01 -1.25 -4.84 121.20 120.63 2aaq s ILE 123 Ca 0.16 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.35 2aaq s ILE 123 Cb -0.09 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 2aaq s ILE 123 CO 0.20 0.28 1.07 -1.61 0.00 0.00 0.00 174.94 174.88 2aaq s GLU 124 N 1.03 4.61 -0.34 2.79 2.02 -1.19 -4.90 118.70 122.72 2aaq s GLU 124 Ca 0.22 1.65 -0.09 0.00 0.02 0.00 0.00 54.97 56.77 2aaq s GLU 124 Cb -0.15 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.80 2aaq s GLU 124 CO 0.09 0.10 0.15 0.42 0.02 0.00 0.00 175.26 176.03 2aaq s ILE 125 N -0.10 4.24 -0.18 -1.63 1.09 -1.26 -1.81 121.20 121.56 2aaq s ILE 125 Ca 0.49 -0.85 -0.21 0.00 -1.10 0.00 0.00 60.65 58.98 2aaq s ILE 125 Cb -0.28 -3.32 -0.03 0.00 -1.06 0.00 0.00 42.46 37.78 2aaq s ILE 125 CO 0.33 -0.13 0.63 -0.63 -0.10 0.00 0.00 174.94 175.05 2aaq s ILE 126 N 1.51 5.03 0.20 2.92 1.01 0.49 -4.96 121.20 127.39 2aaq s ILE 126 Ca 0.01 1.21 -0.15 0.00 0.00 0.00 0.00 60.65 61.72 2aaq s ILE 126 Cb -0.19 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 2aaq s ILE 126 CO 0.05 0.13 0.62 -0.13 0.00 0.00 0.00 174.94 175.61 2aaq s ARG 127 N 1.75 4.03 0.00 2.79 3.00 -1.26 -0.55 118.95 128.71 2aaq s ARG 127 Ca 0.30 0.58 0.00 0.00 0.00 0.00 0.00 55.73 56.61 2aaq s ARG 127 Cb -0.16 -2.80 0.00 0.00 0.00 0.00 0.00 34.95 31.99 2aaq s ARG 127 CO 0.11 0.38 0.00 0.41 0.00 0.00 0.00 175.30 176.20 2aaq n GLY 128 N 0.47 2.76 3.77 -3.53 0.00 0.10 -4.83 105.19 103.91 2aaq n GLY 128 Ca -0.02 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2aaq n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2aaq s HIS 129 N -2.75 2.68 0.05 1.61 2.46 -1.26 -3.65 115.29 114.42 2aaq s HIS 129 Ca 0.00 1.38 0.06 0.00 0.47 0.00 0.00 55.06 56.97 2aaq s HIS 129 Cb 0.00 -3.71 -0.02 0.00 -0.13 0.00 0.00 32.58 28.71 2aaq s HIS 129 CO 0.00 -2.33 -0.17 0.00 -2.47 0.00 0.00 174.74 169.78 2aaq s ALA 130 N -1.28 1.42 0.03 1.58 0.00 -1.26 -4.04 121.76 118.21 2aaq s ALA 130 Ca 0.60 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 2aaq s ALA 130 Cb -0.39 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.54 2aaq s ALA 130 CO 0.49 0.29 0.46 0.00 0.00 0.00 0.00 175.76 177.00 2aaq s ALA 131 N -0.90 -1.17 0.03 0.00 0.00 -1.23 -4.58 121.76 113.92 2aaq s ALA 131 Ca 0.04 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 2aaq s ALA 131 Cb -0.09 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2aaq s ALA 131 CO 0.02 -0.44 0.96 -0.06 0.00 0.00 0.00 175.76 176.23 2aaq s PHE 132 N -2.20 3.70 0.00 0.00 0.40 -0.14 -0.88 117.98 118.86 2aaq s PHE 132 Ca -0.07 1.71 0.00 0.00 -0.60 0.00 0.00 56.93 57.97 2aaq s PHE 132 Cb -0.01 -3.08 0.00 0.00 0.51 0.00 0.00 43.02 40.44 2aaq s PHE 132 CO -0.00 0.07 0.00 0.25 0.70 0.00 0.00 175.22 176.24 2aaq n THR 133 N 3.53 0.00 -1.27 0.64 -2.24 -1.22 -4.71 114.28 109.00 2aaq n THR 133 Ca 0.04 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.62 2aaq n THR 133 Cb 0.50 -1.49 0.19 0.00 -2.10 0.00 0.00 70.33 67.43 2aaq n THR 133 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2aaq n SER 134 N 0.00 3.51 -4.91 3.42 2.88 -1.26 -4.65 113.62 112.61 2aaq n SER 134 Ca 0.00 -3.64 -0.21 0.00 -1.33 0.00 0.00 58.87 53.69 2aaq n SER 134 Cb 0.00 -0.80 -0.03 0.00 -0.75 0.00 0.00 64.21 62.63 2aaq n SER 134 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2aaq s ASP 135 N -1.54 5.93 -0.06 -3.46 1.01 -1.26 -5.04 116.67 112.25 2aaq s ASP 135 Ca 0.55 -0.11 -0.01 0.00 0.71 0.00 0.00 52.55 53.69 2aaq s ASP 135 Cb 0.47 -1.56 -0.26 0.00 1.01 0.00 0.00 42.92 42.57 2aaq s ASP 135 CO 0.09 -0.12 0.61 1.55 0.21 0.00 0.00 175.17 177.50 2aaq h PRO 136 N 1.25 0.19 -6.71 8.23 0.13 -1.93 -3.46 132.00 129.70 2aaq h PRO 136 Ca -0.50 -0.33 -0.52 0.00 -0.87 0.00 0.00 66.00 63.79 2aaq h PRO 136 Cb 1.24 0.12 0.02 0.00 0.13 0.00 0.00 31.00 32.51 2aaq h PRO 136 CO 0.60 0.99 0.53 0.21 -0.23 0.00 0.00 178.00 180.10 2aaq s LYS 137 N -2.59 4.54 -0.44 0.86 2.20 -1.26 -4.81 119.74 118.24 2aaq s LYS 137 Ca -0.13 1.85 -0.04 0.00 -0.36 0.00 0.00 55.97 57.29 2aaq s LYS 137 Cb 0.07 -3.22 -0.15 0.00 -1.51 0.00 0.00 37.83 33.02 2aaq s LYS 137 CO 0.81 0.01 1.39 -2.30 -0.36 0.00 0.00 175.35 174.90 2aaq n PRO 138 N 2.06 0.00 -3.78 4.03 -0.02 -1.26 -4.86 135.00 131.16 2aaq n PRO 138 Ca 0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 2aaq n PRO 138 Cb 0.45 -0.88 -0.10 0.00 -0.02 0.00 0.00 33.50 32.94 2aaq n PRO 138 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2aaq s THR 139 N 0.00 0.02 0.15 3.45 -4.23 -1.26 -2.43 115.64 111.35 2aaq s THR 139 Ca 0.58 -0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 2aaq s THR 139 Cb -0.37 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 2aaq s THR 139 CO 0.25 -0.11 -0.15 0.27 -0.54 0.00 0.00 174.62 174.34 2aaq s ILE 140 N -0.38 1.54 -0.26 2.99 -5.25 -0.50 -3.44 121.20 115.90 2aaq s ILE 140 Ca -0.05 -1.91 -0.02 0.00 -0.99 0.00 0.00 60.65 57.68 2aaq s ILE 140 Cb -0.03 -1.76 0.03 0.00 2.95 0.00 0.00 42.46 43.65 2aaq s ILE 140 CO 0.01 -0.46 -0.04 -0.70 -1.79 0.00 0.00 174.94 171.97 2aaq s GLU 141 N -3.01 2.76 -0.35 0.37 -6.30 -0.06 -1.09 118.70 111.01 2aaq s GLU 141 Ca 0.14 -1.04 -0.07 0.00 -2.50 0.00 0.00 54.97 51.51 2aaq s GLU 141 Cb -0.04 -3.05 0.05 0.00 0.00 0.00 0.00 34.13 31.09 2aaq s GLU 141 CO 0.05 -0.45 0.13 0.08 0.02 0.00 0.00 175.26 175.09 2aaq s VAL 142 N 1.32 3.83 -0.42 3.70 1.01 -0.32 -3.58 120.40 125.94 2aaq s VAL 142 Ca -0.01 -1.21 -0.34 0.00 0.00 0.00 0.00 61.98 60.42 2aaq s VAL 142 Cb -0.17 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2aaq s VAL 142 CO -0.03 -0.25 0.62 -1.54 0.00 0.00 0.00 175.10 173.90 2aaq n SER 143 N 4.82 -5.89 0.00 3.32 3.41 -1.26 -3.30 113.62 114.72 2aaq n SER 143 Ca -0.12 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2aaq n SER 143 Cb 0.44 -2.16 0.00 0.00 -0.26 0.00 0.00 64.21 62.23 2aaq n SER 143 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aaq n GLY 144 N -0.11 1.60 3.26 5.00 0.00 -1.26 -4.91 105.19 108.77 2aaq n GLY 144 Ca -0.05 0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2aaq n GLY 144 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aaq n LYS 145 N 0.00 0.05 -4.39 1.61 5.02 -1.21 -4.88 118.16 114.36 2aaq n LYS 145 Ca 0.00 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 2aaq n LYS 145 Cb 0.00 -1.08 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 2aaq n LYS 145 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2aaq s LYS 146 N -1.18 1.41 0.03 1.97 1.02 -1.26 -1.17 119.74 120.56 2aaq s LYS 146 Ca 0.57 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 55.20 2aaq s LYS 146 Cb -0.48 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.00 2aaq s LYS 146 CO 0.66 0.42 -0.08 0.71 -0.92 0.00 0.00 175.35 176.14 2aaq s TYR 147 N -1.28 0.67 0.16 3.18 1.51 -0.25 -2.90 117.35 118.44 2aaq s TYR 147 Ca 0.15 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 2aaq s TYR 147 Cb -0.09 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 2aaq s TYR 147 CO 0.07 -0.05 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.28 2aaq s THR 148 N -0.96 1.25 -0.30 -0.71 -1.32 -0.62 -1.41 115.64 111.58 2aaq s THR 148 Ca -0.05 -2.08 -0.21 0.00 -1.21 0.00 0.00 61.69 58.13 2aaq s THR 148 Cb -0.07 -1.90 0.19 0.00 -1.51 0.00 0.00 72.50 69.21 2aaq s THR 148 CO 0.00 -0.71 1.31 0.00 -2.21 0.00 0.00 174.62 173.01 2aaq s ALA 149 N -3.28 -2.37 0.66 11.08 0.00 -1.02 -1.32 121.76 125.52 2aaq s ALA 149 Ca 0.18 1.84 0.43 0.00 0.00 0.00 0.00 51.96 54.41 2aaq s ALA 149 Cb 0.02 -1.82 2.35 0.00 0.00 0.00 0.00 23.12 23.67 2aaq s ALA 149 CO 0.02 -0.21 2.34 -1.00 0.00 0.00 0.00 175.76 176.92 2aaq h PRO 150 N 4.16 0.00 -4.34 0.00 0.13 -1.77 -3.38 132.00 126.80 2aaq h PRO 150 Ca -0.27 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.30 2aaq h PRO 150 Cb 1.18 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.94 2aaq h PRO 150 CO 0.19 0.00 -0.81 -1.01 -0.23 0.00 0.00 178.00 176.15 2aaq s HIS 151 N -4.19 1.80 -0.10 1.56 3.76 -1.25 -4.23 115.29 112.64 2aaq s HIS 151 Ca -0.05 -1.04 0.01 0.00 -0.15 0.00 0.00 55.06 53.83 2aaq s HIS 151 Cb 0.13 -1.38 0.02 0.00 1.11 0.00 0.00 32.58 32.46 2aaq s HIS 151 CO 0.42 -0.60 -0.12 0.42 -0.85 0.00 0.00 174.74 174.00 2aaq s ILE 152 N 1.60 1.27 -0.12 0.60 1.01 0.18 -2.15 121.20 123.59 2aaq s ILE 152 Ca 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 2aaq s ILE 152 Cb -0.14 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 2aaq s ILE 152 CO -0.09 0.40 0.05 -0.22 0.00 0.00 0.00 174.94 175.08 2aaq s LEU 153 N 1.05 3.85 -0.36 2.97 2.96 0.47 -0.76 118.68 128.87 2aaq s LEU 153 Ca -0.06 0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 2aaq s LEU 153 Cb -0.15 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.65 2aaq s LEU 153 CO -0.02 0.33 0.18 -0.63 -1.32 0.00 0.00 176.35 174.90 2aaq s ILE 154 N -0.60 4.35 -0.35 6.68 1.01 0.38 0.61 121.20 133.28 2aaq s ILE 154 Ca 0.11 -0.92 0.15 0.00 0.00 0.00 0.00 60.65 59.99 2aaq s ILE 154 Cb -0.12 -3.43 0.45 0.00 0.01 0.00 0.00 42.46 39.37 2aaq s ILE 154 CO 0.02 -0.21 0.98 0.00 0.00 0.00 0.00 174.94 175.74 2aaq n ALA 155 N 4.95 3.77 1.85 9.38 0.00 0.23 -2.46 120.51 138.22 2aaq n ALA 155 Ca -0.12 -3.39 0.10 0.00 0.00 0.00 0.00 53.44 50.03 2aaq n ALA 155 Cb 0.46 -0.85 0.53 0.00 0.00 0.00 0.00 19.45 19.59 2aaq n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2aaq n THR 156 N -0.15 0.04 -2.84 0.00 -2.24 -1.03 -4.26 114.28 103.80 2aaq n THR 156 Ca 0.15 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2aaq n THR 156 Cb 0.79 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2aaq n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aaq n GLY 157 N 0.87 0.16 0.00 3.38 0.00 -1.26 -4.51 105.19 103.82 2aaq n GLY 157 Ca 0.15 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2aaq n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aaq n GLY 158 N 0.00 6.16 3.45 -0.02 0.00 -1.26 -1.55 105.19 111.97 2aaq n GLY 158 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 2aaq n GLY 158 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2aaq s MET 159 N 1.55 1.11 0.23 1.61 0.23 0.33 -4.67 119.30 119.70 2aaq s MET 159 Ca 0.00 -0.41 -0.30 0.00 -1.03 0.00 0.00 55.69 53.95 2aaq s MET 159 Cb 0.00 0.51 -0.09 0.00 -1.53 0.00 0.00 34.83 33.72 2aaq s MET 159 CO 0.00 -0.49 1.38 -1.25 -2.03 0.00 0.00 175.02 172.63 2aaq s PRO 160 N -3.52 4.32 -0.11 3.16 0.04 -1.26 0.14 135.00 137.77 2aaq s PRO 160 Ca 0.02 2.19 -0.21 0.00 0.04 0.00 0.00 61.00 63.04 2aaq s PRO 160 Cb -0.01 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2aaq s PRO 160 CO -0.12 -0.34 0.62 0.45 0.04 0.00 0.00 177.00 177.65 2aaq s SER 161 N 0.33 6.84 0.01 6.66 0.15 -0.43 -4.73 113.70 122.53 2aaq s SER 161 Ca 0.58 1.01 0.08 0.00 0.70 0.00 0.00 55.95 58.32 2aaq s SER 161 Cb -0.39 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.53 2aaq s SER 161 CO 0.41 -0.11 -0.26 -0.89 1.20 0.00 0.00 173.24 173.60 2aaq s THR 162 N 0.95 2.04 0.66 6.45 2.01 -1.26 -4.49 115.64 122.00 2aaq s THR 162 Ca 0.32 -1.20 -0.14 0.00 0.31 0.00 0.00 61.69 60.98 2aaq s THR 162 Cb -0.16 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 2aaq s THR 162 CO 0.14 0.48 1.08 -2.84 -0.69 0.00 0.00 174.62 172.79 2aaq s PRO 163 N -0.85 2.93 0.47 4.92 0.02 -1.26 -5.03 135.00 136.19 2aaq s PRO 163 Ca 0.10 1.22 -0.15 0.00 0.02 0.00 0.00 61.00 62.20 2aaq s PRO 163 Cb -0.10 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 2aaq s PRO 163 CO 0.00 -1.13 0.90 -1.01 -0.33 0.00 0.00 177.00 175.44 2aaq s HIS 164 N -2.57 3.45 0.41 6.54 3.76 -1.26 -4.69 115.29 120.93 2aaq s HIS 164 Ca 0.63 1.33 0.28 0.00 -0.15 0.00 0.00 55.06 57.15 2aaq s HIS 164 Cb -0.17 -2.67 1.47 0.00 1.11 0.00 0.00 32.58 32.32 2aaq s HIS 164 CO 0.44 -0.25 2.08 0.93 -0.85 0.00 0.00 174.74 177.09 2aaq h GLU 165 N 1.14 0.00 -0.46 1.40 4.39 -1.97 0.75 114.58 119.84 2aaq h GLU 165 Ca -0.47 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.24 2aaq h GLU 165 Cb 1.