#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aof s VAL 37 N 0.00 4.65 -0.17 2.53 -7.23 -1.26 -5.08 120.40 113.84 1aof s VAL 37 Ca 0.00 -1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.79 1aof s VAL 37 Cb 0.00 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.33 1aof s VAL 37 CO 0.00 -0.28 0.89 0.00 -0.31 0.00 0.00 175.10 175.40 1aof s ALA 38 N -2.09 3.53 0.25 1.32 0.00 -1.26 -4.84 121.76 118.67 1aof s ALA 38 Ca 0.37 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1aof s ALA 38 Cb -0.09 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1aof s ALA 38 CO 0.28 -0.71 1.42 0.00 0.00 0.00 0.00 175.76 176.75 1aof s ALA 39 N 2.30 3.60 0.58 0.00 0.00 -1.26 -5.01 121.76 121.99 1aof s ALA 39 Ca 0.41 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.55 1aof s ALA 39 Cb -0.17 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 1aof s ALA 39 CO 0.12 -0.72 1.01 -1.25 0.00 0.00 0.00 175.76 174.92 1aof s PRO 40 N -0.51 3.69 0.60 0.00 0.04 -1.26 -5.05 135.00 132.51 1aof s PRO 40 Ca 0.58 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 1aof s PRO 40 Cb -0.41 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1aof s PRO 40 CO 0.44 -0.47 1.03 0.20 0.04 0.00 0.00 177.00 178.24 1aof s GLY 41 N -3.88 1.86 -0.13 0.56 0.00 -1.26 -4.79 107.32 99.69 1aof s GLY 41 Ca 0.56 0.12 -0.08 0.00 0.00 0.00 0.00 44.72 45.32 1aof s GLY 41 CO 0.47 0.41 0.15 0.00 0.00 0.00 0.00 173.10 174.13 1aof s ALA 42 N -2.85 3.84 1.12 3.20 0.00 -1.26 -4.77 121.76 121.03 1aof s ALA 42 Ca 0.58 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 1aof s ALA 42 Cb -0.12 -2.02 0.27 0.00 0.00 0.00 0.00 23.12 21.24 1aof s ALA 42 CO 0.45 0.54 1.24 -2.14 0.00 0.00 0.00 175.76 175.85 1aof s PRO 43 N -0.80 -0.59 0.07 0.00 0.02 -1.26 -4.91 135.00 127.53 1aof s PRO 43 Ca 0.14 -0.38 -0.31 0.00 0.02 0.00 0.00 61.00 60.48 1aof s PRO 43 Cb -0.12 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.62 1aof s PRO 43 CO 0.03 -3.24 1.60 -2.00 -0.33 0.00 0.00 177.00 173.06 1aof s GLU 44 N -5.76 4.22 0.00 5.54 2.56 -1.26 -1.95 118.70 122.05 1aof s GLU 44 Ca 0.75 2.27 0.00 0.00 0.00 0.00 0.00 54.97 57.99 1aof s GLU 44 Cb -0.05 -3.53 0.00 0.00 2.00 0.00 0.00 34.13 32.56 1aof s GLU 44 CO 0.55 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.97 1aof n GLY 45 N 3.90 2.89 3.73 -1.50 0.00 -1.26 -5.02 105.19 107.93 1aof n GLY 45 Ca 0.15 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1aof n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aof s VAL 46 N -1.40 4.54 0.36 1.61 1.01 -0.83 -5.04 120.40 120.66 1aof s VAL 46 Ca 0.00 2.05 -0.25 0.00 0.00 0.00 0.00 61.98 63.78 1aof s VAL 46 Cb 0.00 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 1aof s VAL 46 CO 0.00 0.31 0.98 -0.89 0.00 0.00 0.00 175.10 175.50 1aof s THR 47 N 0.08 4.07 0.35 3.92 2.01 -1.26 -4.35 115.64 120.46 1aof s THR 47 Ca 0.47 1.62 -0.08 0.00 0.31 0.00 0.00 61.69 64.02 1aof s THR 47 Cb -0.23 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 1aof s THR 47 CO 0.29 0.05 0.66 0.00 -0.69 0.00 0.00 174.62 174.94 1aof s ALA 48 N -1.69 3.48 0.01 7.40 0.00 -1.26 -4.80 121.76 124.91 1aof s ALA 48 Ca 0.54 -0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.19 1aof s ALA 48 Cb -0.19 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1aof s ALA 48 CO 0.24 0.11 -0.24 -0.51 0.00 0.00 0.00 175.76 175.36 1aof s LEU 49 N -3.72 2.23 0.87 0.00 1.43 -1.26 -5.08 118.68 113.16 1aof s LEU 49 Ca 0.48 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1aof s LEU 49 Cb -0.10 -1.36 0.12 0.00 0.03 0.00 0.00 46.19 44.87 1aof s LEU 49 CO 0.31 0.29 1.10 -0.94 0.23 0.00 0.00 176.35 177.34 1aof s SER 50 N -0.98 3.53 0.35 2.29 1.04 -1.26 -4.67 113.70 113.99 1aof s SER 50 Ca 0.11 1.81 0.06 0.00 0.48 0.00 0.00 55.95 58.41 1aof s SER 50 Cb -0.10 -2.42 0.71 0.00 0.10 0.00 0.00 66.02 64.31 1aof s SER 50 CO 0.01 -2.65 1.92 0.44 0.98 0.00 0.00 173.24 173.94 1aof h ASP 51 N -1.56 0.72 0.18 7.02 3.32 -1.97 0.11 116.42 124.23 1aof h ASP 51 Ca -0.46 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1aof h ASP 51 Cb 1.26 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1aof h ASP 51 CO 0.49 0.44 -0.08 0.00 -1.72 0.00 0.00 179.24 178.37 1aof h ALA 52 N 1.58 -0.24 0.13 3.45 0.00 -1.97 -2.10 119.26 120.11 1aof h ALA 52 Ca 0.37 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1aof h ALA 52 Cb 0.37 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1aof h ALA 52 CO -0.14 -0.49 -0.23 1.96 0.00 0.00 0.00 179.25 180.35 1aof h GLN 53 N -0.52 -0.42 -0.57 0.00 4.20 -1.71 -1.93 115.11 114.17 1aof h GLN 53 Ca -0.02 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1aof h GLN 53 Cb 0.40 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 1aof h GLN 53 CO 0.04 -0.28 0.27 -0.92 -0.67 0.00 0.00 178.83 177.27 1aof h TYR 54 N -0.43 0.49 0.00 2.96 3.20 -0.84 -0.27 116.97 122.08 1aof h TYR 54 Ca 0.02 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1aof h TYR 54 Cb 0.45 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1aof h TYR 54 CO -0.21 0.21 -0.27 -0.91 -1.64 0.00 0.00 178.16 175.34 1aof h ASN 55 N 0.51 0.00 0.10 -2.11 2.35 -1.21 0.18 115.58 115.40 1aof h ASN 55 Ca 0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1aof h ASN 55 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1aof h ASN 55 CO -0.21 0.27 -0.05 -0.08 -1.65 0.00 0.00 177.43 175.71 1aof h GLU 56 N 0.00 -0.14 -0.16 0.81 4.81 -0.42 -2.46 114.58 117.02 1aof h GLU 56 Ca -0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1aof h GLU 56 Cb 0.52 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1aof h GLU 56 CO 0.03 0.30 -0.06 0.00 -0.73 0.00 0.00 179.01 178.55 1aof h ALA 57 N 0.18 1.59 -0.53 2.92 0.00 -0.85 -2.70 119.26 119.87 1aof h ALA 57 Ca -0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1aof h ALA 57 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1aof h ALA 57 CO 0.02 0.30 -0.13 -0.97 0.00 0.00 0.00 179.25 178.48 1aof h ASN 58 N 0.24 1.01 -0.33 0.00 -1.24 -0.57 -1.77 115.58 112.93 1aof h ASN 58 Ca 0.05 -0.34 -0.15 0.00 0.71 0.00 0.00 56.30 56.57 1aof h ASN 58 Cb 0.27 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1aof h ASN 58 CO 0.01 1.13 -0.37 0.11 -1.29 0.00 0.00 177.43 177.02 1aof h LYS 59 N 0.89 0.87 -0.54 6.67 1.57 -1.13 -0.87 116.57 124.04 1aof h LYS 59 Ca 0.13 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1aof h LYS 59 Cb 0.69 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1aof