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 2aaq h GLU 165 CO 0.62 0.11 0.29 0.77 -1.16 0.00 0.00 179.01 179.64 2aaq h SER 166 N 0.00 0.48 0.01 1.42 0.02 -2.00 -2.98 113.55 110.50 2aaq h SER 166 Ca -0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2aaq h SER 166 Cb 0.33 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2aaq h SER 166 CO 0.01 0.35 -0.00 1.56 -1.14 0.00 0.00 176.83 177.61 2aaq h GLN 167 N 0.58 -0.01 -4.32 3.45 4.20 -1.68 -3.44 115.11 113.88 2aaq h GLN 167 Ca 0.18 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.27 2aaq h GLN 167 Cb -0.03 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.37 2aaq h GLN 167 CO -0.06 0.29 -0.77 0.42 -0.67 0.00 0.00 178.83 178.03 2aaq s ILE 168 N -1.80 1.57 0.23 2.54 1.01 0.17 -5.01 121.20 119.92 2aaq s ILE 168 Ca -0.06 -1.40 -0.30 0.00 0.00 0.00 0.00 60.65 58.89 2aaq s ILE 168 Cb -0.01 -1.91 -0.10 0.00 0.01 0.00 0.00 42.46 40.45 2aaq s ILE 168 CO 0.21 -0.23 1.45 -2.16 0.00 0.00 0.00 174.94 174.21 2aaq s PRO 169 N 1.35 4.27 0.00 2.79 0.04 -1.13 -2.04 135.00 140.28 2aaq s PRO 169 Ca -0.02 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2aaq s PRO 169 Cb -0.19 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2aaq s PRO 169 CO -0.08 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2aaq n GLY 170 N 2.41 0.90 0.43 0.56 0.00 -1.25 -1.53 105.19 106.70 2aaq n GLY 170 Ca 0.08 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.36 2aaq n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aaq h ALA 171 N 0.00 2.40 0.00 4.61 0.00 -1.67 0.42 119.26 125.02 2aaq h ALA 171 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2aaq h ALA 171 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2aaq h ALA 171 CO 0.00 -0.85 0.00 -1.13 0.00 0.00 0.00 179.25 177.27 2aaq n SER 172 N -4.61 0.00 0.13 0.00 3.41 -1.26 -1.67 113.62 109.61 2aaq n SER 172 Ca 0.28 0.22 -0.01 0.00 -0.26 0.00 0.00 58.87 59.10 2aaq n SER 172 Cb 1.02 -0.34 0.11 0.00 -0.26 0.00 0.00 64.21 64.74 2aaq n SER 172 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2aaq h LEU 173 N 0.00 0.00-10.07 1.04 -0.00 -0.55 -3.45 115.31 102.29 2aaq h LEU 173 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.38 2aaq h LEU 173 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 2aaq h LEU 173 CO 0.00 0.67 0.07 -0.83 -0.00 0.00 0.00 178.44 178.34 2aaq s GLY 174 N -4.51 2.15 0.17 0.83 0.00 -0.67 -4.74 107.32 100.54 2aaq s GLY 174 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.62 2aaq s GLY 174 CO 0.76 0.06 0.21 0.29 0.00 0.00 0.00 173.10 174.43 2aaq n ILE 175 N -0.74 0.00 -4.13 0.90 -5.35 0.18 -4.84 119.36 105.37 2aaq n ILE 175 Ca 0.02 -0.59 -0.07 0.00 -0.27 0.00 0.00 62.75 61.85 2aaq n ILE 175 Cb 0.53 -0.75 -0.02 0.00 -1.74 0.00 0.00 39.64 37.66 2aaq n ILE 175 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2aaq n THR 176 N -1.27 0.00 0.27 7.28 -2.24 -1.26 0.12 114.28 117.17 2aaq n THR 176 Ca 0.04 -0.63 0.10 0.00 -2.27 0.00 0.00 64.05 61.28 2aaq n THR 176 Cb 0.18 0.22 0.70 0.00 -2.10 0.00 0.00 70.33 69.33 2aaq n THR 176 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2aaq h SER 177 N 0.43 0.00 -0.36 3.42 4.64 -1.97 0.20 113.55 119.91 2aaq h SER 177 Ca -0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 2aaq h SER 177 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2aaq h SER 177 CO 0.13 0.00 0.06 0.44 -0.87 0.00 0.00 176.83 176.60 2aaq h ASP 178 N 0.00 0.64 0.16 4.97 3.45 -1.95 -2.44 116.42 121.26 2aaq h ASP 178 Ca -0.00 -0.12 -0.22 0.00 0.43 0.00 0.00 57.03 57.12 2aaq h ASP 178 Cb 0.01 -0.17 0.01 0.00 -0.56 0.00 0.00 39.33 38.61 2aaq h ASP 178 CO 0.00 0.68 -0.87 1.23 -1.57 0.00 0.00 179.24 178.70 2aaq h GLY 179 N 0.91 0.59 -0.27 2.75 0.00 -1.05 -3.21 103.07 102.80 2aaq h GLY 179 Ca 0.14 -0.95 0.17 0.00 0.00 0.00 0.00 47.33 46.70 2aaq h GLY 179 CO 0.01 0.84 0.08 -2.75 0.00 0.00 0.00 176.54 174.72 2aaq h PHE 180 N 0.33 0.09 -0.01 5.60 3.57 -0.66 0.48 116.94 126.34 2aaq h PHE 180 Ca -0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2aaq h PHE 180 Cb 1.50 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2aaq h PHE 180 CO 0.07 -0.19 0.00 1.19 -2.23 0.00 0.00 178.31 177.15 2aaq n PHE 181 N -5.27 0.01 0.33 0.41 3.72 -1.11 -2.43 117.46 113.11 2aaq n PHE 181 Ca 0.14 -0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.60 2aaq n PHE 181 Cb 0.49 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.94 2aaq n PHE 181 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2aaq n GLN 182 N -0.72 1.75 -1.70 -1.08 6.02 0.16 -5.00 117.38 116.82 2aaq n GLN 182 Ca 0.12 -0.05 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 2aaq n GLN 182 Cb 0.06 -1.19 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 2aaq n GLN 182 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2aaq n LEU 183 N -1.59 3.64 -0.12 1.08 4.77 -0.64 -4.91 117.00 119.24 2aaq n LEU 183 Ca 0.00 1.15 0.07 0.00 -0.03 0.00 0.00 56.01 57.20 2aaq n LEU 183 Cb 0.26 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 39.80 2aaq n LEU 183 CO 0.26 -0.22 0.06 -0.62 -1.33 0.00 0.00 177.39 175.55 2aaq n GLU 184 N 2.04 2.08 -4.20 3.23 1.02 -1.26 -4.99 120.64 118.55 2aaq n GLU 184 Ca 0.10 -0.26 -0.12 0.00 -0.02 0.00 0.00 57.16 56.86 2aaq n GLU 184 Cb 0.34 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 2aaq n GLU 184 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2aaq s GLU 185 N -2.17 1.06 -0.39 3.49 0.41 -1.26 -3.67 118.70 116.17 2aaq s GLU 185 Ca 0.08 -1.52 -0.24 0.00 -0.41 0.00 0.00 54.97 52.88 2aaq s GLU 185 Cb 0.11 0.07 0.01 0.00 -1.78 0.00 0.00 34.13 32.55 2aaq s GLU 185 CO 0.52 -0.25 0.81 -1.17 -0.49 0.00 0.00 175.26 174.68 2aaq s LEU 186 N -3.12 4.13 0.15 1.80 2.96 -1.26 -5.00 118.68 118.34 2aaq s LEU 186 Ca 0.27 0.27 -0.33 0.00 -0.22 0.00 0.00 54.13 54.13 2aaq s LEU 186 Cb 0.07 -3.05 -0.12 0.00 0.50 0.00 0.00 46.19 43.59 2aaq s LEU 186 CO 0.05 -0.80 1.72 -2.65 -1.32 0.00 0.00 176.35 173.35 2aaq n PRO 187 N 6.56 2.55 -0.04 0.98 -0.02 -1.26 -4.86 135.00 138.91 2aaq n PRO 187 Ca 0.03 0.92 -0.10 0.00 -2.02 0.00 0.00 63.50 62.33 2aaq n PRO 187 Cb 0.48 -2.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 2aaq n PRO 187 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2aaq h GLY 188 N 7.10 0.27 -6.51 -1.23 0.00 -1.94 -3.38 103.07 97.38 2aaq h GLY 188 Ca -0.45 -0.12 -0.67 0.00 0.00 0.00 0.00 47.33 46.09 2aaq h GLY 188 CO 0.93 0.12 -0.84 -1.60 0.00 0.00 0.00 176.54 175.15 2aaq s ARG 189 N -5.88 2.80 -0.03 4.80 6.06 -1.26 -0.65 118.95 124.78 2aaq s ARG 189 Ca -0.13 -0.95 0.04 0.00 -2.50 0.00 0.00 55.73 52.18 2aaq s ARG 189 Cb 0.08 -2.64 -0.03 0.00 0.06 0.00 0.00 34.95 32.42 2aaq s ARG 189 CO 0.70 -0.30 -0.14 -1.12 -2.50 0.00 0.00 175.30 171.93 2aaq s SER 190 N 1.25 4.04 -0.08 -2.12 0.01 -0.29 -0.27 113.70 116.24 2aaq s SER 190 Ca 0.02 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2aaq s SER 190 Cb -0.15 -0.83 0.02 0.00 0.21 0.00 0.00 66.02 65.28 2aaq s SER 190 CO -0.11 0.33 -0.06 -0.69 0.41 0.00 0.00 173.24 173.12 2aaq s VAL 191 N -0.78 0.78 -0.10 3.43 1.01 -1.06 -1.06 120.40 122.60 2aaq s VAL 191 Ca 0.12 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2aaq s VAL 191 Cb -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2aaq s VAL 191 CO 0.02 0.31 -0.22 -0.63 0.00 0.00 0.00 175.10 174.57 2aaq s ILE 192 N 1.37 1.95 -0.24 2.22 1.01 -0.36 -0.37 121.20 126.78 2aaq s ILE 192 Ca -0.03 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 2aaq s ILE 192 Cb -0.14 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 2aaq s ILE 192 CO -0.03 0.53 0.03 -0.69 0.00 0.00 0.00 174.94 174.78 2aaq s VAL 193 N 0.46 4.01 0.00 2.92 1.01 -0.05 -0.41 120.40 128.33 2aaq s VAL 193 Ca -0.17 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2aaq s VAL 193 Cb -0.17 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2aaq s VAL 193 CO 0.07 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2aaq n GLY 194 N 4.86 2.24 0.00 4.51 0.00 -0.76 0.11 105.19 116.16 2aaq n GLY 194 Ca -0.17 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2aaq n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aaq n ALA 195 N -1.27 0.76 -1.31 4.61 0.00 -1.26 -4.41 120.51 117.63 2aaq n ALA 195 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 2aaq n ALA 195 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2aaq n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aaq n GLY 196 N -0.00 -1.01 0.17 0.00 0.00 -1.26 -0.76 105.19 102.32 2aaq n GLY 196 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 2aaq n GLY 196 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2aaq h TYR 197 N -1.08 0.58 -0.61 1.61 -0.00 -1.98 -0.88 116.97 114.62 2aaq h TYR 197 Ca -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 58.73 58.36 2aaq h TYR 197 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 36.73 36.86 2aaq h TYR 197 CO 0.00 1.07 0.36 0.82 -0.00 0.00 0.00 178.16 180.40 2aaq h ILE 198 N 0.27 1.18 -0.01 -0.90 2.04 -1.94 0.76 117.51 118.90 2aaq h ILE 198 Ca -0.05 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2aaq h ILE 198 Cb 1.41 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2aaq h ILE 198 CO 0.14 0.19 -0.05 0.00 0.00 0.00 0.00 178.15 178.43 2aaq h ALA 199 N 1.55 0.02 -0.52 1.87 0.00 -1.76 -2.26 119.26 118.16 2aaq h ALA 199 Ca 0.22 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2aaq h ALA 199 Cb -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2aaq h ALA 199 CO -0.04 -0.11 0.33 0.28 0.00 0.00 0.00 179.25 179.70 2aaq h VAL 200 N -0.59 1.09 0.12 0.00 2.07 -0.81 -1.65 116.25 116.49 2aaq h VAL 200 Ca -0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2aaq h VAL 200 Cb 0.71 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2aaq h VAL 200 CO 0.01 0.12 -0.09 -0.33 0.02 0.00 0.00 177.57 177.30 2aaq h GLU 201 N 0.66 -0.21 -0.59 1.57 5.08 0.48 -1.43 114.58 120.14 2aaq h GLU 201 Ca 0.20 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2aaq h GLU 201 Cb -0.03 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2aaq h GLU 201 CO -0.07 -0.14 0.38 0.52 -1.00 0.00 0.00 179.01 178.70 2aaq h MET 202 N -0.21 0.74 -0.91 2.33 2.86 -1.21 -1.55 114.93 116.98 2aaq h MET 202 Ca -0.01 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2aaq h MET 202 Cb 0.19 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 2aaq h MET 202 CO -0.00 0.49 0.60 0.00 1.06 0.00 0.00 176.91 179.06 2aaq h ALA 203 N 1.24 1.37 -0.05 6.32 0.00 -1.17 -1.74 119.26 125.23 2aaq h ALA 203 Ca 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2aaq h ALA 203 Cb -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2aaq h ALA 203 CO -0.08 0.58 -0.01 0.78 0.00 0.00 0.00 179.25 180.52 2aaq h GLY 204 N 1.21 0.04 0.74 0.00 0.00 -0.28 -1.25 103.07 103.53 2aaq h GLY 204 Ca 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 2aaq h GLY 204 CO -0.08 -0.02 -0.11 -2.22 0.00 0.00 0.00 176.54 174.11 2aaq h ILE 205 N 0.00 0.84 -0.38 2.60 2.04 -1.14 -1.11 117.51 120.36 2aaq h ILE 205 Ca 0.02 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.44 2aaq h ILE 205 Cb 0.04 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2aaq h ILE 205 CO -0.05 0.11 0.02 -0.07 0.00 0.00 0.00 178.15 178.16 2aaq h LEU 206 N -0.58 -0.11 -0.25 1.44 3.38 -1.33 0.27 115.31 118.13 2aaq h LEU 206 Ca -0.03 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2aaq h LEU 206 Cb 0.42 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2aaq h LEU 206 CO 0.05 -0.02 0.14 -1.28 0.09 0.00 0.00 178.44 177.42 2aaq h SER 207 N 0.13 0.31 -0.49 -0.43 0.87 -1.23 -0.83 113.55 111.87 2aaq h SER 207 Ca 0.18 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2aaq h SER 207 Cb 0.25 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 2aaq h SER 207 CO -0.29 0.30 0.28 0.00 -0.53 0.00 0.00 176.83 176.59 2aaq h ALA 208 N 1.02 0.63 0.00 6.23 0.00 -0.60 -2.11 119.26 124.43 2aaq h ALA 208 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2aaq h ALA 208 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2aaq h ALA 208 CO -0.01 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.48 2aaq n LEU 209 N -4.83 0.00 0.00 0.00 4.77 0.89 -4.85 117.00 112.98 2aaq n LEU 209 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2aaq n LEU 209 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2aaq n LEU 209 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2aaq n GLY 210 N 0.32 2.27 3.77 -0.72 0.00 -0.79 -5.02 105.19 105.01 2aaq n GLY 210 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2aaq n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aaq s SER 211 N -1.39 6.36 -0.80 1.61 0.15 -0.35 -4.90 113.70 114.37 2aaq s SER 211 Ca 0.00 2.63 -0.25 0.00 0.70 0.00 0.00 55.95 59.03 2aaq s SER 211 Cb 0.00 -2.64 0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2aaq s SER 211 CO 0.00 -0.82 1.28 -0.75 1.20 0.00 0.00 173.24 174.15 2aaq s LYS 212 N -2.22 3.29 -0.02 5.44 2.47 0.17 -4.20 119.74 124.68 2aaq s LYS 212 Ca 0.56 -0.57 -0.10 0.00 -1.56 0.00 0.00 55.97 54.30 2aaq s LYS 212 Cb -0.37 -4.49 -0.05 0.00 -1.46 0.00 0.00 37.83 31.46 2aaq s LYS 212 CO 0.48 -2.11 0.31 0.99 0.16 0.00 0.00 175.35 175.18 2aaq s THR 213 N 5.26 5.22 -0.02 3.43 2.01 -1.26 -1.13 115.64 129.15 2aaq s THR 213 Ca 0.36 0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.88 2aaq s THR 213 Cb -0.07 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2aaq s THR 213 CO 0.08 0.50 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.92 2aaq s SER 214 N -1.30 1.75 -0.21 3.53 0.01 -0.23 -1.41 113.70 115.83 2aaq s SER 214 Ca 0.24 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.24 2aaq s SER 214 Cb -0.14 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 65.88 2aaq s SER 214 CO 0.12 0.17 -0.16 -0.22 0.41 0.00 0.00 173.24 173.57 2aaq s LEU 215 N -0.27 2.69 -0.31 2.44 2.96 0.46 -1.23 118.68 125.43 2aaq s LEU 215 Ca 0.04 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 52.83 2aaq s LEU 215 Cb -0.07 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2aaq s LEU 215 CO -0.00 -0.09 0.35 -0.32 -1.32 0.00 0.00 176.35 174.97 2aaq s MET 216 N 1.22 3.80 0.04 1.98 -2.45 0.45 0.49 119.30 124.81 2aaq s MET 216 Ca -0.01 -0.22 0.09 0.00 -1.25 0.00 0.00 55.69 54.30 2aaq s MET 216 Cb -0.16 -3.73 -0.03 0.00 1.25 0.00 0.00 34.83 32.17 2aaq s MET 216 CO -0.09 -0.38 -0.25 0.96 1.05 0.00 0.00 175.02 176.30 2aaq s ILE 217 N 2.01 2.00 0.50 10.11 -4.36 0.44 -1.82 121.20 130.08 2aaq s ILE 217 Ca 0.13 -1.30 0.42 0.00 -0.26 0.00 0.00 60.65 59.63 2aaq s ILE 217 Cb -0.16 -1.71 0.43 0.00 1.25 0.00 0.00 42.46 42.27 2aaq s ILE 217 CO 0.11 0.35 2.26 0.03 0.24 0.00 0.00 174.94 177.93 2aaq h ARG 218 N 4.90 0.00 0.00 0.37 3.08 -1.85 -0.03 114.38 120.85 2aaq h ARG 218 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2aaq h ARG 218 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2aaq h ARG 218 CO 0.44 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 180.06 2aaq n HIS 219 N -3.08 0.00 0.72 3.04 8.25 -1.26 -3.90 115.22 118.99 2aaq n HIS 219 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 2aaq n HIS 219 Cb 0.14 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 2aaq n HIS 219 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2aaq n ASP 220 N 0.00 0.78 -3.86 0.41 5.75 -1.26 0.17 116.55 118.54 2aaq n ASP 220 Ca 0.00 -0.84 -0.09 0.00 -0.01 0.00 0.00 54.79 53.85 2aaq n ASP 220 Cb 0.00 1.03 -0.07 0.00 -1.03 0.00 0.00 41.12 41.05 2aaq n ASP 220 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2aaq s LYS 221 N -2.54 0.87 0.64 0.11 1.02 -1.26 -4.98 119.74 113.60 2aaq s LYS 221 Ca 0.06 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.11 2aaq s LYS 221 Cb 0.12 0.35 0.10 0.00 -0.52 0.00 0.00 37.83 37.88 2aaq s LYS 221 CO 0.66 -0.28 0.89 0.14 -0.92 0.00 0.00 175.35 175.83 2aaq s VAL 222 N -3.87 2.20 -1.62 3.17 -7.23 -1.26 -4.55 120.40 107.24 2aaq s VAL 222 Ca 0.06 -0.78 -0.08 0.00 -1.81 0.00 0.00 61.98 59.37 2aaq s VAL 222 Cb 0.05 -2.42 0.07 0.00 0.56 0.00 0.00 36.38 34.64 2aaq s VAL 222 CO -0.10 0.00 0.30 0.18 -0.31 0.00 0.00 175.10 175.16 2aaq n LEU 223 N -2.54 -1.22 0.17 1.32 4.77 0.06 -4.50 117.00 115.06 2aaq n LEU 223 Ca 0.15 -1.20 0.12 0.00 -0.03 0.00 0.00 56.01 55.05 2aaq n LEU 223 Cb 0.61 -1.75 0.60 0.00 -2.33 0.00 0.00 43.42 40.55 2aaq n LEU 223 CO 0.41 0.36 0.87 0.03 -1.33 0.00 0.00 177.39 177.73 2aaq h ARG 224 N -1.55 0.00 0.00 3.23 3.08 -1.81 -0.91 114.38 116.42 2aaq h ARG 224 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.42 2aaq h ARG 224 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2aaq h ARG 224 CO 0.75 0.00 -0.30 0.66 -1.07 0.00 0.00 179.97 180.01 2aaq h SER 225 N 0.00 0.00 -4.02 7.04 4.64 -1.95 -3.46 113.55 115.80 2aaq h SER 225 Ca 0.00 -0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 2aaq h SER 225 Cb 0.12 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.37 2aaq h SER 225 CO 0.00 0.00 0.36 -0.36 -0.87 0.00 0.00 176.83 175.96 2aaq s PHE 226 N -3.26 1.63 0.60 4.77 0.40 -0.35 -4.99 117.98 116.79 2aaq s PHE 226 Ca 0.05 0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 56.64 2aaq s PHE 226 Cb 0.06 -3.85 -0.03 0.00 0.51 0.00 0.00 43.02 39.71 2aaq s PHE 226 CO 0.71 -2.75 1.28 0.34 0.70 0.00 0.00 175.22 175.49 2aaq s ASP 227 N -4.59 4.95 0.30 1.36 -1.08 -1.26 -4.72 116.67 111.64 2aaq s ASP 227 Ca 0.71 2.59 0.06 0.00 -0.52 0.00 0.00 52.55 55.38 2aaq s ASP 227 Cb -0.07 -2.62 0.75 0.00 -1.46 0.00 0.00 42.92 39.52 2aaq s ASP 227 CO 0.53 -1.77 1.75 0.77 0.52 0.00 0.00 175.17 176.98 2aaq h SER 228 N 0.89 0.68 -0.37 -0.34 4.64 -1.92 -0.70 113.55 116.42 2aaq h SER 228 Ca -0.51 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.91 2aaq h SER 228 Cb 1.32 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 2aaq h SER 228 CO 0.55 0.20 0.16 -0.03 -0.87 0.00 0.00 176.83 176.84 2aaq h MET 229 N 0.67 0.55 -0.06 4.77 -1.53 -1.99 -1.63 114.93 115.70 2aaq h MET 229 Ca 0.58 -0.09 -0.00 0.00 -3.44 0.00 0.00 59.70 56.74 2aaq h MET 229 Cb 0.96 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.92 2aaq h MET 229 CO -0.42 0.51 0.03 0.82 0.14 0.00 0.00 176.91 177.99 2aaq h ILE 230 N 0.46 1.12 -0.36 1.77 1.08 -1.54 -0.30 117.51 119.74 2aaq h ILE 230 Ca 0.13 -0.35 0.07 0.00 -0.39 0.00 0.00 64.86 64.31 2aaq h ILE 230 Cb 0.16 1.24 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 2aaq h ILE 230 CO -0.01 0.10 -0.01 -1.28 -0.69 0.00 0.00 178.15 176.26 2aaq h SER 231 N -0.04 -0.16 -0.25 1.72 0.87 -1.10 0.34 113.55 114.93 2aaq h SER 231 Ca 0.02 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 2aaq h SER 231 Cb 0.14 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2aaq h SER 231 CO -0.00 -0.04 0.01 0.74 -0.53 0.00 0.00 176.83 177.00 2aaq h THR 232 N 0.09 1.25 -0.33 2.23 2.02 -1.21 -2.72 112.91 114.24 2aaq h THR 232 Ca 0.18 -0.89 -0.12 0.00 0.77 0.00 0.00 66.41 66.35 2aaq h THR 232 Cb 0.25 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2aaq h THR 232 CO -0.30 0.28 -0.28 -1.13 0.37 0.00 0.00 175.52 174.46 2aaq h ASN 233 N 0.22 0.81 -0.56 4.18 -1.24 -0.79 -2.57 115.58 115.63 2aaq h ASN 233 Ca 0.07 -0.45 -0.00 0.00 0.71 0.00 0.00 56.30 56.62 2aaq h ASN 233 Cb 0.40 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 2aaq h ASN 233 CO 0.01 1.09 0.33 0.00 -1.29 0.00 0.00 177.43 177.57 2aaq h THR 235 N 0.75 1.20 -0.54 0.00 2.02 -1.47 0.14 112.91 115.01 2aaq h THR 235 Ca 0.20 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 2aaq h THR 235 Cb -0.01 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 2aaq h THR 235 CO -0.04 0.20 -0.02 -0.33 0.37 0.00 0.00 175.52 175.70 2aaq h GLU 236 N 1.04 0.97 -0.39 6.66 5.08 -1.01 -2.57 114.58 124.36 2aaq h GLU 236 Ca 0.28 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2aaq h GLU 236 Cb -0.10 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2aaq h GLU 236 CO -0.06 0.99 0.14 0.93 -1.00 0.00 0.00 179.01 180.01 2aaq h GLU 237 N 0.85 0.60 -0.68 2.33 4.39 -0.42 0.11 114.58 121.76 2aaq h GLU 237 Ca 0.15 -0.12 0.14 0.00 0.34 0.00 0.00 59.36 59.87 2aaq h GLU 237 Cb 0.56 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.02 2aaq h GLU 237 CO 0.03 0.59 0.14 -0.07 -1.16 0.00 0.00 179.01 178.54 2aaq h LEU 238 N 0.49 -0.03 0.02 1.33 -0.00 -0.85 0.95 115.31 117.22 2aaq h LEU 238 Ca 0.13 0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2aaq h LEU 238 Cb 0.23 0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2aaq h LEU 238 CO -0.01 -0.03 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.06 2aaq h GLU 239 N 0.25 -0.03 -0.96 1.13 5.08 -1.03 0.39 114.58 119.41 2aaq h GLU 239 Ca 0.37 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.83 2aaq h GLU 239 Cb 0.60 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 2aaq h GLU 239 CO -0.48 0.26 0.61 -0.91 -1.00 0.00 0.00 179.01 177.50 2aaq h ASN 240 N -0.32 0.90 0.17 1.42 2.35 -0.26 0.18 115.58 120.03 2aaq h ASN 240 Ca -0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2aaq h ASN 240 Cb 0.30 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2aaq h ASN 240 CO 0.00 0.53 0.00 0.00 -1.65 0.00 0.00 177.43 176.32 2aaq n ALA 241 N -2.38 1.95 -0.26 -0.83 0.00 0.26 -4.82 120.51 114.42 2aaq n ALA 241 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2aaq n ALA 241 Cb 0.29 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2aaq n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aaq n GLY 242 N 0.00 0.84 3.61 0.00 0.00 0.63 -4.88 105.19 105.40 2aaq n GLY 242 Ca 0.09 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2aaq n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aaq s VAL 243 N -2.00 5.13 -0.29 1.61 1.01 0.11 -4.63 120.40 121.33 2aaq s VAL 243 Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 2aaq s VAL 243 Cb 0.00 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2aaq s VAL 243 CO 0.00 0.12 1.36 -0.70 0.00 0.00 0.00 175.10 175.88 2aaq s GLU 244 N 2.17 3.88 -0.45 2.72 2.12 -0.50 -3.83 118.70 124.81 2aaq s GLU 244 Ca 0.17 1.30 -0.17 0.00 0.36 0.00 0.00 54.97 56.64 2aaq s GLU 244 Cb -0.16 -3.91 0.04 0.00 0.26 0.00 0.00 34.13 30.36 2aaq s GLU 244 CO 0.10 -1.17 0.43 0.08 -0.54 0.00 0.00 175.26 174.15 2aaq s VAL 245 N 4.57 5.13 -0.62 3.70 1.01 -1.26 0.17 120.40 133.10 2aaq s VAL 245 Ca 0.59 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2aaq s VAL 245 Cb -0.18 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.19 2aaq s VAL 245 CO 0.25 -0.50 0.92 -0.76 0.00 0.00 0.00 175.10 175.00 2aaq s LEU 246 N 1.99 4.43 0.23 3.92 1.43 0.18 -4.94 118.68 125.91 2aaq s LEU 246 Ca 0.09 -0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 2aaq s LEU 246 Cb -0.20 -2.50 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 2aaq s LEU 246 CO 0.11 -1.34 0.71 -0.54 0.23 0.00 0.00 176.35 175.52 2aaq s LYS 247 N 3.86 4.21 -1.36 1.70 1.02 -1.26 -0.42 119.74 127.48 2aaq s LYS 247 Ca 0.23 0.82 -0.05 0.00 0.02 0.00 0.00 55.97 56.99 2aaq s LYS 247 Cb -0.17 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.33 2aaq s LYS 247 CO 0.12 0.38 0.85 1.19 -0.92 0.00 0.00 175.35 176.96 2aaq n PHE 248 N 0.62 -2.13 -4.23 3.18 3.72 0.13 -4.68 117.46 114.07 2aaq n PHE 248 Ca -0.02 0.88 -0.18 0.00 -0.05 0.00 0.00 57.45 58.08 2aaq n PHE 248 Cb 0.51 -4.41 -0.12 0.00 -0.94 0.00 0.00 39.48 34.52 2aaq n PHE 248 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2aaq s SER 249 N -3.99 1.51 0.02 4.37 0.01 -0.67 0.13 113.70 115.09 2aaq s SER 249 Ca 0.23 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2aaq s SER 249 Cb -0.11 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 2aaq s SER 249 CO 0.80 -0.04 -0.03 -1.10 0.41 0.00 0.00 173.24 173.27 2aaq s GLN 250 N -1.41 0.33 -0.34 12.44 -0.21 -0.18 -3.87 119.66 126.41 2aaq s GLN 250 Ca -0.02 -0.60 -0.28 0.00 0.02 0.00 0.00 55.36 54.48 2aaq s GLN 250 Cb -0.09 0.06 0.02 0.00 1.00 0.00 0.00 33.01 34.00 2aaq s GLN 250 CO 0.01 -0.04 1.02 0.08 -2.12 0.00 0.00 175.29 174.25 2aaq s VAL 251 N -1.40 4.53 -0.04 1.09 1.01 -1.26 -1.05 120.40 123.28 2aaq s VAL 251 Ca -0.15 1.52 0.12 0.00 0.00 0.00 0.00 61.98 63.47 2aaq s VAL 251 Cb -0.10 -4.39 -0.23 0.00 0.00 0.00 0.00 36.38 31.67 2aaq s VAL 251 CO -0.01 -0.52 0.67 1.17 0.00 0.00 0.00 175.10 176.42 2aaq n LYS 252 N 6.86 0.63 -3.53 2.72 3.00 0.54 -4.92 118.16 123.46 2aaq n LYS 252 Ca 0.10 0.30 -0.13 0.00 -0.00 0.00 0.00 58.31 58.58 2aaq n LYS 252 Cb 0.48 -1.80 -0.05 0.00 0.00 0.00 0.00 35.03 33.66 2aaq n LYS 252 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2aaq s GLU 253 N -2.60 0.84 0.02 1.64 2.12 -1.04 -4.33 118.70 115.34 2aaq s GLU 253 Ca -0.05 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.36 2aaq s GLU 253 Cb 0.08 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 2aaq s GLU 253 CO 0.82 -0.29 -0.03 0.08 -0.54 0.00 0.00 175.26 175.30 2aaq s VAL 254 N -1.65 0.18 -0.12 3.70 1.01 -0.58 -0.44 120.40 122.50 2aaq s VAL 254 Ca -0.04 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2aaq s VAL 254 Cb -0.00 -0.29 0.10 0.00 0.00 0.00 0.00 36.38 36.19 2aaq s VAL 254 CO 0.02 -0.37 0.83 -1.59 0.00 0.00 0.00 175.10 173.99 2aaq s LYS 255 N -1.19 0.82 -0.00 2.72 -2.85 -0.93 -3.88 119.74 114.43 2aaq s LYS 255 Ca -0.12 0.28 -0.30 0.00 -1.00 0.00 0.00 55.97 54.83 2aaq s LYS 255 Cb -0.08 