h LYS 59 CO 0.05 1.09 0.24 0.82 -0.57 0.00 0.00 179.45 181.08 1aof h ILE 60 N 0.72 1.21 0.38 1.86 2.04 -1.43 -1.60 117.51 120.70 1aof h ILE 60 Ca 0.06 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1aof h ILE 60 Cb 0.95 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1aof h ILE 60 CO 0.09 0.24 -0.18 0.22 0.00 0.00 0.00 178.15 178.52 1aof h TYR 61 N 0.73 -0.48 -0.04 1.37 3.20 -1.11 0.01 116.97 120.65 1aof h TYR 61 Ca 0.18 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1aof h TYR 61 Cb 0.16 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1aof h TYR 61 CO 0.00 -0.21 -0.02 0.74 -1.64 0.00 0.00 178.16 177.04 1aof h PHE 62 N -0.68 0.05 0.16 -3.82 0.04 -1.12 0.14 116.94 111.71 1aof h PHE 62 Ca -0.05 -0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.45 1aof h PHE 62 Cb 0.48 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.63 1aof h PHE 62 CO -0.01 0.08 -1.30 0.93 -0.60 0.00 0.00 178.31 177.40 1aof h GLU 63 N 0.05 0.33 0.00 1.51 5.08 -1.22 -3.39 114.58 116.95 1aof h GLU 63 Ca 0.01 -0.57 -0.38 0.00 -1.00 0.00 0.00 59.36 57.42 1aof h GLU 63 Cb 0.07 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1aof h GLU 63 CO 0.00 1.27 -2.15 0.54 -1.00 0.00 0.00 179.01 177.68 1aof n ARG 64 N -3.90 0.58 0.01 2.33 1.74 -0.02 -4.78 116.66 112.61 1aof n ARG 64 Ca -0.20 0.33 -0.10 0.00 -0.77 0.00 0.00 57.85 57.11 1aof n ARG 64 Cb 0.94 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.70 1aof n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aof h ALA 66 N 0.90 2.34 -0.27 0.00 0.00 -1.12 -1.38 119.26 119.73 1aof h ALA 66 Ca -0.23 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1aof h ALA 66 Cb 1.96 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1aof h ALA 66 CO 0.10 -0.83 0.13 0.78 0.00 0.00 0.00 179.25 179.42 1aof h GLY 67 N 0.30 0.40 0.00 0.00 0.00 -1.85 0.16 103.07 102.08 1aof h GLY 67 Ca 0.68 -0.17 -0.36 0.00 0.00 0.00 0.00 47.33 47.48 1aof h GLY 67 CO -0.37 0.16 -2.37 0.00 0.00 0.00 0.00 176.54 173.96 1aof n HIS 69 N -3.03 0.00 0.00 0.00 8.25 -0.78 -0.15 115.22 119.52 1aof n HIS 69 Ca -0.39 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1aof n HIS 69 Cb 1.03 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 32.09 1aof n HIS 69 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aof n GLY 70 N 1.35 -1.66 0.29 -1.41 0.00 0.55 0.35 105.19 104.67 1aof n GLY 70 Ca 0.12 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 45.01 1aof n GLY 70 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1aof h VAL 71 N 0.00 0.87 -0.63 1.61 2.07 -1.92 0.12 116.25 118.38 1aof h VAL 71 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1aof h VAL 71 Cb 0.00 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1aof h VAL 71 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1aof n LEU 72 N -4.40 5.19 -0.48 2.57 4.77 -1.26 -4.84 117.00 118.55 1aof n LEU 72 Ca 0.00 -2.63 -0.06 0.00 -0.03 0.00 0.00 56.01 53.29 1aof n LEU 72 Cb 0.22 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1aof n LEU 72 CO 0.34 0.74 -0.06 0.54 -1.33 0.00 0.00 177.39 177.62 1aof n ARG 73 N 0.95 -1.84 0.10 3.23 1.74 0.43 -4.81 116.66 116.47 1aof n ARG 73 Ca 0.27 0.70 0.11 0.00 -0.77 0.00 0.00 57.85 58.16 1aof n ARG 73 Cb 1.02 -5.13 0.46 0.00 -1.02 0.00 0.00 32.46 27.78 1aof n ARG 73 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1aof n LYS 74 N -0.02 0.16 0.00 5.56 4.01 -1.18 -1.21 118.16 125.47 1aof n LYS 74 Ca -0.06 0.39 0.00 0.00 -0.51 0.00 0.00 58.31 58.13 1aof n LYS 74 Cb 0.54 -1.80 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 1aof n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aof n GLY 75 N 0.00 -0.32 0.00 0.72 0.00 0.16 -4.38 105.19 101.37 1aof n GLY 75 Ca 0.02 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1aof n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aof n ALA 76 N 0.13 0.00 -0.12 4.61 0.00 -1.06 -4.60 120.51 119.47 1aof n ALA 76 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1aof n ALA 76 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1aof n ALA 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1aof n THR 77 N -0.19 1.50 -3.76 0.00 -1.04 0.63 -4.83 114.28 106.59 1aof n THR 77 Ca 0.00 -0.90 -0.10 0.00 -2.04 0.00 0.00 64.05 61.01 1aof n THR 77 Cb 0.00 -0.07 -0.04 0.00 -1.82 0.00 0.00 70.33 68.40 1aof n THR 77 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1aof s GLY 78 N -0.73 -0.04 0.79 3.41 0.00 0.79 -4.86 107.32 106.68 1aof s GLY 78 Ca 0.38 -0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.69 1aof s GLY 78 CO 0.17 -0.33 1.15 0.54 0.00 0.00 0.00 173.10 174.63 1aof s LYS 79 N -3.88 1.88 0.01 2.90 -0.14 -1.26 -4.54 119.74 114.71 1aof s LYS 79 Ca 0.10 1.51 -0.30 0.00 -1.36 0.00 0.00 55.97 55.91 1aof s LYS 79 Cb -0.00 -1.83 -0.05 0.00 -1.68 0.00 0.00 37.83 34.27 1aof s LYS 79 CO -0.03 -1.98 1.27 0.00 -0.76 0.00 0.00 175.35 173.85 1aof s ALA 80 N -2.46 3.49 -0.40 5.17 0.00 -1.26 -4.41 121.76 121.90 1aof s ALA 80 Ca 0.68 0.80 0.05 0.00 0.00 0.00 0.00 51.96 53.50 1aof s ALA 80 Cb -0.23 -3.52 0.52 0.00 0.00 0.00 0.00 23.12 19.90 1aof s ALA 80 CO 0.51 -0.68 1.63 1.28 0.00 0.00 0.00 175.76 178.50 1aof n LEU 81 N 4.73 5.50 -4.78 0.00 4.77 -0.35 -4.84 117.00 122.03 1aof n LEU 81 Ca 0.11 -4.00 -0.34 0.00 -0.03 0.00 0.00 56.01 51.75 1aof n LEU 81 Cb 0.45 -0.70 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1aof n LEU 81 CO 0.56 1.39 0.75 0.42 -1.33 0.00 0.00 177.39 179.18 1aof s THR 82 N -3.77 3.44 0.20 -5.08 -4.23 -1.21 -4.73 115.64 100.26 1aof s THR 82 Ca 0.52 0.79 -0.20 0.00 -1.18 0.00 0.00 61.69 61.62 1aof s THR 82 Cb 0.44 -3.29 0.16 0.00 1.34 0.00 0.00 72.50 71.15 1aof s THR 82 CO 0.02 -0.29 1.57 -0.65 -0.54 0.00 0.00 174.62 174.73 1aof h PRO 83 N 0.82 -0.09 -0.58 3.99 0.11 -1.84 -0.66 132.00 133.75 1aof h PRO 83 Ca -0.48 0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.80 1aof h PRO 83 Cb 1.24 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1aof h PRO 83 CO 0.57 -0.06 0.60 0.38 -0.21 0.00 0.00 178.00 179.28 1aof h ASP 84 N -0.10 0.00 0.01 -2.05 2.03 -1.95 0.01 116.42 114.38 1aof h ASP 84 Ca 0.27 0.00 -0.40 0.00 -0.73 0.00 0.00 57.03 56.17 1aof h ASP 84 Cb 0.57 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.01 1aof h ASP 84 CO -0.82 0.00 -2.32 0.18 -1.03 0.00 0.00 179.24 175.25 1aof n LEU 85 N -3.68 2.34 -0.22 0.15 4.77 -0.35 -4.37 117.00 115.65 1aof n LEU 85 Ca 0.11 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1aof n LEU 85 Cb 0.82 -0.90 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1aof n LEU 85 CO 0.28 0.69 1.11 0.71 -1.33 0.00 0.00 177.39 178.85 1aof h THR 86 N -0.57 1.17 -0.44 -5.08 1.35 -0.70 -2.83 112.91 105.81 1aof h THR 86 Ca -0.60 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1aof h THR 86 Cb 1.71 0.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 1aof h THR 86 CO -0.24 0.17 0.28 0.03 -0.25 0.00 0.00 175.52 175.51 1aof h ARG 87 N 0.83 0.58 -0.38 4.72 3.08 -1.25 -1.84 114.38 120.12 1aof h ARG 87 Ca 0.22 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 1aof h ARG 87 Cb -0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1aof h ARG 87 CO -0.04 0.39 -0.30 -0.44 -1.07 0.00 0.00 179.97 178.50 1aof h ASP 88 N 0.60 0.85 -0.64 7.04 5.19 -1.70 -3.06 116.42 124.69 1aof h ASP 88 Ca 0.16 -0.35 -0.07 0.00 -0.62 0.00 0.00 57.03 56.16 1aof h ASP 88 Cb -0.06 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.19 1aof h ASP 88 CO -0.03 1.09 0.15 -0.07 -3.12 0.00 0.00 179.24 177.25 1aof h LEU 89 N 0.69 0.99 0.00 1.55 3.38 -1.22 -3.49 115.31 117.21 1aof h LEU 89 Ca 0.08 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1aof h LEU 89 Cb 0.85 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1aof h LEU 89 CO 0.07 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.19 1aof n GLY 90 N -0.63 -0.21 0.00 0.83 0.00 -0.78 -4.36 105.19 100.04 1aof n GLY 90 Ca 0.04 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1aof n GLY 90 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1aof n PHE 91 N -0.01 0.00 -0.35 1.61 7.35 -1.26 -2.41 117.46 122.39 1aof n PHE 91 Ca 0.00 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 56.91 1aof n PHE 91 Cb 0.00 -0.49 0.46 0.00 0.35 0.00 0.00 39.48 39.80 1aof n PHE 91 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1aof h ASP 92 N 0.00 0.54 -0.06 -2.13 3.32 -1.98 0.16 116.42 116.26 1aof h ASP 92 Ca 0.00 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1aof h ASP 92 Cb 0.00 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1aof h ASP 92 CO 0.00 -0.01 0.03 0.22 -1.72 0.00 0.00 179.24 177.77 1aof h TYR 93 N 0.41 0.09 0.06 4.55 5.03 -1.70 -1.09 116.97 124.32 1aof h TYR 93 Ca 0.68 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.99 1aof h TYR 93 Cb 1.55 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.81 1aof h TYR 93 CO -0.01 0.14 -0.03 -0.07 -1.32 0.00 0.00 178.16 176.88 1aof h LEU 94 N 0.01 -0.07 -1.12 2.82 3.38 -0.60 -2.49 115.31 117.24 1aof h LEU 94 Ca 0.02 -0.21 0.24 0.00 0.09 0.00 0.00 57.88 58.03 1aof h LEU 94 Cb 0.08 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 1aof h LEU 94 CO -0.00 0.17 0.62 -0.61 0.09 0.00 0.00 178.44 178.71 1aof h GLN 95 N -0.30 0.53 0.21 1.13 4.15 -0.70 -1.05 115.11 119.08 1aof h GLN 95 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1aof h GLN 95 Cb 0.27 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1aof h GLN 95 CO 0.01 0.35 -0.10 0.66 -1.93 0.00 0.00 178.83 177.83 1aof h SER 96 N 0.55 -0.24 -0.95 -0.69 4.64 -1.08 -2.81 113.55 112.98 1aof h SER 96 Ca 0.62 -0.26 0.25 0.00 -0.47 0.00 0.00 61.79 61.93 1aof h SER 96 Cb 1.26 0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.36 1aof h SER 96 CO -0.40 0.28 0.66 0.15 -0.87 0.00 0.00 176.83 176.65 1aof h PHE 97 N -0.93 0.26 -0.06 4.77 3.04 -0.95 0.99 116.94 124.07 1aof h PHE 97 Ca -0.03 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.85 1aof h PHE 97 Cb 0.49 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1aof h PHE 97 CO 0.06 0.05 -0.28 0.82 -2.02 0.00 0.00 178.31 176.95 1aof h ILE 98 N 0.18 1.44 -0.06 1.41 2.04 -1.25 -2.28 117.51 118.99 1aof h ILE 98 Ca 0.48 -1.71 -0.20 0.00 1.00 0.00 0.00 64.86 64.42 1aof h ILE 98 Cb 1.58 2.38 0.01 0.00 -0.74 0.00 0.00 36.82 40.06 1aof h ILE 98 CO -0.10 0.49 -0.75 0.74 0.00 0.00 0.00 178.15 178.53 1aof h THR 99 N -0.23 1.33 0.05 -0.27 2.02 -0.90 -2.01 112.91 112.89 1aof h THR 99 Ca -0.02 -2.04 -0.36 0.00 0.77 0.00 0.00 66.41 64.76 1aof h THR 99 Cb 0.93 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 69.60 1aof h THR 99 CO 0.06 0.62 -2.12 -1.22 0.37 0.00 0.00 175.52 173.23 1aof n TYR 100 N -4.05 0.70 -2.79 3.16 4.01 0.21 -0.87 117.16 117.52 1aof n TYR 100 Ca -0.09 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1aof n TYR 100 Cb 0.73 -1.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 1aof n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aof n ALA 101 N -2.95 0.00 -3.76 -0.72 0.00 -0.86 -4.32 120.51 107.91 1aof n ALA 101 Ca -0.33 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.06 1aof n ALA 101 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.48 1aof n ALA 101 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1aof s SER 102 N -4.00 -0.23 0.21 0.00 1.04 -0.40 -4.83 113.70 105.48 1aof s SER 102 Ca 0.00 -0.43 0.12 0.00 0.48 0.00 0.00 55.95 56.11 1aof s SER 102 Cb 0.00 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 1aof s SER 102 CO 0.00 -1.04 1.39 -0.65 0.98 0.00 0.00 173.24 173.92 1aof h PRO 103 N 2.00 0.00 0.00 4.02 0.11 -1.97 -3.34 132.00 132.83 1aof h PRO 103 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1aof h PRO 103 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1aof h PRO 103 CO 0.25 0.72 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1aof h ALA 104 N 1.28 1.00 0.00 -0.75 0.00 -2.05 -3.45 119.26 115.29 1aof h ALA 104 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aof h ALA 104 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1aof h ALA 104 CO 0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1aof n GLY 105 N -0.43 0.52 3.66 0.00 0.00 -1.25 -5.12 105.19 102.57 1aof n GLY 105 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1aof n GLY 105 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1aof s MET 106 N 0.00 4.18 0.62 1.61 -2.45 -1.26 -4.97 119.30 117.03 1aof s MET 106 Ca 0.00 1.68 -0.16 0.00 -1.25 0.00 0.00 55.69 55.96 1aof s MET 106 Cb 0.00 -3.82 -0.02 0.00 1.25 0.00 0.00 34.83 32.25 1aof s MET 106 CO 0.00 -0.79 1.11 -2.14 1.05 0.00 0.00 175.02 174.25 1aof s PRO 107 N 3.69 3.01 -1.24 4.11 0.02 -1.26 -1.28 135.00 142.03 1aof s PRO 107 Ca 0.58 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 62.87 1aof s PRO 107 Cb -0.23 -1.98 0.15 0.00 0.02 0.00 0.00 34.50 32.46 1aof s PRO 107 CO 0.18 -1.09 1.57 0.27 -0.33 0.00 0.00 177.00 177.59 1aof n ASN 108 N -2.09 5.12 -0.24 