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 2aaq s LYS 255 CO -0.01 -0.24 1.19 -1.59 0.10 0.00 0.00 175.35 174.81 2aaq s LYS 256 N -0.98 4.40 0.00 1.78 -2.85 -1.26 -0.58 119.74 120.24 2aaq s LYS 256 Ca -0.06 1.71 0.00 0.00 -1.00 0.00 0.00 55.97 56.62 2aaq s LYS 256 Cb -0.01 -3.46 0.00 0.00 -2.06 0.00 0.00 37.83 32.30 2aaq s LYS 256 CO 0.05 -0.35 0.00 0.25 0.10 0.00 0.00 175.35 175.41 2aaq n THR 257 N 4.28 0.00 0.08 3.79 -2.24 -0.11 -4.90 114.28 115.18 2aaq n THR 257 Ca 0.10 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.76 2aaq n THR 257 Cb 0.46 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 2aaq n THR 257 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2aaq h LEU 258 N 0.00 -0.22 -3.61 3.22 3.38 -1.98 -3.28 115.31 112.82 2aaq h LEU 258 Ca 0.00 -0.31 -0.36 0.00 0.09 0.00 0.00 57.88 57.31 2aaq h LEU 258 Cb 0.00 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 40.66 2aaq h LEU 258 CO 0.00 0.26 0.43 -1.54 0.09 0.00 0.00 178.44 177.68 2aaq n SER 259 N -4.99 6.52 0.00 -0.43 3.41 -1.26 -4.96 113.62 111.91 2aaq n SER 259 Ca -0.08 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.42 2aaq n SER 259 Cb 0.26 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2aaq n SER 259 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aaq n GLY 260 N 0.36 1.24 3.00 5.00 0.00 -1.24 -4.34 105.19 109.22 2aaq n GLY 260 Ca 0.33 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 2aaq n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aaq s LEU 261 N 0.00 2.19 -0.13 0.99 1.02 -0.42 -0.93 118.68 121.40 2aaq s LEU 261 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.74 2aaq s LEU 261 Cb 0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 46.19 46.13 2aaq s LEU 261 CO 0.00 -0.18 -0.16 -0.70 0.02 0.00 0.00 176.35 175.33 2aaq s GLU 262 N -1.18 3.26 -0.18 1.70 2.12 0.25 -1.00 118.70 123.67 2aaq s GLU 262 Ca -0.09 -0.75 -0.02 0.00 0.36 0.00 0.00 54.97 54.47 2aaq s GLU 262 Cb -0.08 -2.56 -0.00 0.00 0.26 0.00 0.00 34.13 31.75 2aaq s GLU 262 CO -0.00 0.15 -0.11 0.08 -0.54 0.00 0.00 175.26 174.84 2aaq s VAL 263 N 0.48 2.98 -0.26 3.70 1.01 0.28 -2.19 120.40 126.40 2aaq s VAL 263 Ca -0.11 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 2aaq s VAL 263 Cb -0.16 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2aaq s VAL 263 CO 0.05 0.48 0.20 -0.44 0.00 0.00 0.00 175.10 175.39 2aaq s SER 264 N 1.07 6.10 0.13 3.32 0.01 0.41 0.14 113.70 124.88 2aaq s SER 264 Ca -0.00 0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.42 2aaq s SER 264 Cb -0.15 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 2aaq s SER 264 CO -0.02 -0.01 -0.16 0.00 0.41 0.00 0.00 173.24 173.46 2aaq s MET 265 N 1.47 1.07 -0.10 12.44 0.23 -0.13 -0.34 119.30 133.95 2aaq s MET 265 Ca 0.09 -1.25 0.01 0.00 -1.03 0.00 0.00 55.69 53.51 2aaq s MET 265 Cb -0.15 -1.03 -0.02 0.00 -1.53 0.00 0.00 34.83 32.10 2aaq s MET 265 CO 0.08 0.21 -0.13 0.54 -2.03 0.00 0.00 175.02 173.68 2aaq s VAL 266 N -1.98 3.07 -0.21 5.16 0.11 -0.21 -0.87 120.40 125.46 2aaq s VAL 266 Ca 0.09 -0.68 -0.04 0.00 -2.93 0.00 0.00 61.98 58.43 2aaq s VAL 266 Cb -0.06 -2.25 -0.01 0.00 -1.53 0.00 0.00 36.38 32.52 2aaq s VAL 266 CO 0.04 0.55 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.43 2aaq s THR 267 N -0.08 3.50 -0.67 5.04 2.01 0.04 -1.01 115.64 124.47 2aaq s THR 267 Ca -0.02 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.57 2aaq s THR 267 Cb -0.14 -2.58 0.18 0.00 0.01 0.00 0.00 72.50 69.97 2aaq s THR 267 CO 0.04 0.43 0.50 0.00 -0.69 0.00 0.00 174.62 174.90 2aaq n ALA 268 N 4.53 3.41 -2.65 7.40 0.00 0.35 -1.68 120.51 131.88 2aaq n ALA 268 Ca -0.18 -4.41 -0.42 0.00 0.00 0.00 0.00 53.44 48.43 2aaq n ALA 268 Cb 0.51 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 2aaq n ALA 268 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2aaq s VAL 269 N -1.41 4.82 0.29 0.00 1.01 -1.26 -4.85 120.40 119.00 2aaq s VAL 269 Ca 0.27 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 2aaq s VAL 269 Cb -0.02 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 2aaq s VAL 269 CO -0.16 -0.08 1.21 -0.81 0.00 0.00 0.00 175.10 175.25 2aaq n PRO 270 N 6.02 1.76 -0.49 2.72 -0.04 -1.26 0.13 135.00 143.84 2aaq n PRO 270 Ca 0.06 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 2aaq n PRO 270 Cb 0.47 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 2aaq n PRO 270 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aaq n GLY 271 N 1.33 1.09 3.21 0.55 0.00 -1.26 -5.01 105.19 105.10 2aaq n GLY 271 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2aaq n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aaq s ARG 272 N -0.35 0.99 0.29 1.61 0.52 0.12 -5.15 118.95 116.97 2aaq s ARG 272 Ca 0.00 -1.45 -0.15 0.00 -0.52 0.00 0.00 55.73 53.61 2aaq s ARG 272 Cb 0.00 -0.22 -0.09 0.00 0.52 0.00 0.00 34.95 35.17 2aaq s ARG 272 CO 0.00 -0.09 0.70 -0.51 0.02 0.00 0.00 175.30 175.42 2aaq s LEU 273 N -3.11 4.13 1.02 2.53 1.02 -1.26 -4.53 118.68 118.47 2aaq s LEU 273 Ca 0.19 1.24 -0.11 0.00 0.02 0.00 0.00 54.13 55.46 2aaq s LEU 273 Cb 0.06 -3.92 0.19 0.00 0.02 0.00 0.00 46.19 42.54 2aaq s LEU 273 CO 0.00 -0.14 1.02 -2.65 0.02 0.00 0.00 176.35 174.60 2aaq n PRO 274 N -0.13 -1.17 -3.68 1.29 -0.02 -1.26 -4.70 135.00 125.33 2aaq n PRO 274 Ca 0.02 -0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.08 2aaq n PRO 274 Cb 0.53 -2.25 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 2aaq n PRO 274 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aaq s VAL 275 N -2.53 -0.00 0.02 -1.45 -7.23 -0.68 -4.96 120.40 103.57 2aaq s VAL 275 Ca 0.67 0.01 -0.09 0.00 -1.81 0.00 0.00 61.98 60.75 2aaq s VAL 275 Cb -0.23 -0.79 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 2aaq s VAL 275 CO 0.61 0.00 0.33 -0.04 -0.31 0.00 0.00 175.10 175.69 2aaq s MET 276 N 0.46 3.68 -0.02 4.82 -1.94 -1.26 -0.78 119.30 124.26 2aaq s MET 276 Ca -0.01 0.08 -0.02 0.00 -1.71 0.00 0.00 55.69 54.03 2aaq s MET 276 Cb -0.04 -3.08 0.01 0.00 2.01 0.00 0.00 34.83 33.73 2aaq s MET 276 CO -0.01 0.63 0.06 0.99 -0.01 0.00 0.00 175.02 176.68 2aaq s THR 277 N -1.28 -0.01 -0.26 2.05 2.01 -0.05 -4.99 115.64 113.10 2aaq s THR 277 Ca 0.28 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.23 2aaq s THR 277 Cb -0.14 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 2aaq s THR 277 CO 0.15 0.02 0.13 -0.04 -0.69 0.00 0.00 174.62 174.19 2aaq s MET 278 N 0.23 3.83 -0.39 4.92 -1.94 -1.26 -0.95 119.30 123.73 2aaq s MET 278 Ca -0.02 -0.39 -0.14 0.00 -1.71 0.00 0.00 55.69 53.44 2aaq s MET 278 Cb -0.03 -3.49 0.02 0.00 2.01 0.00 0.00 34.83 33.34 2aaq s MET 278 CO -0.01 -0.15 0.27 0.42 -0.01 0.00 0.00 175.02 175.54 2aaq s ILE 279 N 1.60 5.09 0.53 2.53 1.01 0.36 -4.90 121.20 127.42 2aaq s ILE 279 Ca 0.07 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2aaq s ILE 279 Cb -0.15 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.54 2aaq s ILE 279 CO 0.07 -0.25 0.75 -2.16 0.00 0.00 0.00 174.94 173.35 2aaq s PRO 280 N 1.65 2.57 -1.36 2.79 0.04 -1.26 0.98 135.00 140.42 2aaq s PRO 280 Ca 0.04 -0.85 -0.09 0.00 0.04 0.00 0.00 61.00 60.14 2aaq s PRO 280 Cb -0.19 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.89 2aaq s PRO 280 CO 0.09 -0.66 0.55 -0.25 0.04 0.00 0.00 177.00 176.77 2aaq n ASP 281 N -2.28 -4.18 -4.65 6.66 8.00 -1.07 -4.92 116.55 114.11 2aaq n ASP 281 Ca 0.08 -0.41 -0.43 0.00 0.71 0.00 0.00 54.79 54.74 2aaq n ASP 281 Cb 0.60 -3.43 -0.02 0.00 -0.02 0.00 0.00 41.12 38.24 2aaq n ASP 281 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2aaq s VAL 282 N -3.01 4.69 -0.65 2.53 1.01 -0.17 -4.54 120.40 120.27 2aaq s VAL 282 Ca 0.41 1.89 0.23 0.00 0.00 0.00 0.00 61.98 64.52 2aaq s VAL 282 Cb -0.21 -4.28 0.24 0.00 0.00 0.00 0.00 36.38 32.13 2aaq s VAL 282 CO 0.51 -0.20 1.71 0.47 0.00 0.00 0.00 175.10 177.59 2aaq n ASP 283 N 6.32 0.58 0.00 3.32 8.00 0.63 -1.30 116.55 134.10 2aaq n ASP 283 Ca 0.11 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.22 2aaq n ASP 283 Cb 0.46 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2aaq n ASP 283 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aaq s LEU 285 N 0.00 4.25 -0.14 0.00 2.96 -1.26 -2.57 118.68 121.92 2aaq s LEU 285 Ca 0.00 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2aaq s LEU 285 Cb 0.00 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.61 2aaq s LEU 285 CO 0.00 0.23 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.29 2aaq s LEU 286 N 0.06 2.09 -0.18 -0.68 1.02 0.50 0.48 118.68 121.96 2aaq s LEU 286 Ca 0.10 -0.60 -0.22 0.00 0.02 0.00 0.00 54.13 53.42 2aaq s LEU 286 Cb -0.11 -1.43 -0.02 0.00 0.02 0.00 0.00 46.19 44.64 2aaq s LEU 286 CO -0.01 0.07 0.71 0.26 0.02 0.00 0.00 176.35 177.39 2aaq s TRP 287 N 0.89 3.39 -0.39 0.29 0.52 0.33 -0.87 118.94 123.11 2aaq s TRP 287 Ca -0.05 1.05 0.11 0.00 0.02 0.00 0.00 56.10 57.23 2aaq s TRP 287 Cb -0.15 -2.88 0.34 0.00 -1.15 0.00 0.00 33.47 29.63 2aaq s TRP 287 CO -0.04 -0.19 0.72 0.00 0.02 0.00 0.00 176.95 177.46 2aaq n ALA 288 N 5.10 2.20 -0.47 0.98 0.00 0.12 -4.25 120.51 124.18 2aaq n ALA 288 Ca 0.01 -3.48 0.09 0.00 0.00 0.00 0.00 53.44 50.06 2aaq n ALA 288 Cb 0.49 -0.91 0.28 0.00 0.00 0.00 0.00 19.45 19.32 2aaq n ALA 288 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2aaq n ILE 289 N 0.37 1.43 0.00 0.00 -5.35 -1.22 -3.93 119.36 110.66 2aaq n ILE 289 Ca 0.25 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.56 2aaq n ILE 289 Cb 0.63 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 2aaq n ILE 289 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aaq n GLY 290 N 0.90 2.90 3.48 3.28 0.00 -1.26 -4.97 105.19 109.52 2aaq n GLY 290 Ca 0.21 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 2aaq n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aaq s ARG 291 N -1.97 1.93 -0.10 1.61 1.81 -1.26 -1.31 118.95 119.66 2aaq s ARG 291 Ca 0.00 -1.08 0.03 0.00 -1.72 0.00 0.00 55.73 52.96 2aaq s ARG 291 Cb 0.00 -2.16 -0.01 0.00 -0.45 0.00 0.00 34.95 32.33 2aaq s ARG 291 CO 0.00 0.51 -0.19 0.08 -0.68 0.00 0.00 175.30 175.02 2aaq s VAL 292 N -1.06 2.52 0.31 3.52 1.01 0.38 -4.84 120.40 122.24 2aaq s VAL 292 Ca 0.17 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 2aaq s VAL 292 Cb -0.11 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 2aaq s VAL 292 CO 0.08 0.55 1.21 -2.16 0.00 0.00 0.00 175.10 174.79 2aaq s PRO 293 N 0.13 4.48 -0.99 2.72 0.04 -1.26 0.12 135.00 140.24 2aaq s PRO 293 Ca -0.10 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.77 2aaq s PRO 293 Cb -0.16 -3.13 0.10 0.00 0.04 0.00 0.00 34.50 31.36 2aaq s PRO 293 CO 0.06 -0.01 1.28 -0.80 0.04 0.00 0.00 177.00 177.57 2aaq s ASN 294 N -0.64 6.62 0.00 6.66 0.01 -0.60 -4.50 114.94 122.49 2aaq s ASN 294 Ca 0.47 -1.92 0.00 0.00 -0.71 0.00 0.00 52.86 50.71 2aaq s ASN 294 Cb -0.36 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 38.83 2aaq s ASN 294 CO 0.47 -1.20 0.00 0.35 -1.51 0.00 0.00 177.10 175.21 2aaq n THR 295 N 5.96 0.00 0.19 1.60 -2.24 -1.26 -4.82 114.28 113.71 2aaq n THR 295 Ca 0.29 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 2aaq n THR 295 Cb 0.49 0.34 0.58 0.00 -2.10 0.00 0.00 70.33 69.64 2aaq n THR 295 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2aaq h LYS 296 N 0.00 0.00 -0.05 -0.78 1.57 -1.91 -1.41 116.57 113.98 2aaq h LYS 296 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aaq h LYS 296 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2aaq h LYS 296 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 2aaq n ASP 297 N -2.30 2.15 0.09 0.86 8.00 -1.26 -4.50 116.55 119.59 2aaq n ASP 297 Ca -0.01 -2.02 0.12 0.00 0.71 0.00 0.00 54.79 53.59 2aaq n ASP 297 Cb 0.17 -0.04 0.28 0.00 -0.02 0.00 0.00 41.12 41.50 2aaq n ASP 297 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2aaq h LEU 298 N 0.31 0.00 -2.75 0.64 3.38 -1.50 -3.42 115.31 111.97 2aaq h LEU 298 Ca 0.00 -0.10 -0.45 0.00 0.09 0.00 0.00 57.88 57.42 2aaq h LEU 298 Cb 0.54 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.34 2aaq h LEU 298 CO 0.00 0.05 -0.92 -1.54 0.09 0.00 0.00 178.44 176.12 2aaq n SER 299 N -2.24 -3.60 0.03 -0.43 3.41 -1.26 -0.97 113.62 108.57 2aaq n SER 299 Ca 0.04 -1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 57.53 2aaq n SER 299 Cb 0.44 -3.33 -0.08 0.00 -0.26 0.00 0.00 64.21 60.98 2aaq n SER 299 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2aaq h LEU 300 N -1.89 -0.01 -1.10 1.04 3.38 -1.86 -2.97 115.31 111.91 2aaq h LEU 300 Ca -0.65 -0.10 0.42 0.00 0.09 0.00 0.00 57.88 57.64 2aaq h LEU 300 Cb 1.36 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.96 2aaq h LEU 300 CO 0.53 0.09 0.65 -0.46 0.09 0.00 0.00 178.44 179.34 2aaq n ASN 301 N -5.05 0.28 0.00 -0.43 6.94 -1.26 0.29 115.26 116.03 2aaq n ASN 301 Ca -0.07 1.47 0.00 0.00 -0.02 0.00 0.00 54.58 55.96 2aaq n ASN 301 Cb 0.08 -0.72 0.00 0.00 -2.36 0.00 0.00 39.78 36.78 2aaq n ASN 301 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2aaq n LYS 302 N -4.93 0.00 0.00 -3.83 5.02 -1.12 0.47 118.16 113.77 2aaq n LYS 302 Ca 0.37 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2aaq n LYS 302 Cb 1.34 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 2aaq n LYS 302 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2aaq n LEU 303 N -0.94 0.01 0.00 -0.35 4.77 0.15 -4.66 117.00 115.97 2aaq n LEU 303 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2aaq n LEU 303 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2aaq n LEU 303 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2aaq n GLY 304 N 0.01 0.43 3.67 -0.72 0.00 0.18 -4.98 105.19 103.76 2aaq n GLY 304 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2aaq n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aaq s ILE 305 N -2.00 3.11 0.57 -0.61 1.01 -1.20 -4.89 121.20 117.19 2aaq s ILE 305 Ca 0.00 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 2aaq s ILE 305 Cb 0.00 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 2aaq s ILE 305 CO 0.00 -0.02 1.16 -1.58 0.00 0.00 0.00 174.94 174.50 2aaq s GLN 306 N 4.02 3.18 0.10 2.79 0.74 -1.26 -4.47 119.66 124.76 2aaq s GLN 306 Ca 0.83 1.68 -0.18 0.00 0.05 0.00 0.00 55.36 57.73 2aaq s GLN 306 Cb -0.40 -1.97 0.04 0.00 1.10 0.00 0.00 33.01 31.77 2aaq s GLN 306 CO 0.37 -1.00 0.44 0.95 -0.55 0.00 0.00 175.29 175.50 2aaq s THR 307 N -1.74 0.05 0.66 -0.34 -4.23 -1.26 -2.68 115.64 106.11 2aaq s THR 307 Ca 0.74 -0.45 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 2aaq s THR 307 Cb -0.26 -1.07 0.14 0.00 1.34 0.00 0.00 72.50 72.65 2aaq s THR 307 CO 0.30 -0.25 0.90 -0.90 -0.54 0.00 0.00 174.62 174.13 2aaq n ASP 308 N 0.03 0.75 0.24 3.99 5.75 -0.33 -4.89 116.55 122.09 2aaq n ASP 308 Ca -0.17 -1.74 0.10 0.00 -0.01 0.00 0.00 54.79 52.97 2aaq n ASP 308 Cb 0.62 -0.63 0.59 0.00 -1.03 0.00 0.00 41.12 40.68 2aaq n ASP 308 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2aaq h ASP 309 N -0.80 0.00 0.73 -1.12 3.04 -2.03 -1.95 116.42 114.29 2aaq h ASP 309 Ca -0.30 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2aaq h ASP 309 Cb 0.98 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.27 2aaq h ASP 309 CO 0.27 0.19 -0.05 0.29 -2.04 0.00 0.00 179.24 177.90 2aaq n LYS 310 N -3.61 0.23 0.00 4.15 5.02 -1.26 -4.91 118.16 117.78 2aaq n LYS 310 Ca -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2aaq n LYS 310 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2aaq n LYS 310 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aaq n GLY 311 N 1.40 0.48 3.76 0.72 0.00 -0.73 -4.57 105.19 106.25 2aaq n GLY 311 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2aaq n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aaq s HIS 312 N -2.00 2.56 0.01 1.61 3.76 -1.26 -4.66 115.29 115.31 2aaq s HIS 312 Ca 0.00 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.06 2aaq s HIS 312 Cb 0.00 -3.63 -0.04 0.00 1.11 0.00 0.00 32.58 30.02 2aaq s HIS 312 CO 0.00 -2.30 0.94 0.42 -0.85 0.00 0.00 174.74 172.95 2aaq s ILE 313 N -1.39 4.82 0.27 0.60 1.01 -0.61 -1.19 121.20 124.72 2aaq s ILE 313 Ca 0.67 1.97 -0.26 0.00 0.00 0.00 0.00 60.65 63.04 2aaq s ILE 313 Cb -0.36 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.74 2aaq s ILE 313 CO 0.43 0.21 0.89 -0.63 0.00 0.00 0.00 174.94 175.84 2aaq s ILE 314 N 0.77 4.26 0.18 2.92 -1.09 -1.09 -4.43 121.20 122.71 2aaq s ILE 314 Ca 0.49 1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 60.59 2aaq s ILE 314 Cb -0.21 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 2aaq s ILE 314 CO 0.27 0.26 0.32 0.68 -1.23 0.00 0.00 174.94 175.25 2aaq s VAL 315 N -1.47 0.05 0.32 2.92 -7.23 -1.26 -4.26 120.40 109.48 2aaq s VAL 315 Ca 0.46 -1.36 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2aaq s VAL 315 Cb -0.20 -1.90 0.05 0.00 0.56 0.00 0.00 36.38 34.89 2aaq s VAL 315 CO 0.25 -0.23 0.44 -0.90 -0.31 0.00 0.00 175.10 174.35 2aaq n ASP 316 N -0.25 1.22 0.26 4.85 5.68 -0.91 -4.88 116.55 122.51 2aaq n ASP 316 Ca -0.06 -1.87 0.12 0.00 -0.50 0.00 0.00 54.79 52.48 2aaq n ASP 316 Cb 0.63 -0.23 0.64 0.00 -1.14 0.00 0.00 41.12 41.02 2aaq n ASP 316 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2aaq h GLU 317 N 0.00 0.00 -0.60 0.11 4.11 -1.98 0.09 114.58 116.31 2aaq h GLU 317 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2aaq h GLU 317 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2aaq h GLU 317 CO 0.22 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.49 2aaq n PHE 318 N -2.53 1.05 -1.79 2.06 3.72 -1.26 -4.54 117.46 114.18 2aaq n PHE 318 Ca -0.02 -0.56 -0.15 0.00 -0.05 0.00 0.00 57.45 56.68 2aaq n PHE 318 Cb 0.32 -0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 2aaq n PHE 318 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2aaq n GLN 319 N 1.11 -1.08 -3.03 -1.08 1.13 0.02 -4.95 117.38 109.50 2aaq n GLN 319 Ca 0.22 0.89 -0.40 0.00 -1.94 0.00 0.00 57.00 55.77 2aaq n GLN 319 Cb 0.69 -5.09 -0.05 0.00 0.11 0.00 0.00 30.24 25.89 2aaq n GLN 319 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2aaq s ASN 320 N -2.63 7.22 0.91 1.08 0.01 -1.26 -1.48 114.94 118.78 2aaq s ASN 320 Ca 0.00 1.45 -0.09 0.00 -0.71 0.00 0.00 52.86 53.51 2aaq s ASN 320 Cb 0.00 -2.46 0.15 0.00 0.41 0.00 0.00 41.25 39.36 2aaq s ASN 320 CO 0.00 0.09 0.93 0.35 -1.51 0.00 0.00 177.10 176.96 2aaq n THR 321 N 2.44 0.00 1.59 1.60 -2.24 -0.02 -2.14 114.28 115.51 2aaq n THR 321 Ca -0.04 -0.86 0.02 0.00 -2.27 0.00 0.00 64.05 60.90 2aaq n THR 321 Cb 0.50 -1.46 0.13 0.00 -2.10 0.00 0.00 70.33 67.40 2aaq n THR 321 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2aaq n ASN 322 N -3.45 0.00 -3.88 3.42 6.94 -1.26 -4.64 115.26 112.38 2aaq n ASN 322 Ca 0.12 -1.45 -0.23 0.00 -0.02 0.00 0.00 54.58 53.01 2aaq n ASN 322 Cb 0.44 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.69 2aaq n ASN 322 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2aaq s VAL 323 N -2.00 0.68 0.52 3.53 1.01 -1.26 -4.93 120.40 117.94 2aaq s VAL 323 Ca 0.07 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 2aaq s VAL 323 Cb 0.03 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 2aaq s VAL 323 CO 0.05 0.28 0.86 0.29 0.00 0.00 0.00 175.10 176.58 2aaq n LYS 324 N 4.45 0.96 -0.99 2.72 5.02 -1.26 -2.14 118.16 126.92 2aaq n LYS 324 Ca -0.18 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2aaq n LYS 324 Cb 0.51 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2aaq n LYS 324 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aaq n GLY 325 N 1.39 0.31 2.84 0.72 0.00 -1.26 -4.99 105.19 104.21 2aaq n GLY 325 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2aaq n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aaq s ILE 326 N -1.65 0.40 0.38 -0.61 1.01 -0.91 -0.65 121.20 119.18 2aaq s ILE 326 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.68 2aaq s ILE 326 Cb 0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2aaq s ILE 326 CO 0.00 0.21 0.09 -0.31 0.00 0.00 0.00 174.94 174.93 2aaq s TYR 327 N 1.20 1.87 -0.23 3.97 2.02 0.06 -0.84 117.35 125.40 2aaq s TYR 327 Ca -0.07 -1.12 -0.18 0.00 -0.37 0.00 0.00 57.07 55.34 2aaq s TYR 327 Cb -0.14 -1.24 0.06 0.00 -0.40 0.00 0.00 41.96 40.24 2aaq s TYR 327 CO -0.02 -0.13 0.59 0.00 -1.57 0.00 0.00 175.55 174.43 2aaq s ALA 328 N -3.23 -1.52 0.05 3.71 0.00 -0.55 -0.47 121.76 119.75 2aaq s ALA 328 Ca 0.28 1.86 -0.04 0.00 0.00 0.00 0.00 51.96 54.07 2aaq s ALA 328 Cb 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2aaq s ALA 328 CO 0.14 -0.31 0.05 0.14 0.00 0.00 0.00 175.76 175.78 2aaq s VAL 329 N 0.85 0.17 0.00 0.00 -7.23 -1.03 -4.69 120.40 108.47 2aaq s VAL 329 Ca -0.04 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2aaq s VAL 329 Cb -0.05 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.73 2aaq s VAL 329 CO -0.07 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 174.57 2aaq n GLY 330 N 0.45 -1.48 0.27 2.32 0.00 -1.26 -4.44 105.19 101.05 2aaq n GLY 330 Ca -0.17 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 43.85 2aaq n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2aaq h ASP 331 N 0.00 0.10 -0.23 1.61 5.19 -1.89 -2.19 116.42 119.00 2aaq h ASP 331 Ca 0.00 -0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.47 2aaq h ASP 331 Cb 0.00 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 2aaq h ASP 331 CO 0.00 0.09 0.23 1.62 -3.12 0.00 0.00 179.24 178.06 2aaq h VAL 332 N 0.12 0.53 0.00 -1.35 3.04 -1.79 0.54 116.25 117.35 2aaq h VAL 332 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 2aaq h VAL 332 Cb 0.02 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 2aaq h VAL 332 CO -0.00 0.00 -0.38 0.00 -1.01 0.00 0.00 177.57 176.17 2aaq n GLY 334 N 1.34 0.73 3.43 0.00 0.00 0.19 -4.66 105.19 106.23 2aaq n GLY 334 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2aaq n GLY 334 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aaq s LYS 335 N -0.29 3.55 -0.43 1.61 2.20 -1.26 -4.77 119.74 120.35 2aaq s LYS 335 Ca 0.00 -0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 54.87 2aaq s LYS 335 Cb 0.00 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 2aaq s LYS 335 CO 0.00 0.16 0.59 0.00 -0.36 0.00 0.00 175.35 175.73 2aaq n ALA 336 N 3.76 -3.03 -2.87 3.13 0.00 -1.26 -4.87 120.51 115.37 2aaq n ALA 336 Ca -0.18 1.16 -0.44 0.00 0.00 0.00 0.00 53.44 53.99 2aaq n ALA 336 Cb 0.52 -3.73 -0.00 0.00 0.00 0.00 0.00 19.45 16.24 2aaq n ALA 336 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2aaq s LEU 337 N -2.58 4.79 -0.03 0.00 1.43 -1.26 -4.73 118.68 116.30 2aaq s LEU 337 Ca 0.24 -2.81 -0.01 0.00 -1.03 0.00 0.00 54.13 50.52 2aaq s LEU 337 Cb -0.07 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.73 2aaq s LEU 337 CO 0.77 -0.86 0.06 -0.76 0.23 0.00 0.00 176.35 175.80 2aaq s LEU 338 N 2.21 1.39 0.31 1.79 1.43 -1.26 -5.05 118.68 119.50 2aaq s LEU 338 Ca 0.44 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 2aaq s LEU 338 Cb -0.02 0.14 0.66 0.00 0.03 0.00 0.00 46.19 47.01 2aaq s LEU 338 CO 0.01 -0.07 1.85 0.00 0.23 0.00 0.00 176.35 178.36 2aaq h THR 339 N 5.60 0.88 -0.52 5.49 1.03 -2.00 -1.25 112.91 122.14 2aaq h THR 339 Ca -0.34 -0.30 -0.05 0.00 -0.01 0.00 0.00 66.41 65.72 2aaq h THR 339 Cb 1.17 -0.07 -0.02 0.00 -1.07 0.00 0.00 68.15 68.15 2aaq h THR 339 CO 0.47 0.16 0.14 1.55 -0.01 0.00 0.00 175.52 177.82 2aaq h PRO 340 N 0.87 0.78 -0.59 0.00 0.13 -1.97 -0.46 132.00 130.77 2aaq h PRO 340 Ca 0.48 -0.15 -0.05 0.00 -0.87 0.00 0.00 66.00 65.42 2aaq h PRO 340 Cb 0.59 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 2aaq h PRO 340 CO -0.25 0.70 0.19 0.28 -0.23 0.00 0.00 178.00 178.69 2aaq h VAL 341 N 0.76 1.24 -0.27 1.56 2.07 -1.56 0.92 116.25 120.96 2aaq h VAL 341 Ca 0.17 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2aaq h VAL 341 Cb 0.26 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2aaq h VAL 341 CO -0.00 0.31 0.15 0.00 0.02 0.00 0.00 177.57 178.05 2aaq h ALA 342 N 1.06 0.35 0.44 1.67 0.00 -1.02 -0.46 119.26 121.30 2aaq h ALA 342 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2aaq h ALA 342 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2aaq h ALA 342 CO -0.01 -0.12 -0.43 0.82 0.00 0.00 0.00 179.25 179.51 2aaq h ILE 343 N 0.33 0.14 -0.17 0.00 1.08 -0.68 0.49 117.51 118.70 2aaq h ILE 343 Ca 0.10 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 2aaq h ILE 343 Cb 0.06 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 33.90 2aaq h ILE 343 CO -0.02 0.00 -0.18 0.00 -0.69 0.00 0.00 178.15 177.27 2aaq h ALA 344 N -0.57 -0.07 -0.50 1.87 0.00 -0.74 -0.83 119.26 118.41 2aaq h ALA 344 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2aaq h ALA 344 Cb 0.78 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2aaq h ALA 344 CO -0.05 -0.61 0.28 0.00 0.00 0.00 0.00 179.25 178.86 2aaq h ALA 345 N 0.87 0.64 -0.67 0.00 0.00 -0.98 -0.69 119.26 118.44 