2.53 6.94 -1.26 -4.06 115.26 122.19 1aof n ASN 108 Ca 0.10 -2.97 -0.01 0.00 -0.02 0.00 0.00 54.58 51.67 1aof n ASN 108 Cb 0.52 -1.60 0.18 0.00 -2.36 0.00 0.00 39.78 36.52 1aof n ASN 108 CO 0.00 0.00 0.00 -0.50 -1.03 0.00 0.00 177.26 175.73 1aof h TRP 109 N 7.06 1.03 0.14 -2.53 4.06 -1.48 -1.72 115.95 122.52 1aof h TRP 109 Ca 0.36 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.29 1aof h TRP 109 Cb 0.84 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1aof h TRP 109 CO 1.20 0.71 -0.07 0.78 -3.56 0.00 0.00 178.44 177.49 1aof h GLY 110 N 1.10 -0.20 1.92 1.49 0.00 -1.16 -0.61 103.07 105.61 1aof h GLY 110 Ca 0.27 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1aof h GLY 110 CO -0.05 -0.07 -0.07 -0.91 0.00 0.00 0.00 176.54 175.44 1aof h THR 111 N -1.00 1.10 0.00 4.70 1.35 -1.07 -1.61 112.91 116.38 1aof h THR 111 Ca -0.02 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1aof h THR 111 Cb 0.36 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1aof h THR 111 CO 0.03 0.13 0.00 0.77 -0.25 0.00 0.00 175.52 176.20 1aof h SER 112 N 0.10 0.00 0.00 5.36 4.64 -1.45 -3.46 113.55 118.74 1aof h SER 112 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1aof h SER 112 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1aof h SER 112 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1aof n GLY 113 N 0.44 0.72 0.29 -0.77 0.00 -0.60 -4.92 105.19 100.33 1aof n GLY 113 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1aof n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aof h GLU 114 N 2.50 0.86 -4.54 1.61 4.39 -1.65 -3.41 114.58 114.34 1aof h GLU 114 Ca 0.00 -0.27 -0.56 0.00 0.34 0.00 0.00 59.36 58.87 1aof h GLU 114 Cb 0.00 -0.08 -0.35 0.00 -0.10 0.00 0.00 28.75 28.21 1aof h GLU 114 CO 0.00 0.89 -0.82 -0.51 -1.16 0.00 0.00 179.01 177.41 1aof s LEU 115 N -9.15 1.54 0.92 1.33 1.43 -0.28 -5.04 118.68 109.43 1aof s LEU 115 Ca -0.10 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1aof s LEU 115 Cb 0.14 -0.99 0.14 0.00 0.03 0.00 0.00 46.19 45.51 1aof s LEU 115 CO 0.83 -0.04 1.09 -0.94 0.23 0.00 0.00 176.35 177.52 1aof s SER 116 N 1.24 3.23 0.22 2.29 1.04 -1.26 -4.34 113.70 116.12 1aof s SER 116 Ca -0.02 1.49 -0.14 0.00 0.48 0.00 0.00 55.95 57.76 1aof s SER 116 Cb -0.14 -2.16 0.25 0.00 0.10 0.00 0.00 66.02 64.07 1aof s SER 116 CO -0.04 -2.79 1.61 0.00 0.98 0.00 0.00 173.24 172.99 1aof h ALA 117 N -1.65 0.38 0.27 5.32 0.00 -1.98 -0.12 119.26 121.47 1aof h ALA 117 Ca -0.50 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1aof h ALA 117 Cb 1.29 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1aof h ALA 117 CO 0.54 -0.46 -0.18 0.93 0.00 0.00 0.00 179.25 180.08 1aof h GLU 118 N -0.03 -0.42 -0.98 0.00 5.08 -2.00 -2.07 114.58 114.17 1aof h GLU 118 Ca 0.32 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.88 1aof h GLU 118 Cb 0.52 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1aof h GLU 118 CO -0.71 -0.28 0.61 1.96 -1.00 0.00 0.00 179.01 179.59 1aof h GLN 119 N -0.44 0.74 0.19 2.33 4.20 -1.62 0.10 115.11 120.61 1aof h GLN 119 Ca -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1aof h GLN 119 Cb 0.38 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1aof h GLN 119 CO 0.01 0.49 -0.09 0.28 -0.67 0.00 0.00 178.83 178.85 1aof h VAL 120 N 0.76 0.87 -0.76 -0.54 2.07 -0.60 0.14 116.25 118.20 1aof h VAL 120 Ca 0.53 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.78 1aof h VAL 120 Cb 0.82 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1aof h VAL 120 CO -0.30 0.06 0.50 0.44 0.02 0.00 0.00 177.57 178.30 1aof h ASP 121 N -0.38 0.86 0.15 0.57 3.32 -0.58 0.92 116.42 121.29 1aof h ASP 121 Ca -0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1aof h ASP 121 Cb 0.30 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1aof h ASP 121 CO 0.04 0.62 -0.07 0.25 -1.72 0.00 0.00 179.24 178.36 1aof h LEU 122 N 1.02 -0.17 -1.18 1.55 6.46 -0.54 -1.64 115.31 120.81 1aof h LEU 122 Ca 0.28 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.97 1aof h LEU 122 Cb -0.11 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1aof h LEU 122 CO -0.06 -0.09 0.06 0.24 -0.62 0.00 0.00 178.44 177.96 1aof h MET 123 N -0.24 0.62 -0.55 1.25 2.86 -0.33 0.99 114.93 119.54 1aof h MET 123 Ca -0.02 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 1aof h MET 123 Cb 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1aof h MET 123 CO 0.03 0.61 0.01 0.00 1.06 0.00 0.00 176.91 178.62 1aof h ALA 124 N 1.46 0.99 0.05 6.32 0.00 -0.56 -1.64 119.26 125.88 1aof h ALA 124 Ca 0.13 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.50 1aof h ALA 124 Cb 0.30 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1aof h ALA 124 CO 0.00 0.62 -1.08 -0.97 0.00 0.00 0.00 179.25 177.83 1aof h ASN 125 N 0.86 0.65 -0.70 0.00 -1.24 -0.81 -3.23 115.58 111.11 1aof h ASN 125 Ca 0.16 -0.56 0.07 0.00 0.71 0.00 0.00 56.30 56.68 1aof h ASN 125 Cb 0.49 -0.20 -0.06 0.00 0.73 0.00 0.00 38.32 39.28 1aof h ASN 125 CO 0.02 1.38 0.39 0.22 -1.29 0.00 0.00 177.43 178.15 1aof h TYR 126 N 0.24 0.70 0.00 0.67 5.03 -0.61 -1.18 116.97 121.83 1aof h TYR 126 Ca -0.12 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.21 1aof h TYR 126 Cb 1.74 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 39.81 1aof h TYR 126 CO 0.08 0.32 -0.00 -0.07 -1.32 0.00 0.00 178.16 177.17 1aof h LEU 127 N 0.70 0.00 0.00 2.82 3.38 -1.32 -0.16 115.31 120.73 1aof h LEU 127 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1aof h LEU 127 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1aof h LEU 127 CO -0.20 0.00 -0.36 0.18 0.09 0.00 0.00 178.44 178.15 1aof n LEU 128 N -3.11 0.51 -4.95 1.67 4.77 -0.45 -4.48 117.00 110.95 1aof n LEU 128 Ca -0.02 0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 1aof n LEU 128 Cb 0.13 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1aof n LEU 128 CO 0.22 -0.01 0.11 -0.76 -1.33 0.00 0.00 177.39 175.62 1aof s LEU 129 N -3.64 4.10 0.49 2.23 1.43 -0.07 -4.88 118.68 118.34 1aof s LEU 129 Ca 0.10 0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.30 1aof s LEU 129 Cb 0.16 -3.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.13 1aof s LEU 129 CO 0.66 -0.23 1.24 0.47 0.23 0.00 0.00 176.35 178.71 1aof n ASP 130 N -1.68 2.25 -4.77 2.29 8.00 -1.26 -4.71 116.55 116.67 1aof n ASP 130 Ca -0.06 1.01 -0.41 0.00 0.71 0.00 0.00 54.79 56.04 1aof n ASP 130 Cb 0.56 -1.