2aaq h ALA 345 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2aaq h ALA 345 Cb 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2aaq h ALA 345 CO -0.29 -0.04 0.44 0.78 0.00 0.00 0.00 179.25 180.14 2aaq h GLY 346 N 0.55 0.95 0.59 0.00 0.00 -0.40 -2.37 103.07 102.39 2aaq h GLY 346 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2aaq h GLY 346 CO -0.12 0.33 -0.07 3.21 0.00 0.00 0.00 176.54 179.89 2aaq h ARG 347 N 0.89 -0.18 -1.01 4.80 3.08 -0.75 -2.48 114.38 118.73 2aaq h ARG 347 Ca 0.25 0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.54 2aaq h ARG 347 Cb -0.08 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 29.91 2aaq h ARG 347 CO -0.07 0.20 0.62 0.87 -1.07 0.00 0.00 179.97 180.52 2aaq h LYS 348 N -0.60 0.57 0.10 0.04 1.79 -1.12 0.15 116.57 117.51 2aaq h LYS 348 Ca -0.02 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2aaq h LYS 348 Cb 0.46 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2aaq h LYS 348 CO 0.03 0.38 -0.05 1.25 -1.08 0.00 0.00 179.45 179.98 2aaq h LEU 349 N 0.59 -0.12 -0.64 2.94 5.85 -1.31 -0.20 115.31 122.42 2aaq h LEU 349 Ca 0.60 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.36 2aaq h LEU 349 Cb 1.18 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.15 2aaq h LEU 349 CO -0.39 0.01 0.11 0.00 -0.34 0.00 0.00 178.44 177.83 2aaq h ALA 350 N 0.64 0.75 -0.83 1.25 0.00 -0.30 0.19 119.26 120.95 2aaq h ALA 350 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2aaq h ALA 350 Cb 0.20 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2aaq h ALA 350 CO 0.02 -0.33 0.49 0.45 0.00 0.00 0.00 179.25 179.88 2aaq h HIS 351 N 0.23 1.10 0.67 0.00 3.86 -0.65 0.31 115.15 120.67 2aaq h HIS 351 Ca 0.34 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.51 2aaq h HIS 351 Cb 0.54 -0.36 0.01 0.00 1.06 0.00 0.00 27.41 28.66 2aaq h HIS 351 CO -0.28 0.75 -0.32 -0.09 0.86 0.00 0.00 177.93 178.84 2aaq h ARG 352 N 1.14 -0.87 -0.14 2.45 2.43 0.86 0.26 114.38 120.50 2aaq h ARG 352 Ca 0.30 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.49 2aaq h ARG 352 Cb -0.02 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2aaq h ARG 352 CO -0.05 -0.57 -0.09 -0.07 -1.51 0.00 0.00 179.97 177.68 2aaq h LEU 353 N -1.21 0.19 0.00 3.80 3.38 -0.70 -1.55 115.31 119.23 2aaq h LEU 353 Ca -0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2aaq h LEU 353 Cb 0.71 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2aaq h LEU 353 CO 0.15 0.31 -0.85 0.49 0.09 0.00 0.00 178.44 178.63 2aaq n PHE 354 N -4.33 0.00 0.59 1.13 3.72 0.11 -4.49 117.46 114.19 2aaq n PHE 354 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 2aaq n PHE 354 Cb 0.23 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 2aaq n PHE 354 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2aaq n GLU 355 N -1.47 1.93 -3.33 -1.08 2.13 0.84 -5.00 120.64 114.66 2aaq n GLU 355 Ca -0.00 -0.67 -0.18 0.00 0.66 0.00 0.00 57.16 56.97 2aaq n GLU 355 Cb 0.14 -1.18 0.07 0.00 0.27 0.00 0.00 31.44 30.74 2aaq n GLU 355 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2aaq n TYR 356 N -0.25 -2.19 -3.32 4.31 4.01 -0.59 -4.96 117.16 114.16 2aaq n TYR 356 Ca 0.05 0.83 -0.47 0.00 -0.16 0.00 0.00 57.90 58.16 2aaq n TYR 356 Cb 0.27 -4.50 -0.03 0.00 -0.31 0.00 0.00 39.34 34.78 2aaq n TYR 356 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2aaq s LYS 357 N -5.70 3.49 0.00 -0.72 -0.14 -1.16 -4.90 119.74 110.61 2aaq s LYS 357 Ca 0.28 -2.32 0.00 0.00 -1.36 0.00 0.00 55.97 52.58 2aaq s LYS 357 Cb -0.13 -4.41 0.00 0.00 -1.68 0.00 0.00 37.83 31.62 2aaq s LYS 357 CO 0.62 -1.30 0.15 -0.85 -0.76 0.00 0.00 175.35 173.21 2aaq n GLU 358 N 4.23 0.19 0.00 1.68 0.28 -1.26 -0.62 120.64 125.14 2aaq n GLU 358 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2aaq n GLU 358 Cb 0.46 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 32.29 2aaq n GLU 358 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2aaq n ASP 359 N -0.16 1.50 -4.58 -1.84 8.00 -1.26 -5.01 116.55 113.20 2aaq n ASP 359 Ca 0.00 -0.20 -0.40 0.00 0.71 0.00 0.00 54.79 54.90 2aaq n ASP 359 Cb 0.02 0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 2aaq n ASP 359 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2aaq s SER 360 N -1.00 5.01 -0.03 -2.24 0.15 0.21 -4.89 113.70 110.91 2aaq s SER 360 Ca 0.00 1.55 -0.30 0.00 0.70 0.00 0.00 55.95 57.90 2aaq s SER 360 Cb 0.00 -2.51 0.07 0.00 -1.71 0.00 0.00 66.02 61.87 2aaq s SER 360 CO 0.00 -2.36 0.67 -1.59 1.20 0.00 0.00 173.24 171.15 2aaq s LYS 361 N 7.18 1.08 0.12 5.44 -2.85 -1.26 -4.55 119.74 124.90 2aaq s LYS 361 Ca 1.00 0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 55.85 2aaq s LYS 361 Cb -0.26 0.51 -0.06 0.00 -2.06 0.00 0.00 37.83 35.95 2aaq s LYS 361 CO 0.31 -0.35 0.99 -1.17 0.10 0.00 0.00 175.35 175.23 2aaq s LEU 362 N -1.35 4.49 -0.36 2.77 2.96 -1.26 -5.01 118.68 120.92 2aaq s LEU 362 Ca -0.10 1.84 -0.23 0.00 -0.22 0.00 0.00 54.13 55.43 2aaq s LEU 362 Cb -0.00 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.11 2aaq s LEU 362 CO 0.08 -0.10 0.76 -0.62 -1.32 0.00 0.00 176.35 175.14 2aaq s ASP 363 N 0.02 6.54 0.00 3.68 -1.08 -1.26 -4.91 116.67 119.66 2aaq s ASP 363 Ca 0.48 0.34 0.29 0.00 -0.52 0.00 0.00 52.55 53.13 2aaq s ASP 363 Cb -0.24 -2.39 1.21 0.00 -1.46 0.00 0.00 42.92 40.04 2aaq s ASP 363 CO 0.31 -0.70 1.86 -1.22 0.52 0.00 0.00 175.17 175.93 2aaq n TYR 364 N 6.34 0.00 -2.56 -5.34 4.02 -1.26 -4.81 117.16 113.55 2aaq n TYR 364 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.58 2aaq n TYR 364 Cb 0.48 -0.25 -0.04 0.00 -0.02 0.00 0.00 39.34 39.51 2aaq n TYR 364 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2aaq s ASN 365 N -2.62 6.57 -1.50 7.72 0.01 -1.26 -4.01 114.94 119.84 2aaq s ASN 365 Ca 0.25 1.75 -0.10 0.00 -0.71 0.00 0.00 52.86 54.05 2aaq s ASN 365 Cb 0.20 -2.54 0.07 0.00 0.41 0.00 0.00 41.25 39.39 2aaq s ASN 365 CO 0.50 -0.62 0.81 0.59 -1.51 0.00 0.00 177.10 176.87 2aaq n ASN 366 N -1.09 -3.13 -4.66 -1.22 4.13 -1.26 -4.95 115.26 103.08 2aaq n ASN 366 Ca 0.08 -0.87 -0.40 0.00 1.68 0.00 0.00 54.58 55.07 2aaq n ASN 366 Cb 0.53 -3.58 -0.06 0.00 -1.54 0.00 0.00 39.78 35.14 2aaq n ASN 366 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2aaq s ILE 367 N -3.47 5.00 0.32 2.41 1.01 -1.26 -4.77 121.20 120.44 2aaq s ILE 367 Ca 0.45 1.26 -0.26 0.00 0.00 0.00 0.00 60.65 62.10 2aaq s ILE 367 Cb -0.23 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 2aaq s ILE 367 CO 0.85 0.10 0.95 -2.16 0.00 0.00 0.00 174.94 174.68 2aaq s PRO 368 N 1.96 4.58 0.00 2.79 0.04 -1.26 -4.57 135.00 138.53 2aaq s PRO 368 Ca 0.30 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.72 2aaq s PRO 368 Cb -0.16 -2.83 -0.00 0.00 0.04 0.00 0.00 34.50 31.55 2aaq s PRO 368 CO 0.11 0.27 -0.04 0.99 0.04 0.00 0.00 177.00 178.36 2aaq s THR 369 N -1.58 0.32 -0.13 1.26 2.01 0.13 -5.00 115.64 112.66 2aaq s THR 369 Ca 0.50 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.28 2aaq s THR 369 Cb -0.20 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.03 2aaq s THR 369 CO 0.25 0.04 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.31 2aaq s VAL 370 N -0.21 2.10 -0.28 3.82 1.01 -1.26 -0.56 120.40 125.02 2aaq s VAL 370 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 2aaq s VAL 370 Cb -0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2aaq s VAL 370 CO -0.00 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.07 2aaq s VAL 371 N 0.64 4.44 -1.23 2.92 1.01 0.33 -4.94 120.40 123.57 2aaq s VAL 371 Ca -0.11 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 2aaq s VAL 371 Cb -0.16 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2aaq s VAL 371 CO 0.02 0.22 2.20 0.49 0.00 0.00 0.00 175.10 178.04 2aaq n PHE 372 N 4.95 2.79 -1.35 5.22 3.72 -1.26 -0.13 117.46 131.40 2aaq n PHE 372 Ca -0.15 -2.57 0.00 0.00 -0.05 0.00 0.00 57.45 54.68 2aaq n PHE 372 Cb 0.50 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.81 2aaq n PHE 372 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2aaq n SER 373 N 6.15 0.00 -3.59 4.37 3.41 -1.26 -4.63 113.62 118.07 2aaq n SER 373 Ca 0.53 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.86 2aaq n SER 373 Cb 0.36 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.16 2aaq n SER 373 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2aaq s HIS 374 N 1.70 0.45 0.86 7.33 0.09 -1.26 -3.01 115.29 121.45 2aaq s HIS 374 Ca 0.00 -0.79 -0.12 0.00 -0.00 0.00 0.00 55.06 54.15 2aaq s HIS 374 Cb 0.00 -0.92 0.11 0.00 -0.00 0.00 0.00 32.58 31.77 2aaq s HIS 374 CO 0.00 -0.73 1.11 -1.25 -0.00 0.00 0.00 174.74 173.87 2aaq s PRO 375 N 2.05 1.59 0.78 8.40 0.04 -1.26 -4.74 135.00 141.85 2aaq s PRO 375 Ca 0.06 0.53 -0.13 0.00 0.04 0.00 0.00 61.00 61.50 2aaq s PRO 375 Cb -0.16 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.57 2aaq s PRO 375 CO -0.26 -1.94 1.18 -1.25 0.04 0.00 0.00 177.00 174.77 2aaq s PRO 376 N -5.17 1.88 -0.10 0.56 0.04 -1.16 -4.42 135.00 126.63 2aaq s PRO 376 Ca 0.62 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 2aaq s PRO 376 Cb -0.15 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2aaq s PRO 376 CO 0.54 -2.01 -0.03 0.42 0.04 0.00 0.00 177.00 175.96 2aaq s ILE 377 N -2.22 4.00 -0.01 0.56 1.01 0.82 -1.61 121.20 123.73 2aaq s ILE 377 Ca 0.71 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 61.06 2aaq s ILE 377 Cb -0.27 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 2aaq s ILE 377 CO 0.49 0.58 -0.18 -0.83 0.00 0.00 0.00 174.94 175.00 2aaq s GLY 378 N -0.57 0.88 -0.08 6.18 0.00 0.18 -0.51 107.32 113.40 2aaq s GLY 378 Ca 0.09 -0.77 -0.28 0.00 0.00 0.00 0.00 44.72 43.76 2aaq s GLY 378 CO 0.02 -0.64 0.64 -1.08 0.00 0.00 0.00 173.10 172.04 2aaq s THR 379 N -0.42 0.01 -0.11 0.90 -1.32 0.28 -0.78 115.64 114.19 2aaq s THR 379 Ca 0.07 -0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 2aaq s THR 379 Cb -0.07 -0.95 0.08 0.00 -1.51 0.00 0.00 72.50 70.05 2aaq s THR 379 CO -0.01 -0.03 0.75 0.54 -2.21 0.00 0.00 174.62 173.67 2aaq s VAL 380 N -0.95 0.00 0.00 5.08 0.11 -0.19 0.17 120.40 124.63 2aaq s VAL 380 Ca -0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2aaq s VAL 380 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2aaq s VAL 380 CO 0.08 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 2aaq n GLY 381 N 1.22 -1.97 3.86 6.54 0.00 -1.26 -0.40 105.19 113.18 2aaq n GLY 381 Ca -0.17 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 2aaq n GLY 381 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aaq s LEU 382 N 0.00 3.55 0.51 0.99 1.43 0.43 -4.83 118.68 120.76 2aaq s LEU 382 Ca 0.00 1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 54.43 2aaq s LEU 382 Cb 0.00 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 2aaq s LEU 382 CO 0.00 -0.63 0.84 0.42 0.23 0.00 0.00 176.35 177.20 2aaq s THR 383 N -2.75 4.84 0.20 5.49 -4.23 -1.26 -4.29 115.64 113.64 2aaq s THR 383 Ca 0.55 0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 61.25 2aaq s THR 383 Cb -0.10 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 70.07 2aaq s THR 383 CO 0.39 -0.90 1.64 -0.08 -0.54 0.00 0.00 174.62 175.13 2aaq h GLU 384 N 0.11 0.02 -0.49 3.99 4.81 -1.97 0.21 114.58 121.25 2aaq h GLU 384 Ca -0.46 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 2aaq h GLU 384 Cb 1.20 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2aaq h GLU 384 CO 0.62 0.01 0.23 -0.44 -0.73 0.00 0.00 179.01 178.69 2aaq h ASP 385 N 0.02 0.61 0.27 1.04 5.19 -1.99 -0.33 116.42 121.22 2aaq h ASP 385 Ca 0.28 -0.06 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 2aaq h ASP 385 Cb 0.43 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 2aaq h ASP 385 CO -0.57 0.53 -0.47 -0.33 -3.12 0.00 0.00 179.24 175.28 2aaq h GLU 386 N 0.68 0.24 0.11 3.56 5.08 -1.21 -2.91 114.58 120.14 2aaq h GLU 386 Ca 0.17 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2aaq h GLU 386 Cb 0.09 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2aaq h GLU 386 CO -0.02 0.67 -0.05 0.00 -1.00 0.00 0.00 179.01 178.60 2aaq h ALA 387 N 1.32 -0.15 -1.01 3.43 0.00 0.56 -2.66 119.26 120.75 2aaq h ALA 387 Ca 0.01 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 54.96 2aaq h ALA 387 Cb 0.90 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 2aaq h ALA 387 CO 0.07 -0.37 0.61 0.82 0.00 0.00 0.00 179.25 180.38 2aaq h ILE 388 N -0.58 0.54 -0.15 0.00 2.04 -1.08 0.95 117.51 119.23 2aaq h ILE 388 Ca -0.02 -0.20 -0.19 0.00 1.00 0.00 0.00 64.86 65.46 2aaq h ILE 388 Cb 0.46 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2aaq h ILE 388 CO 0.03 0.10 -0.68 -0.74 0.00 0.00 0.00 178.15 176.86 2aaq h HIS 389 N 0.57 0.81 0.00 1.37 2.76 -1.48 0.18 115.15 119.36 2aaq h HIS 389 Ca 0.64 -0.33 -0.18 0.00 -2.20 0.00 0.00 60.37 58.29 2aaq h HIS 389 Cb 1.24 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 30.04 2aaq h HIS 389 CO -0.01 1.11 -0.86 -0.22 -1.30 0.00 0.00 177.93 176.65 2aaq h LYS 390 N 0.44 0.00 0.00 5.26 3.64 -0.72 -3.40 116.57 121.79 2aaq h LYS 390 Ca -0.02 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2aaq h LYS 390 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2aaq h LYS 390 CO 0.13 0.86 -1.17 0.66 -2.27 0.00 0.00 179.45 177.66 2aaq n TYR 391 N -3.35 0.00 0.00 1.91 4.01 0.16 -5.10 117.16 114.79 2aaq n TYR 391 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2aaq n TYR 391 Cb 0.87 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 2aaq n TYR 391 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aaq n GLY 392 N 2.99 2.89 0.36 2.72 0.00 0.62 -4.56 105.19 110.20 2aaq n GLY 392 Ca -0.04 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.56 2aaq n GLY 392 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2aaq n ILE 393 N 1.17 -0.45 0.24 -0.61 5.41 -1.23 0.39 119.36 124.29 2aaq n ILE 393 Ca 0.00 2.26 0.08 0.00 1.00 0.00 0.00 62.75 66.09 2aaq n ILE 393 Cb 0.00 -3.08 0.63 0.00 -0.71 0.00 0.00 39.64 36.48 2aaq n ILE 393 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2aaq h GLU 394 N 0.00 0.03 -0.95 0.38 3.07 -1.93 -2.30 114.58 112.88 2aaq h GLU 394 Ca 0.42 -0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.99 2aaq h GLU 394 Cb 0.67 -0.01 -0.18 0.00 -0.84 0.00 0.00 28.75 28.40 2aaq h GLU 394 CO -1.00 0.02 0.38 0.09 -1.40 0.00 0.00 179.01 177.10 2aaq n ASN 395 N -4.53 3.68 -3.65 1.42 4.13 0.16 -4.85 115.26 111.62 2aaq n ASN 395 Ca -0.02 -3.04 -0.18 0.00 1.68 0.00 0.00 54.58 53.01 2aaq n ASN 395 Cb 0.10 -0.72 -0.16 0.00 -1.54 0.00 0.00 39.78 37.46 2aaq n ASN 395 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2aaq s VAL 396 N -2.30 -0.22 0.03 2.41 1.01 -0.87 -1.93 120.40 118.55 2aaq s VAL 396 Ca 0.40 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.75 2aaq s VAL 396 Cb 0.33 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.36 2aaq s VAL 396 CO 0.08 0.09 -0.24 -0.75 0.00 0.00 0.00 175.10 174.28 2aaq s LYS 397 N 2.25 1.92 0.02 2.72 2.20 -1.04 -4.98 119.74 122.84 2aaq s LYS 397 Ca 0.04 -1.05 0.05 0.00 -0.36 0.00 0.00 55.97 54.65 2aaq s LYS 397 Cb -0.13 -2.04 -0.02 0.00 -1.51 0.00 0.00 37.83 34.13 2aaq s LYS 397 CO -0.06 0.53 -0.16 0.95 -0.36 0.00 0.00 175.35 176.24 2aaq s THR 398 N -0.80 1.31 0.07 3.43 -4.23 -1.26 -1.55 115.64 112.60 2aaq s THR 398 Ca 0.12 -0.93 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 2aaq s THR 398 Cb -0.10 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 2aaq s THR 398 CO 0.02 0.19 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.85 2aaq s TYR 399 N -0.65 2.69 -0.07 3.99 2.02 -0.40 -4.95 117.35 119.98 2aaq s TYR 399 Ca 0.05 -0.18 -0.31 0.00 -0.37 0.00 0.00 57.07 56.26 2aaq s TYR 399 Cb -0.07 -1.47 0.08 0.00 -0.40 0.00 0.00 41.96 40.10 2aaq s TYR 399 CO 0.01 0.36 0.73 -1.54 -1.57 0.00 0.00 175.55 173.54 2aaq s SER 400 N -1.81 -0.62 0.03 2.29 1.04 -1.26 0.11 113.70 113.48 2aaq s SER 400 Ca 0.18 0.68 -0.06 0.00 0.48 0.00 0.00 55.95 57.23 2aaq s SER 400 Cb -0.11 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2aaq s SER 400 CO 0.09 -0.56 0.12 0.28 0.98 0.00 0.00 173.24 174.15 2aaq s THR 401 N -1.15 0.12 -0.01 2.02 -1.32 -0.61 -4.94 115.64 109.75 2aaq s THR 401 Ca -0.09 -1.00 0.02 0.00 -1.21 0.00 0.00 61.69 59.40 2aaq s THR 401 Cb -0.00 -0.82 -0.00 0.00 -1.51 0.00 0.00 72.50 70.17 2aaq s THR 401 CO 0.09 -0.55 -0.06 -0.55 -2.21 0.00 0.00 174.62 171.34 2aaq s SER 402 N -2.00 0.69 0.15 8.08 0.15 -1.26 -1.67 113.70 117.84 2aaq s SER 402 Ca -0.07 -0.10 -0.25 0.00 0.70 0.00 0.00 55.95 56.23 2aaq s SER 402 Cb -0.02 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.25 2aaq s SER 402 CO -0.03 0.06 0.98 0.72 1.20 0.00 0.00 173.24 176.16 2aaq s PHE 403 N -0.04 -0.11 -0.30 3.44 -0.71 -0.75 -4.98 117.98 114.54 2aaq s PHE 403 Ca 0.01 -0.20 -0.10 0.00 -1.04 0.00 0.00 56.93 55.61 2aaq s PHE 403 Cb -0.03 0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 42.40 2aaq s PHE 403 CO -0.00 -0.82 0.15 0.99 -1.34 0.00 0.00 175.22 174.19 2aaq s THR 404 N -3.18 4.69 0.14 -4.49 2.01 -1.26 0.09 115.64 113.64 2aaq s THR 404 Ca 0.13 -0.27 -0.34 0.00 0.31 0.00 0.00 61.69 61.52 2aaq s THR 404 Cb -0.01 -3.33 -0.17 0.00 0.01 0.00 0.00 72.50 69.00 2aaq s THR 404 CO 0.02 0.14 1.10 -2.65 -0.69 0.00 0.00 174.62 172.54 2aaq n PRO 405 N 4.99 0.85 0.00 4.92 -0.02 -1.26 -4.73 135.00 139.75 2aaq n PRO 405 Ca -0.14 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2aaq n PRO 405 Cb 0.50 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 2aaq n PRO 405 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aaq n MET 406 N 1.70 0.00 0.21 -0.52 0.00 -1.26 -0.27 117.12 116.98 2aaq n MET 406 Ca 0.16 0.32 0.06 0.00 0.00 0.00 0.00 57.70 58.24 2aaq n MET 406 Cb 0.21 -1.50 0.45 0.00 0.00 0.00 0.00 33.22 32.38 2aaq n MET 406 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2aaq h TYR 407 N 0.00 0.00 -0.24 3.17 3.20 -2.00 -1.66 116.97 119.44 2aaq h TYR 407 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2aaq h TYR 407 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2aaq h TYR 407 CO 0.00 0.30 0.00 0.72 -1.64 0.00 0.00 178.16 177.54 2aaq n HIS 408 N -3.90 0.31 0.17 -3.82 8.25 0.62 -4.19 115.22 112.67 2aaq n HIS 408 Ca -0.02 -0.16 0.14 0.00 -0.26 0.00 0.00 57.72 57.43 2aaq n HIS 408 Cb 0.38 0.00 0.70 0.00 1.12 0.00 0.00 29.99 32.19 2aaq n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aaq h ALA 409 N 4.08 2.10 -0.30 -1.41 0.00 -1.39 -1.77 119.26 120.57 2aaq h ALA 409 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aaq h ALA 409 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2aaq h ALA 409 CO 0.00 -0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.32 2aaq n VAL 410 N -4.33 1.04 -4.35 0.00 0.24 -1.26 -5.00 118.33 104.67 2aaq n VAL 410 Ca 0.02 -1.03 -0.35 0.00 -2.04 0.00 0.00 64.34 60.94 2aaq n VAL 410 Cb 0.29 0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 33.04 2aaq n VAL 410 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2aaq s THR 411 N -1.06 4.34 0.13 3.34 2.01 -0.67 -4.70 115.64 119.03 2aaq s THR 411 Ca 0.21 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 2aaq s THR 411 Cb 0.11 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.72 2aaq s THR 411 CO 0.13 0.60 1.43 0.11 -0.69 0.00 0.00 174.62 176.20 2aaq h LYS 412 N 5.26 0.90 -6.92 4.92 1.57 -1.94 -3.43 116.57 116.93 2aaq h LYS 412 Ca -0.50 -0.53 -0.50 0.00 -1.87 0.00 0.00 60.65 57.26 2aaq h LYS 412 Cb 1.19 0.04 0.03 0.00 0.08 0.00 0.00 32.23 33.58 2aaq h LYS 412 CO 0.55 1.17 0.47 0.50 -0.57 0.00 0.00 179.45 181.57 2aaq s ARG 413 N -4.25 4.22 0.09 3.15 3.52 -1.26 -5.05 118.95 119.38 2aaq s ARG 413 Ca -0.11 1.72 -0.06 0.00 -0.13 0.00 0.00 55.73 57.16 2aaq s ARG 413 Cb 0.10 -2.74 -0.02 0.00 -1.56 0.00 0.00 34.95 30.73 2aaq s ARG 413 CO 0.89 -0.14 0.13 0.15 -0.81 0.00 0.00 175.30 175.51 2aaq s LYS 414 N -2.18 0.84 -0.21 5.12 1.02 -1.26 -4.92 119.74 118.15 2aaq s LYS 414 Ca 0.54 -1.12 -0.20 0.00 0.02 0.00 0.00 55.97 55.22 2aaq s LYS 414 Cb -0.28 0.30 0.06 0.00 -0.52 0.00 0.00 37.83 37.38 2aaq s LYS 414 CO 0.35 -0.25 0.57 0.95 -0.92 0.00 0.00 175.35 176.06 2aaq s THR 415 N -3.92 -0.00 0.31 2.17 -4.23 -1.26 -4.99 115.64 103.72 2aaq s THR 415 Ca 0.10 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2aaq s THR 415 Cb 0.06 -0.79 0.06 0.00 1.34 0.00 0.00 72.50 73.16 2aaq s THR 415 CO -0.08 0.00 0.43 2.29 -0.54 0.00 0.00 174.62 176.73 2aaq n LYS 416 N 2.83 0.63 -3.79 3.99 2.85 -1.26 -4.28 118.16 119.13 2aaq n LYS 416 Ca -0.14 -1.49 -0.19 0.00 -1.05 0.00 0.00 58.31 55.44 2aaq n LYS 416 Cb 0.56 -0.19 -0.17 0.00 -0.65 0.00 0.00 35.03 34.58 2aaq n LYS 416 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2aaq s VAL 418 N 1.57 2.47 -0.00 0.00 -7.23 0.04 -1.80 120.40 115.44 2aaq s VAL 418 Ca -0.02 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2aaq s VAL 418 Cb -0.13 -1.99 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 2aaq s VAL 418 CO -0.03 0.38 0.02 -0.04 -0.31 0.00 0.00 175.10 175.12 2aaq s MET 419 N -1.26 0.11 -0.06 4.82 -1.94 -0.67 -1.16 119.30 119.14 2aaq s MET 419 Ca 0.13 -0.11 -0.02 0.00 -1.71 0.00 0.00 55.69 53.98 2aaq s MET 419 Cb -0.10 0.04 0.04 0.00 2.01 0.00 0.00 34.83 36.82 2aaq s MET 419 CO 0.03 -0.02 0.12 0.21 -0.01 0.00 0.00 175.02 175.36 2aaq s LYS 420 N -0.34 0.05 -0.17 2.03 2.20 0.11 -1.57 119.74 122.05 2aaq s LYS 420 Ca -0.04 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 2aaq s LYS 420 Cb -0.02 -0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.08 2aaq s LYS 420 CO -0.00 -0.19 -0.16 1.41 -0.36 0.00 0.00 175.35 176.05 2aaq s MET 421 N 1.34 3.15 -0.35 4.03 -2.45 0.12 -1.86 119.30 123.28 2aaq s MET 421 Ca -0.07 -0.76 -0.13 0.00 -1.25 0.00 0.00 55.69 53.47 2aaq s MET 421 Cb -0.12 -2.65 -0.01 0.00 1.25 0.00 0.00 34.83 33.30 2aaq s MET 421 CO -0.05 -0.09 0.25 0.08 1.05 0.00 0.00 175.02 176.26 2aaq s VAL 422 N 1.07 5.28 0.03 10.11 1.01 0.15 -1.27 120.40 136.77 2aaq s VAL 422 Ca -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2aaq s VAL 422 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2aaq s VAL 422 CO -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 175.10 174.98 2aaq s ALA 424 N -1.11 1.11 0.07 0.00 0.00 -0.52 -2.48 121.76 118.83 2aaq s ALA 424 Ca 0.20 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2aaq s ALA 424 Cb -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2aaq s ALA 424 CO 0.11 0.25 0.00 0.09 0.00 0.00 0.00 175.76 176.21 2aaq n ASN 425 N 2.48 -2.03 -0.16 0.00 5.03 -0.81 -1.10 115.26 118.67 2aaq n ASN 425 Ca -0.15 0.33 -0.07 0.00 0.87 0.00 0.00 54.58 55.56 2aaq n ASN 425 Cb 0.55 -0.93 0.01 0.00 -1.02 0.00 0.00 39.78 38.39 2aaq n ASN 425 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2aaq h LYS 426 N 0.00 0.63 0.00 3.52 3.64 -1.98 -1.97 116.57 120.41 2aaq h LYS 426 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2aaq h LYS 426 Cb 0.28 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2aaq h LYS 426 CO 0.00 0.43 0.00 -0.85 -2.27 0.00 0.00 179.45 176.76 2aaq n GLU 427 N -4.74 0.01 -3.55 1.90 0.28 -1.26 -4.90 120.64 108.38 2aaq n GLU 427 Ca 0.02 0.30 -0.20 0.00 -0.16 0.00 0.00 57.16 57.12 2aaq n GLU 427 Cb 0.03 -1.53 0.06 0.00 1.43 0.00 0.00 31.44 31.43 2aaq n GLU 427 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2aaq n GLU 428 N -1.56 -4.80 -1.93 3.44 1.02 -0.74 -4.25 120.64 111.82 2aaq n GLU 428 Ca 0.03 0.71 -0.42 0.00 -0.02 0.00 0.00 57.16 57.46 2aaq n GLU 428 Cb 0.15 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.13 2aaq n GLU 428 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2aaq s LYS 429 N -5.56 4.21 -0.48 3.49 2.20 -0.26 -1.13 119.74 122.21 2aaq s LYS 429 Ca 0.10 2.36 -0.28 0.00 -0.36 0.00 0.00 55.97 57.79 2aaq s LYS 429 Cb -0.02 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2aaq s LYS 429 CO 0.78 -0.61 1.70 0.08 -0.36 0.00 0.00 175.35 176.94 2aaq s VAL 430 N 1.20 3.54 -0.98 4.02 1.01 -0.01 -1.44 120.40 127.74 2aaq s VAL 430 Ca 0.70 0.47 0.16 0.00 0.00 0.00 0.00 61.98 63.31 2aaq s VAL 430 Cb -0.44 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 2aaq s VAL 430 CO 0.31 -0.78 0.72 1.33 0.00 0.00 0.00 175.10 176.69 2aaq n VAL 431 N 7.20 0.00 -3.68 2.92 0.24 0.63 -4.68 118.33 120.95 2aaq n VAL 431 Ca 0.19 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 2aaq n VAL 431 Cb 0.49 1.07 -0.09 0.00 -1.47 0.00 0.00 33.84 33.84 2aaq n VAL 431 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2aaq s GLY 432 N -2.26 -0.43 -0.07 7.63 0.00 -0.93 -0.43 107.32 110.82 2aaq s GLY 432 Ca 0.08 1.69 -0.01 0.00 0.00 0.00 0.00 44.72 46.48 2aaq s GLY 432 CO 0.55 1.58 0.01 -0.42 0.00 0.00 0.00 173.10 174.83 2aaq s ILE 433 N 0.73 0.32 -0.03 0.90 1.01 0.46 0.31 121.20 124.90 2aaq s ILE 433 Ca -0.04 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2aaq s ILE 433 Cb -0.05 