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.16 1aof n ASP 130 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1aof s PRO 131 N -2.52 4.12 0.10 -0.24 0.02 -1.26 -4.88 135.00 130.34 1aof s PRO 131 Ca 0.67 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.95 1aof s PRO 131 Cb -0.46 -2.99 -0.06 0.00 0.02 0.00 0.00 34.50 31.02 1aof s PRO 131 CO 0.53 -0.54 0.98 0.00 -0.33 0.00 0.00 177.00 177.64 1aof s ALA 132 N -0.86 3.25 -0.21 -1.55 0.00 -1.26 -4.98 121.76 116.14 1aof s ALA 132 Ca 0.55 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 1aof s ALA 132 Cb -0.46 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1aof s ALA 132 CO 0.59 -0.09 1.63 0.00 0.00 0.00 0.00 175.76 177.90 1aof s ALA 133 N 0.16 3.29 0.77 0.00 0.00 -1.26 -4.92 121.76 119.80 1aof s ALA 133 Ca 0.48 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1aof s ALA 133 Cb -0.24 -3.85 0.06 0.00 0.00 0.00 0.00 23.12 19.09 1aof s ALA 133 CO 0.30 -1.93 1.13 -2.14 0.00 0.00 0.00 175.76 173.12 1aof s PRO 134 N 4.66 2.10 0.35 0.00 0.02 -1.26 -5.00 135.00 135.87 1aof s PRO 134 Ca 0.72 1.42 -0.26 0.00 0.02 0.00 0.00 61.00 62.90 1aof s PRO 134 Cb -0.26 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.31 1aof s PRO 134 CO 0.29 -1.80 1.05 -1.25 -0.33 0.00 0.00 177.00 174.96 1aof s PRO 135 N -4.46 4.37 0.64 5.54 0.04 -1.26 -5.06 135.00 134.82 1aof s PRO 135 Ca 0.66 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 1aof s PRO 135 Cb -0.21 -2.78 0.05 0.00 0.04 0.00 0.00 34.50 31.59 1aof s PRO 135 CO 0.51 0.03 0.92 -1.21 0.04 0.00 0.00 177.00 177.29 1aof s GLU 136 N -2.10 2.34 -0.43 4.56 0.41 -1.26 -4.77 118.70 117.45 1aof s GLU 136 Ca 0.53 -0.47 0.05 0.00 -0.41 0.00 0.00 54.97 54.67 1aof s GLU 136 Cb -0.25 -2.30 0.17 0.00 -1.78 0.00 0.00 34.13 29.98 1aof s GLU 136 CO 0.31 -1.03 0.48 0.12 -0.49 0.00 0.00 175.26 174.65 1aof s PHE 137 N -3.05 -0.33 0.00 1.61 5.36 -1.26 -5.03 117.98 115.27 1aof s PHE 137 Ca 0.59 -1.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.40 1aof s PHE 137 Cb -0.11 -0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.26 1aof s PHE 137 CO 0.42 -1.03 0.00 0.41 -1.46 0.00 0.00 175.22 173.56 1aof n GLY 138 N 3.44 1.36 0.20 13.12 0.00 -1.26 -4.84 105.19 117.22 1aof n GLY 138 Ca 0.19 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 1aof n GLY 138 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1aof h MET 139 N 0.00 0.12 -0.50 1.61 1.85 -2.00 -1.22 114.93 114.78 1aof h MET 139 Ca 0.00 -0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.14 1aof h MET 139 Cb 0.00 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 31.95 1aof h MET 139 CO 0.00 0.08 0.22 -0.22 -0.40 0.00 0.00 176.91 176.59 1aof h LYS 140 N 0.12 0.41 -0.50 0.39 3.64 -1.99 0.21 116.57 118.86 1aof h LYS 140 Ca 0.26 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1aof h LYS 140 Cb 0.39 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1aof h LYS 140 CO -0.42 0.27 0.01 0.93 -2.27 0.00 0.00 179.45 177.97 1aof h GLU 141 N 0.43 0.88 -0.54 1.90 3.07 -1.76 -1.87 114.58 116.69 1aof h GLU 141 Ca 0.23 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1aof h GLU 141 Cb 0.19 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1aof h GLU 141 CO -0.20 0.91 0.07 0.52 -1.40 0.00 0.00 179.01 178.91 1aof h MET 142 N 0.75 0.92 0.00 2.33 2.86 -0.90 -2.72 114.93 118.17 1aof h MET 142 Ca 0.14 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1aof h MET 142 Cb 0.50 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1aof h MET 142 CO 0.02 0.90 -0.30 0.00 1.06 0.00 0.00 176.91 178.60 1aof h ARG 143 N 0.80 0.00 0.00 1.72 3.08 -0.79 -1.15 114.38 118.04 1aof h ARG 143 Ca 0.16 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1aof h ARG 143 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1aof h ARG 143 CO 0.02 0.30 -0.46 0.93 -1.07 0.00 0.00 179.97 179.68 1aof h GLU 144 N 0.00 0.00 0.00 0.04 5.08 -1.04 -2.97 114.58 115.69 1aof h GLU 144 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aof h GLU 144 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1aof h GLU 144 CO 0.04 0.46 -0.70 -1.13 -1.00 0.00 0.00 179.01 176.68 1aof n SER 145 N -3.70 0.66 -4.69 1.42 3.41 -0.84 -4.92 113.62 104.96 1aof n SER 145 Ca -0.01 -0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 57.72 1aof n SER 145 Cb 0.53 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 1aof n SER 145 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1aof s TRP 146 N -3.02 3.14 -0.03 7.33 -0.00 -0.50 -4.25 118.94 121.61 1aof s TRP 146 Ca 0.09 1.14 -0.01 0.00 -0.00 0.00 0.00 56.10 57.33 1aof s TRP 146 Cb 0.17 -3.47 0.03 0.00 -0.00 0.00 0.00 33.47 30.20 1aof s TRP 146 CO 0.76 -1.54 0.03 0.15 -0.00 0.00 0.00 176.95 176.35 1aof s LYS 147 N 2.16 0.12 -0.41 5.86 1.02 -0.34 -5.01 119.74 123.15 1aof s LYS 147 Ca 0.58 0.20 -0.11 0.00 0.02 0.00 0.00 55.97 56.66 1aof s LYS 147 Cb -0.26 -0.47 0.05 0.00 -0.52 0.00 0.00 37.83 36.63 1aof s LYS 147 CO 0.23 -0.22 0.26 0.08 -0.92 0.00 0.00 175.35 174.78 1aof s VAL 148 N 1.48 4.56 0.04 3.17 1.01 -1.26 -1.17 120.40 128.23 1aof s VAL 148 Ca -0.04 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 1aof s VAL 148 Cb -0.13 -3.67 -0.21 0.00 0.00 0.00 0.00 36.38 32.37 1aof s VAL 148 CO -0.03 -0.39 1.17 0.45 0.00 0.00 0.00 175.10 176.30 1aof h HIS 149 N 8.48 0.78 -3.45 5.22 -0.00 -0.95 -3.43 115.15 121.81 1aof h HIS 149 Ca -0.25 -0.40 -0.57 0.00 -0.00 0.00 0.00 60.37 59.16 1aof h HIS 149 Cb 1.10 -0.10 -0.39 0.00 -0.00 0.00 0.00 27.41 28.02 1aof h HIS 149 CO 0.60 1.22 -0.78 0.08 -0.00 0.00 0.00 177.93 179.04 1aof s VAL 150 N -3.39 1.08 0.57 2.45 1.01 -0.91 -5.05 120.40 116.17 1aof s VAL 150 Ca -0.12 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1aof s VAL 150 Cb 0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1aof s VAL 150 CO 0.86 -0.10 1.33 0.00 0.00 0.00 0.00 175.10 177.19 1aof s ALA 151 N 1.61 2.69 0.31 5.51 0.00 -1.26 -4.84 121.76 125.78 1aof s ALA 151 Ca -0.03 1.29 0.08 0.00 0.00 0.00 0.00 51.96 53.30 1aof s ALA 151 Cb -0.18 -3.56 0.86 0.00 0.00 0.00 0.00 23.12 20.24 1aof s ALA 151 CO -0.07 -1.42 1.71 -1.35 0.00 0.00 0.00 175.76 174.63 1aof h PRO 152 N 1.20 0.48 0.00 0.00 0.11 -1.97 0.93 132.00 132.76 1aof h PRO 152 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1aof h PRO 152 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1aof h PRO 152 CO 0.56 0.32 0.00 1.05 -0.21 0.00 0.00 178.00 179.72 1aof h GLU 153 N 0.50 0.00 -0.20 1.05 9.09 -2.00 -2.20 