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.92 2aaq s ILE 433 CO -0.05 0.23 -0.08 -1.00 0.00 0.00 0.00 174.94 174.04 2aaq s HIS 434 N 1.99 0.88 0.12 3.97 3.76 -0.78 -1.02 115.29 124.22 2aaq s HIS 434 Ca 0.05 -0.22 -0.23 0.00 -0.15 0.00 0.00 55.06 54.51 2aaq s HIS 434 Cb -0.12 -0.65 0.06 0.00 1.11 0.00 0.00 32.58 32.98 2aaq s HIS 434 CO -0.05 -0.10 0.57 0.00 -0.85 0.00 0.00 174.74 174.31 2aaq s MET 435 N 0.26 1.19 -0.03 1.40 0.23 0.04 -0.71 119.30 121.69 2aaq s MET 435 Ca -0.04 -0.38 -0.02 0.00 -1.03 0.00 0.00 55.69 54.22 2aaq s MET 435 Cb -0.09 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 33.78 2aaq s MET 435 CO 0.00 -0.49 0.07 -1.14 -2.03 0.00 0.00 175.02 171.43 2aaq s GLN 436 N -3.28 0.05 0.00 3.16 0.74 -0.31 0.49 119.66 120.51 2aaq s GLN 436 Ca -0.01 0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.56 2aaq s GLN 436 Cb -0.00 -0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.04 2aaq s GLN 436 CO -0.09 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 2aaq n GLY 437 N 3.52 1.72 3.70 2.59 0.00 -0.64 -0.78 105.19 115.30 2aaq n GLY 437 Ca -0.18 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 2aaq n GLY 437 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aaq n LEU 438 N 0.00 3.63 0.00 0.99 4.77 -1.26 -2.32 117.00 122.81 2aaq n LEU 438 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2aaq n LEU 438 Cb 0.00 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 2aaq n LEU 438 CO 0.00 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 2aaq n GLY 439 N 2.38 2.68 0.58 -0.72 0.00 -1.26 -4.88 105.19 103.98 2aaq n GLY 439 Ca 0.11 0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.52 2aaq n GLY 439 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aaq h ASP 441 N 0.00 0.48 -0.12 0.00 2.03 -1.84 -2.75 116.42 114.22 2aaq h ASP 441 Ca 0.65 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.85 2aaq h ASP 441 Cb 2.81 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 41.18 2aaq h ASP 441 CO -0.01 0.59 0.00 -0.62 -1.03 0.00 0.00 179.24 178.18 2aaq n GLU 442 N -4.25 1.96 0.04 4.15 -0.58 0.17 -4.42 120.64 117.72 2aaq n GLU 442 Ca 0.01 -1.83 0.08 0.00 -0.42 0.00 0.00 57.16 54.99 2aaq n GLU 442 Cb 0.28 -1.40 -0.08 0.00 -0.57 0.00 0.00 31.44 29.66 2aaq n GLU 442 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2aaq n MET 443 N 1.17 0.63 -0.03 3.49 1.56 -0.62 -4.59 117.12 118.72 2aaq n MET 443 Ca 0.13 0.03 -0.15 0.00 -0.27 0.00 0.00 57.70 57.45 2aaq n MET 443 Cb 0.52 -1.71 -0.09 0.00 2.15 0.00 0.00 33.22 34.09 2aaq n MET 443 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 2aaq h LEU 444 N 0.00 0.38 -0.92 -0.89 5.85 -1.74 -3.37 115.31 114.62 2aaq h LEU 444 Ca -0.07 -0.63 0.24 0.00 0.84 0.00 0.00 57.88 58.26 2aaq h LEU 444 Cb 1.20 -0.11 -0.17 0.00 0.37 0.00 0.00 40.66 41.95 2aaq h LEU 444 CO 0.01 0.95 0.04 -0.61 -0.34 0.00 0.00 178.44 178.49 2aaq h GLN 445 N -0.17 0.05 -0.39 1.25 5.75 -1.86 0.23 115.11 119.98 2aaq h GLN 445 Ca -0.02 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 2aaq h GLN 445 Cb 0.93 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 2aaq h GLN 445 CO 0.06 0.04 0.13 0.78 -2.65 0.00 0.00 178.83 177.19 2aaq h GLY 446 N 0.06 0.65 1.84 2.39 0.00 -1.89 -2.55 103.07 103.56 2aaq h GLY 446 Ca 0.54 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 2aaq h GLY 446 CO -0.83 0.35 -0.37 0.74 0.00 0.00 0.00 176.54 176.43 2aaq h PHE 447 N 0.49 0.21 -0.59 5.60 0.04 -1.21 -2.70 116.94 118.78 2aaq h PHE 447 Ca 0.13 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2aaq h PHE 447 Cb 0.24 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 2aaq h PHE 447 CO 0.01 0.54 0.33 0.00 -0.60 0.00 0.00 178.31 178.58 2aaq h ALA 448 N 1.46 0.76 -0.32 2.45 0.00 -0.81 0.67 119.26 123.46 2aaq h ALA 448 Ca 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2aaq h ALA 448 Cb 0.74 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2aaq h ALA 448 CO 0.06 0.27 -0.02 0.28 0.00 0.00 0.00 179.25 179.84 2aaq h VAL 449 N 0.80 0.75 -0.48 0.00 2.07 -1.15 -0.06 116.25 118.18 2aaq h VAL 449 Ca 0.21 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 2aaq h VAL 449 Cb 0.03 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2aaq h VAL 449 CO -0.03 0.01 0.30 0.00 0.02 0.00 0.00 177.57 177.86 2aaq h ALA 450 N 1.28 0.61 -0.40 1.67 0.00 -1.15 -2.59 119.26 118.69 2aaq h ALA 450 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2aaq h ALA 450 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2aaq h ALA 450 CO -0.27 0.09 0.22 0.28 0.00 0.00 0.00 179.25 179.57 2aaq h VAL 451 N 0.64 1.12 0.00 0.00 2.07 0.02 -1.42 116.25 118.68 2aaq h VAL 451 Ca 0.17 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2aaq h VAL 451 Cb -0.02 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2aaq h VAL 451 CO -0.03 0.13 0.00 0.50 0.02 0.00 0.00 177.57 178.19 2aaq h LYS 452 N 0.55 0.00 0.00 1.57 3.64 -0.67 -2.68 116.57 118.98 2aaq h LYS 452 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2aaq h LYS 452 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2aaq h LYS 452 CO -0.02 0.00 -0.17 -1.33 -2.27 0.00 0.00 179.45 175.66 2aaq n MET 453 N -2.81 0.00 -0.72 1.90 2.81 -0.59 -4.91 117.12 112.80 2aaq n MET 453 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2aaq n MET 453 Cb 0.45 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 2aaq n MET 453 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2aaq n GLY 454 N 1.50 1.40 3.42 3.03 0.00 -1.01 -5.05 105.19 108.48 2aaq n GLY 454 Ca 0.06 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 2aaq n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aaq n ALA 455 N -1.00 -1.98 -2.57 4.61 0.00 -0.85 -4.74 120.51 113.97 2aaq n ALA 455 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 2aaq n ALA 455 Cb 0.18 -1.79 -0.11 0.00 0.00 0.00 0.00 19.45 17.73 2aaq n ALA 455 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2aaq s THR 456 N -2.01 1.98 0.42 0.00 -4.23 -1.26 -0.83 115.64 109.71 2aaq s THR 456 Ca 0.62 -2.07 0.13 0.00 -1.18 0.00 0.00 61.69 59.19 2aaq s THR 456 Cb -0.32 -2.85 0.33 0.00 1.34 0.00 0.00 72.50 71.00 2aaq s THR 456 CO 0.61 -0.08 1.95 0.50 -0.54 0.00 0.00 174.62 177.07 2aaq h LYS 457 N 1.90 0.46 -0.63 3.99 1.63 -1.30 0.18 116.57 122.80 2aaq h LYS 457 Ca -0.43 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.25 2aaq h LYS 457 Cb 1.24 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 2aaq h LYS 457 CO 0.76 0.30 0.03 0.00 -3.45 0.00 0.00 179.45 177.10 2aaq h ALA 458 N 1.67 0.86 -0.88 5.00 0.00 -1.84 -0.61 119.26 123.46 2aaq h ALA 458 Ca 0.32 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2aaq h ALA 458 Cb 0.59 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2aaq h ALA 458 CO -0.10 0.67 0.58 -0.44 0.00 0.00 0.00 179.25 179.96 2aaq h ASP 459 N 1.00 0.94 -0.01 0.00 3.45 -1.34 0.13 116.42 120.59 2aaq h ASP 459 Ca 0.18 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 2aaq h ASP 459 Cb 0.53 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.09 2aaq h ASP 459 CO 0.03 0.64 -0.01 -0.26 -1.57 0.00 0.00 179.24 178.07 2aaq h PHE 460 N 1.09 0.02 0.00 4.55 -1.00 -1.08 -3.24 116.94 117.27 2aaq h PHE 460 Ca 0.35 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.13 2aaq h PHE 460 Cb 0.04 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2aaq h PHE 460 CO -0.00 0.53 0.00 -0.44 -1.61 0.00 0.00 178.31 176.79 2aaq h ASP 461 N -0.49 0.00 0.11 2.17 3.32 -0.57 -1.70 116.42 119.26 2aaq h ASP 461 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2aaq h ASP 461 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2aaq h ASP 461 CO 0.00 0.00 -0.08 0.59 -1.72 0.00 0.00 179.24 178.04 2aaq n ASN 462 N -2.76 1.02 -4.65 6.45 3.02 0.42 -4.79 115.26 113.97 2aaq n ASN 462 Ca -0.00 -1.14 -0.38 0.00 -0.03 0.00 0.00 54.58 53.03 2aaq n ASN 462 Cb 0.19 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 2aaq n ASN 462 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2aaq s THR 463 N -2.19 5.19 0.22 3.41 2.01 -0.64 -5.04 115.64 118.61 2aaq s THR 463 Ca 0.35 0.66 -0.31 0.00 0.31 0.00 0.00 61.69 62.70 2aaq s THR 463 Cb 0.21 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.90 2aaq s THR 463 CO 0.40 0.22 1.49 -0.69 -0.69 0.00 0.00 174.62 175.36 2aaq s VAL 464 N 1.54 2.61 0.48 3.82 1.01 -1.26 -4.93 120.40 123.66 2aaq s VAL 464 Ca 0.18 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.41 2aaq s VAL 464 Cb -0.15 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 2aaq s VAL 464 CO 0.08 0.06 1.26 0.00 0.00 0.00 0.00 175.10 176.50 2aaq s ALA 465 N 0.38 2.97 -0.73 5.51 0.00 -1.26 -4.98 121.76 123.66 2aaq s ALA 465 Ca 0.63 1.13 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 2aaq s ALA 465 Cb -0.43 -3.47 0.19 0.00 0.00 0.00 0.00 23.12 19.41 2aaq s ALA 465 CO 0.40 -0.94 0.68 0.42 0.00 0.00 0.00 175.76 176.31 2aaq s ILE 466 N -1.41 5.44 -0.09 0.00 1.01 -1.26 -5.05 121.20 119.84 2aaq s ILE 466 Ca 0.65 -2.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.04 2aaq s ILE 466 Cb -0.34 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 2aaq s ILE 466 CO 0.42 -0.97 0.20 -2.28 0.00 0.00 0.00 174.94 172.30 2aaq s HIS 467 N 0.61 3.63 -0.24 3.97 2.46 -1.26 -2.99 115.29 121.46 2aaq s HIS 467 Ca 0.13 0.63 -0.08 0.00 0.47 0.00 0.00 55.06 56.21 2aaq s HIS 467 Cb -0.17 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.23 2aaq s HIS 467 CO -0.05 0.72 0.10 -1.25 -2.47 0.00 0.00 174.74 171.79 2aaq s PRO 468 N -1.04 3.82 0.26 2.88 0.04 -1.26 -5.19 135.00 134.51 2aaq s PRO 468 Ca 0.17 -0.40 0.01 0.00 0.04 0.00 0.00 61.00 60.82 2aaq s PRO 468 Cb -0.13 -3.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 2aaq s PRO 468 CO 0.06 -0.08 0.33 0.25 0.04 0.00 0.00 177.00 177.60 2aaq n THR 469 N 4.65 0.00 -0.02 1.26 -2.24 -1.16 -5.05 114.28 111.72 2aaq n THR 469 Ca -0.16 -1.49 -0.19 0.00 -2.27 0.00 0.00 64.05 59.94 2aaq n THR 469 Cb 0.52 0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 69.47 2aaq n THR 469 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2aaq n SER 470 N -1.82 1.88 -0.34 3.42 7.64 -1.26 -4.19 113.62 118.95 2aaq n SER 470 Ca 0.02 0.18 0.20 0.00 1.01 0.00 0.00 58.87 60.28 2aaq n SER 470 Cb 0.45 -0.64 0.41 0.00 -1.01 0.00 0.00 64.21 63.42 2aaq n SER 470 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2aaq h SER 471 N 0.05 0.62 -0.13 6.43 4.64 -1.93 0.12 113.55 123.35 2aaq h SER 471 Ca -0.43 0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.08 2aaq h SER 471 Cb 2.02 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 64.17 2aaq h SER 471 CO 0.06 0.02 0.17 1.05 -0.87 0.00 0.00 176.83 177.26 2aaq h GLU 472 N 0.50 0.00 0.00 4.77 4.11 -1.78 -0.49 114.58 121.69 2aaq h GLU 472 Ca 0.67 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 60.09 2aaq h GLU 472 Cb 1.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 2aaq h GLU 472 CO -0.52 0.00 -0.06 0.93 0.07 0.00 0.00 179.01 179.43 2aaq h GLU 473 N 0.00 0.00 -0.00 1.06 4.39 -0.99 -2.25 114.58 116.79 2aaq h GLU 473 Ca 0.06 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 2aaq h GLU 473 Cb 0.39 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2aaq h GLU 473 CO -0.00 0.06 -0.62 -0.07 -1.16 0.00 0.00 179.01 177.22 2aaq h LEU 474 N 0.00 0.01 -2.53 1.33 3.38 -1.24 -3.01 115.31 113.26 2aaq h LEU 474 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2aaq h LEU 474 Cb 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2aaq h LEU 474 CO 0.01 0.63 0.00 1.33 0.09 0.00 0.00 178.44 180.50 2aaq n VAL 475 N -3.80 1.11 -1.97 1.22 0.24 -0.86 -4.13 118.33 110.15 2aaq n VAL 475 Ca -0.01 -0.93 0.04 0.00 -2.04 0.00 0.00 64.34 61.40 2aaq n VAL 475 Cb 0.62 0.32 0.06 0.00 -1.47 0.00 0.00 33.84 33.37 2aaq n VAL 475 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2aaq n THR 476 N 1.28 0.64 -2.29 3.34 -2.24 -1.14 -4.28 114.28 109.59 2aaq n THR 476 Ca 0.22 -1.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.37 2aaq n THR 476 Cb 0.63 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 2aaq n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2aaq s LEU 477 N -0.96 4.34 0.00 3.22 1.43 -1.17 -5.01 118.68 120.53 2aaq s LEU 477 Ca 0.23 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2aaq s LEU 477 Cb 0.24 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2aaq s LEU 477 CO -0.07 -0.63 0.46 0.54 0.23 0.00 0.00 176.35 176.89