114.58 120.81 1aof h GLU 153 Ca 0.63 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.04 1aof h GLU 153 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1aof h GLU 153 CO -0.51 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.30 1aof n ASP 154 N -2.75 2.90 -4.93 3.06 8.00 0.31 -4.96 116.55 118.18 1aof n ASP 154 Ca 0.01 -1.92 -0.25 0.00 0.71 0.00 0.00 54.79 53.34 1aof n ASP 154 Cb 0.24 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1aof n ASP 154 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1aof s ARG 155 N -1.76 3.28 0.62 -1.24 0.52 -0.83 -4.93 118.95 114.61 1aof s ARG 155 Ca 0.34 -0.19 -0.19 0.00 -0.52 0.00 0.00 55.73 55.17 1aof s ARG 155 Cb 0.21 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 1aof s ARG 155 CO 0.31 -0.21 1.32 -2.30 0.02 0.00 0.00 175.30 174.44 1aof n PRO 156 N -2.13 1.29 0.00 3.54 -0.02 -1.26 -4.93 135.00 131.50 1aof n PRO 156 Ca -0.00 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.09 1aof n PRO 156 Cb 0.57 -2.55 0.13 0.00 -0.02 0.00 0.00 33.50 31.62 1aof n PRO 156 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1aof n THR 157 N -1.66 0.00 -3.54 3.45 -2.24 -1.26 -4.94 114.28 104.09 1aof n THR 157 Ca 0.14 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 1aof n THR 157 Cb 0.47 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 1aof n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aof s GLN 158 N -2.31 1.34 0.07 -0.78 -2.07 -1.26 -5.12 119.66 109.53 1aof s GLN 158 Ca 0.24 -0.61 -0.30 0.00 -1.82 0.00 0.00 55.36 52.86 1aof s GLN 158 Cb 0.19 0.57 -0.09 0.00 -1.09 0.00 0.00 33.01 32.59 1aof s GLN 158 CO 0.47 -0.58 1.89 -1.14 -1.32 0.00 0.00 175.29 174.61 1aof s GLN 159 N -3.79 4.14 -0.01 9.60 0.74 -1.26 -4.85 119.66 124.22 1aof s GLN 159 Ca 0.04 2.59 0.22 0.00 0.05 0.00 0.00 55.36 58.25 1aof s GLN 159 Cb -0.01 -3.89 -0.25 0.00 1.10 0.00 0.00 33.01 29.95 1aof s GLN 159 CO -0.09 -0.90 0.72 -1.33 -0.55 0.00 0.00 175.29 173.14 1aof n MET 160 N 6.65 0.34 -2.89 1.67 2.81 0.12 -4.94 117.12 120.88 1aof n MET 160 Ca 0.19 -0.09 -0.19 0.00 -1.81 0.00 0.00 57.70 55.80 1aof n MET 160 Cb 0.40 -1.52 0.03 0.00 -0.71 0.00 0.00 33.22 31.42 1aof n MET 160 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1aof s ASN 161 N -3.80 5.36 -0.20 7.83 2.20 -1.24 -4.60 114.94 120.48 1aof s ASN 161 Ca 0.00 -0.39 0.15 0.00 -0.94 0.00 0.00 52.86 51.68 1aof s ASN 161 Cb 0.15 -0.49 0.55 0.00 -2.00 0.00 0.00 41.25 39.46 1aof s ASN 161 CO 0.88 -1.05 1.46 -0.90 -2.94 0.00 0.00 177.10 174.56 1aof n ASP 162 N -2.12 3.87 -4.80 3.54 5.75 -1.26 -5.03 116.55 116.51 1aof n ASP 162 Ca 0.10 -3.11 -0.32 0.00 -0.01 0.00 0.00 54.79 51.45 1aof n ASP 162 Cb 0.60 -0.57 0.04 0.00 -1.03 0.00 0.00 41.12 40.15 1aof n ASP 162 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1aof s TRP 163 N -2.89 2.92 -0.98 2.11 0.51 -1.26 -4.95 118.94 114.40 1aof s TRP 163 Ca 0.44 1.50 -0.17 0.00 -2.12 0.00 0.00 56.10 55.75 1aof s TRP 163 Cb 0.36 -3.00 0.16 0.00 -0.81 0.00 0.00 33.47 30.17 1aof s TRP 163 CO 0.08 -1.31 1.14 0.34 -0.51 0.00 0.00 176.95 176.69 1aof s ASP 164 N -3.10 6.77 0.27 2.95 -1.08 -1.26 -4.87 116.67 116.34 1aof s ASP 164 Ca 0.62 -2.39 -0.01 0.00 -0.52 0.00 0.00 52.55 50.25 1aof s ASP 164 Cb -0.16 -2.37 0.47 0.00 -1.46 0.00 0.00 42.92 39.40 1aof s ASP 164 CO 0.45 -0.90 1.84 -0.07 0.52 0.00 0.00 175.17 177.00 1aof h LEU 165 N 9.77 0.87 -2.08 -1.34 3.38 -1.96 -2.19 115.31 121.76 1aof h LEU 165 Ca 0.18 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1aof h LEU 165 Cb 0.99 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1aof h LEU 165 CO 1.09 0.50 -0.05 -0.33 0.09 0.00 0.00 178.44 179.73 1aof h GLU 166 N 0.97 0.00 -0.61 1.13 5.08 -1.93 -2.36 114.58 116.86 1aof h GLU 166 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1aof h GLU 166 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1aof h GLU 166 CO -0.24 0.05 0.00 -1.71 -1.00 0.00 0.00 179.01 176.12 1aof n ASN 167 N -3.32 3.65 -4.80 1.42 5.15 -0.83 -1.96 115.26 114.57 1aof n ASN 167 Ca -0.01 -1.99 -0.35 0.00 -0.60 0.00 0.00 54.58 51.62 1aof n ASN 167 Cb 0.21 -0.40 -0.05 0.00 -0.53 0.00 0.00 39.78 39.00 1aof n ASN 167 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1aof s LEU 168 N -1.04 4.08 -0.13 1.20 2.96 -0.89 -1.60 118.68 123.25 1aof s LEU 168 Ca 0.42 1.86 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 1aof s LEU 168 Cb 0.22 -4.32 -0.01 0.00 0.50 0.00 0.00 46.19 42.58 1aof s LEU 168 CO 0.29 -0.39 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.40 1aof s PHE 169 N -1.87 2.75 -0.38 5.38 0.40 0.05 -1.19 117.98 123.12 1aof s PHE 169 Ca 0.59 -0.88 -0.14 0.00 -0.60 0.00 0.00 56.93 55.90 1aof s PHE 169 Cb -0.16 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1aof s PHE 169 CO 0.21 -0.36 0.28 0.45 0.70 0.00 0.00 175.22 176.50 1aof s SER 170 N 0.53 6.10 -0.17 1.36 0.15 -0.01 -0.83 113.70 120.82 1aof s SER 170 Ca -0.10 -0.67 -0.04 0.00 0.70 0.00 0.00 55.95 55.83 1aof s SER 170 Cb -0.16 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1aof s SER 170 CO 0.04 -0.36 -0.02 -0.69 1.20 0.00 0.00 173.24 173.41 1aof s VAL 171 N 1.73 3.95 -0.08 4.45 1.01 0.68 -1.29 120.40 130.85 1aof s VAL 171 Ca 0.06 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1aof s VAL 171 Cb -0.18 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1aof s VAL 171 CO 0.10 0.47 1.09 -0.89 0.00 0.00 0.00 175.10 175.87 1aof s THR 172 N 0.57 4.55 -0.96 3.92 2.01 0.11 -0.37 115.64 125.47 1aof s THR 172 Ca -0.02 1.84 -0.03 0.00 0.31 0.00 0.00 61.69 63.79 1aof s THR 172 Cb -0.14 -4.18 0.25 0.00 0.01 0.00 0.00 72.50 68.43 1aof s THR 172 CO 0.02 0.01 0.93 0.18 -0.69 0.00 0.00 174.62 175.08 1aof n LEU 173 N 5.02 4.72 0.00 4.42 4.77 -0.36 -1.81 117.00 133.76 1aof n LEU 173 Ca 0.10 -5.13 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 1aof n LEU 173 Cb 0.48 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1aof n LEU 173 CO 0.53 1.54 0.18 -1.14 -1.33 0.00 0.00 177.39 177.18 1aof n ARG 174 N 2.24 0.00 0.00 3.23 0.63 -0.69 -2.06 116.66 120.00 1aof n ARG 174 Ca 0.23 0.37 0.05 0.00 -0.92 0.00 0.00 57.85 57.58 1aof n ARG 174 Cb 0.37 -0.70 0.20 0.00 0.45 0.00 0.00 32.46 32.78 1aof n ARG 174 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1aof n ASP 175 N -1.03 0.00 0.00 6.15 9.92 -1.26 -2.25 116.55 128.08 1aof n ASP 175 Ca 0.00 0.45 0.11 0.00 -0.53 0.00 0.00 54.79 54.82 1aof n ASP 175 Cb 0.00 -0.47 0.07 0.00 -0.64 0.00 0.00 41.12 40.08 1aof n ASP 175 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aof n ALA 176 N -1.47 4.03 -3.27 2.24 0.00 -0.88 -4.92 120.51 116.25 1aof n ALA 176 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 1aof n ALA 176 Cb 0.10 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 18.66 1aof n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aof n GLY 177 N 1.48 -0.18 3.38 0.00 0.00 -1.02 -4.95 105.19 103.90 1aof n GLY 177 Ca 0.04 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1aof n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aof s GLN 178 N -5.73 1.29 0.06 1.61 -0.21 -1.20 -1.41 119.66 114.06 1aof s GLN 178 Ca 0.32 -1.32 0.05 0.00 0.02 0.00 0.00 55.36 54.42 1aof s GLN 178 Cb -0.14 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.22 1aof s GLN 178 CO 0.56 -0.48 -0.13 0.96 -2.12 0.00 0.00 175.29 174.07 1aof s ILE 179 N -4.04 1.02 -0.08 1.08 -4.36 -0.49 -1.22 121.20 113.11 1aof s ILE 179 Ca 0.25 -1.23 0.03 0.00 -0.26 0.00 0.00 60.65 59.44 1aof s ILE 179 Cb 0.03 -0.99 -0.02 0.00 1.25 0.00 0.00 42.46 42.74 1aof s ILE 179 CO 0.06 -0.22 -0.17 0.00 0.24 0.00 0.00 174.94 174.85 1aof s ALA 180 N -1.23 2.50 -0.30 2.27 0.00 0.50 -0.87 121.76 124.62 1aof s ALA 180 Ca -0.03 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 1aof s ALA 180 Cb -0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 1aof s ALA 180 CO 0.02 0.42 0.19 -0.51 0.00 0.00 0.00 175.76 175.87 1aof s LEU 181 N -0.22 4.12 -0.04 0.00 1.43 -0.02 -0.23 118.68 123.72 1aof s LEU 181 Ca -0.00 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1aof s LEU 181 Cb -0.13 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1aof s LEU 181 CO 0.03 -0.13 -0.24 -0.63 0.23 0.00 0.00 176.35 175.62 1aof s ILE 182 N 1.71 1.92 -0.00 -0.59 1.01 -0.01 -0.55 121.20 124.68 1aof s ILE 182 Ca 0.06 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1aof s ILE 182 Cb -0.16 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 1aof s ILE 182 CO 0.09 0.54 1.61 -0.62 0.00 0.00 0.00 174.94 176.57 1aof s ASP 183 N -0.29 6.68 0.29 3.58 -1.08 -0.39 -0.77 116.67 124.68 1aof s ASP 183 Ca 0.01 2.30 0.23 0.00 -0.52 0.00 0.00 52.55 54.58 1aof s ASP 183 Cb -0.12 -2.55 1.06 0.00 -1.46 0.00 0.00 42.92 39.86 1aof s ASP 183 CO 0.02 -0.88 1.71 0.61 0.52 0.00 0.00 175.17 177.15 1aof n GLY 184 N 4.01 -1.17 0.04 2.66 0.00 -0.63 -1.13 105.19 108.97 1aof n GLY 184 Ca 0.16 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1aof n GLY 184 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aof n SER 185 N -2.28 3.34 0.00 1.61 3.41 -1.26 -4.71 113.62 113.73 1aof n SER 185 Ca 0.01 -0.01 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1aof n SER 185 Cb 0.17 0.49 -0.13 0.00 -0.26 0.00 0.00 64.21 64.49 1aof n SER 185 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aof n THR 186 N -2.36 0.05 -1.32 6.66 -2.24 -1.24 -4.99 114.28 108.85 1aof n THR 186 Ca -0.12 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 1aof n THR 186 Cb 0.71 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 1aof n THR 186 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1aof n TYR 187 N -2.05 0.00 -3.42 4.78 4.01 -0.28 -5.00 117.16 115.19 1aof n TYR 187 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 1aof n TYR 187 Cb 0.49 -2.07 -0.06 0.00 -0.31 0.00 0.00 39.34 37.39 1aof n TYR 187 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1aof s GLU 188 N -2.90 4.01 -0.35 -0.72 -1.05 -1.26 -4.78 118.70 111.64 1aof s GLU 188 Ca 0.00 0.51 -0.29 0.00 -0.15 0.00 0.00 54.97 55.05 1aof s GLU 188 Cb 0.00 -3.21 -0.00 0.00 -0.44 0.00 0.00 34.13 30.48 1aof s GLU 188 CO 0.00 0.66 1.48 0.42 0.95 0.00 0.00 175.26 178.78 1aof s ILE 189 N -1.12 3.85 0.11 1.83 1.01 -1.26 -1.27 121.20 124.35 1aof s ILE 189 Ca 0.26 0.90 -0.06 0.00 0.00 0.00 0.00 60.65 61.74 1aof s ILE 189 Cb -0.17 -4.04 -0.22 0.00 0.01 0.00 0.00 42.46 38.04 1aof s ILE 189 CO 0.16 -0.59 1.24 0.11 0.00 0.00 0.00 174.94 175.86 1aof h LYS 190 N 10.80 0.44 -1.89 2.79 1.79 -1.19 -3.48 116.57 125.84 1aof h LYS 190 Ca -0.29 -0.52 0.10 0.00 -2.18 0.00 0.00 60.65 57.76 1aof h LYS 190 Cb 1.12 0.16 -0.19 0.00 -1.58 0.00 0.00 32.23 31.74 1aof h LYS 190 CO 1.06 1.18 0.53 -0.08 -1.08 0.00 0.00 179.45 181.05 1aof s THR 191 N -3.14 0.00 -0.15 -0.16 -1.32 -1.13 -5.01 115.64 104.72 1aof s THR 191 Ca -0.06 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.42 1aof s THR 191 Cb 0.08 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1aof s THR 191 CO 0.88 0.00 -0.16 -0.69 -2.21 0.00 0.00 174.62 172.44 1aof s VAL 192 N -2.08 1.69 -0.02 5.08 1.01 -1.26 -0.84 120.40 123.99 1aof s VAL 192 Ca 0.02 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1aof s VAL 192 Cb -0.01 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1aof s VAL 192 CO -0.03 0.48 -0.13 -0.76 0.00 0.00 0.00 175.10 174.66 1aof s LEU 193 N 1.38 2.84 -0.01 3.92 1.43 -0.05 -4.96 118.68 123.22 1aof s LEU 193 Ca 0.04 -0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 52.66 1aof s LEU 193 Cb -0.13 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1aof s LEU 193 CO -0.10 0.31 0.78 -1.81 0.23 0.00 0.00 176.35 175.77 1aof s ASP 194 N -1.04 7.15 0.00 2.29 1.01 -1.26 -1.40 116.67 123.42 1aof s ASP 194 Ca 0.13 1.38 0.00 0.00 0.71 0.00 0.00 52.55 54.78 1aof s ASP 194 Cb -0.11 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1aof s ASP 194 CO 0.03 -0.10 0.00 0.35 0.21 0.00 0.00 175.17 175.66 1aof n THR 195 N 3.45 0.00 -1.79 -1.27 -2.24 -0.50 -4.96 114.28 106.97 1aof n THR 195 Ca -0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1aof n THR 195 Cb 0.51 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1aof n THR 195 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1aof s GLY 196 N 0.00 1.63 0.31 3.38 0.00 -1.26 -4.76 107.32 106.61 1aof s GLY 196 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.14 1aof s GLY 196 CO 0.00 0.09 1.26 -0.47 0.00 0.00 0.00 173.10 173.98 1aof s TYR 197 N -3.29 3.19 -1.03 1.90 5.04 -1.26 -3.94 117.35 117.95 1aof s TYR 197 Ca 0.59 1.46 -0.18 0.00 -2.44 0.00 0.00 57.07 56.49 1aof s TYR 197 Cb -0.12 -3.58 0.02 0.00 0.35 0.00 0.00 41.96 38.63 1aof s TYR 197 CO 0.53 -1.57 0.66 0.00 -1.34 0.00 0.00 175.55 173.82 1aof n ALA 198 N 1.09 -2.69 -1.60 3.97 0.00 -0.95 -2.60 120.51 117.72 1aof n ALA 198 Ca 0.00 -0.42 -0.46 0.00 0.00 0.00 0.00 53.44 52.57 1aof n ALA 198 Cb 0.43 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 1aof n ALA 198 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aof n VAL 199 N -3.88 1.38 -0.05 0.00 0.31 -1.25 -2.95 118.33 111.89 1aof n VAL 199 Ca -0.20 -0.35 -0.22 0.00 -0.01 0.00 0.00 64.34 63.57 1aof n VAL 199 Cb 0.62 -1.01 -0.13 0.00 -0.91 0.00 0.00 33.84 32.41 1aof n VAL 199 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1aof n HIS 200 N 1.00 1.00 -3.84 3.52 -0.00 -0.18 -4.85 115.22 111.87 1aof n HIS 200 Ca 0.12 0.28 -0.09 0.00 0.46 0.00 0.00 57.72 58.48 1aof n HIS 200 Cb 0.29 -1.12 -0.06 0.00 -0.12 0.00 0.00 29.99 28.97 1aof n HIS 200 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1aof s ILE 201 N -2.50 0.10 -0.03 3.57 -4.36 -1.26 -4.78 121.20 111.94 1aof s ILE 201 Ca -0.26 -1.12 0.07 0.00 -0.26 0.00 0.00 60.65 59.08 1aof s ILE 201 Cb 0.07 -1.47 -0.02 0.00 1.25 0.00 0.00 42.46 42.29 1aof s ILE 201 CO 0.69 -0.46 -0.24 -0.44 0.24 0.00 0.00 174.94 174.73 1aof s SER 202 N -2.88 3.22 0.05 4.36 0.01 -1.26 -3.07 113.70 114.13 1aof s SER 202 Ca 0.08 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1aof s SER 202 Cb 0.04 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.69 1aof s SER 202 CO -0.07 0.30 -0.09 -0.13 0.41 0.00 0.00 173.24 173.66 1aof s ARG 203 N -0.51 0.57 0.05 12.44 1.81 -0.18 -4.95 118.95 128.18 1aof s ARG 203 Ca 0.07 -0.78 0.06 0.00 -1.72 0.00 0.00 55.73 53.35 1aof s ARG 203 Cb -0.11 -0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 33.98 1aof s ARG 203 CO 0.00 0.07 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.07 1aof s LEU 204 N -1.59 2.92 0.78 2.53 2.01 -1.26 -0.94 118.68 123.13 1aof s LEU 204 Ca -0.09 -0.32 -0.11 0.00 0.01 0.00 0.00 54.13 53.63 1aof s LEU 204 Cb -0.10 -1.71 0.06 0.00 0.01 0.00 0.00 46.19 44.46 1aof s LEU 204 CO 0.01 0.24 1.10 -0.94 1.01 0.00 0.00 176.35 177.77 1aof s SER 205 N -1.64 4.36 0.60 2.29 1.04 -0.36 -4.66 113.70 115.33 1aof s SER 205 Ca 0.17 1.89 0.31 0.00 0.48 0.00 0.00 55.95 58.80 1aof s SER 205 Cb -0.11 -2.53 1.88 0.00 0.10 0.00 0.00 66.02 65.36 1aof s SER 205 CO 0.08 -2.13 2.26 0.00 0.98 0.00 0.00 173.24 174.43 1aof h ALA 206 N -1.11 1.49 0.00 5.32 0.00 -1.86 -0.74 119.26 122.36 1aof h ALA 206 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1aof h ALA 206 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1aof h ALA 206 CO 0.50 -0.02 -0.31 0.66 0.00 0.00 0.00 179.25 180.08 1aof h SER 207 N 0.00 0.00 0.00 0.00 4.64 -1.92 -3.48 113.55 112.79 1aof h SER 207 Ca 0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1aof h SER 207 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1aof h SER 207 CO -0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1aof n GLY 208 N 1.28 0.80 0.12 -0.77 0.00 -0.28 -4.94 105.19 101.40 1aof n GLY 208 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1aof n GLY 208 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1aof h ARG 209 N 3.23 0.29 -5.32 1.61 2.43 -1.92 -3.47 114.38 111.24 1aof h ARG 209 Ca 0.00 -0.50 -0.62 0.00 -0.81 0.00 0.00 59.98 58.06 1aof h ARG 209 Cb 0.00 0.19 -0.14 0.00 -0.42 0.00 0.00 29.97 29.59 1aof h ARG 209 CO 0.00 1.24 -0.54 0.71 -1.51 0.00 0.00 179.97 179.87 1aof s TYR 210 N -2.47 3.31 -0.19 2.20 2.02 -1.26 -1.44 117.35 119.52 1aof s TYR 210 Ca -0.16 0.17 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 1aof s TYR 210 Cb 0.03 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1aof s TYR 210 CO 0.81 0.23 0.03 -1.17 -1.57 0.00 0.00 175.55 173.88 1aof s LEU 211 N 0.25 3.51 -0.09 -1.29 2.96 -0.13 -1.22 118.68 122.67 1aof s LEU 211 Ca 0.05 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1aof s LEU 211 Cb -0.12 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1aof s LEU 211 CO -0.00 0.11 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.62 1aof s PHE 212 N 0.71 2.70 0.04 5.38 0.40 -0.11 0.17 117.98 127.27 1aof s PHE 212 Ca 0.01 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 55.88 1aof s PHE 212 Cb -0.14 -1.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 1aof s PHE 212 CO 0.02 -0.08 -0.12 0.14 0.70 0.00 0.00 175.22 175.88 1aof s VAL 213 N -0.11 0.91 -0.09 -0.44 -7.23 -0.47 -1.01 120.40 111.96 1aof s VAL 213 Ca -0.02 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 1aof s VAL 213 Cb -0.14 -0.86 0.02 0.00 0.56 0.00 0.00 36.38 35.96 1aof s VAL 213 CO 0.04 -0.08 -0.10 -0.51 -0.31 0.00 0.00 175.10 174.13 1aof s ILE 214 N -0.92 1.11 0.49 -0.62 2.07 -1.17 -1.19 121.20 120.97 1aof s ILE 214 Ca -0.01 -0.40 -0.12 0.00 -1.41 0.00 0.00 60.65 58.71 1aof s ILE 214 Cb -0.08 -1.07 -0.06 0.00 0.13 0.00 0.00 42.46 41.38 1aof s ILE 214 CO 0.01 0.37 0.89 -0.83 -1.91 0.00 0.00 174.94 173.46 1aof s GLY 215 N 1.21 1.89 0.00 1.50 0.00 0.45 -1.01 107.32 111.36 1aof s GLY 215 Ca -0.04 -0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.65 1aof s GLY 215 CO -0.03 0.14 1.17 -0.96 0.00 0.00 0.00 173.10 173.42 1aof n ARG 216 N -1.74 0.02 -0.04 2.90 1.85 -1.07 -1.13 116.66 117.45 1aof n ARG 216 Ca 0.04 0.37 0.12 0.00 -1.00 0.00 0.00 57.85 57.38 1aof n ARG 216 Cb 0.54 -1.50 0.49 0.00 -1.05 0.00 0.00 32.46 30.94 1aof n ARG 216 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1aof n ASP 217 N -1.46 1.41 0.00 2.89 5.75 -1.26 -1.51 116.55 122.37 1aof n ASP 217 Ca 0.02 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1aof n ASP 217 Cb 0.07 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1aof n ASP 217 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aof n GLY 218 N 1.13 0.73 3.70 6.12 0.00 -0.29 -4.36 105.19 112.22 1aof n GLY 218 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1aof n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aof s LYS 219 N -0.55 4.52 -0.13 1.61 -0.14 -1.25 -1.25 119.74 122.54 1aof s LYS 219 Ca 0.00 1.45 0.00 0.00 -1.36 0.00 0.00 55.97 56.07 1aof s LYS 219 Cb 0.00 -3.47 -0.01 0.00 -1.68 0.00 0.00 37.83 32.67 1aof s LYS 219 CO 0.00 -0.13 -0.15 0.08 -0.76 0.00 0.00 175.35 174.39 1aof s VAL 220 N 1.25 2.85 -0.08 3.17 1.01 0.50 -0.41 120.40 128.69 1aof s VAL 220 Ca 0.52 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1aof s VAL 220 Cb -0.21 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1aof s VAL 220 CO 0.26 0.53 -0.20 0.20 0.00 0.00 0.00 175.10 175.88 1aof s ASN 221 N 0.44 3.46 -0.18 3.32 0.01 -0.33 -2.04 114.94 119.61 1aof s ASN 221 Ca -0.11 -0.42 -0.03 0.00 -0.71 0.00 0.00 52.86 51.60 1aof s ASN 221 Cb -0.16 -1.08 -0.01 0.00 0.41 0.00 0.00 41.25 40.41 1aof s ASN 221 CO 0.05 0.24 -0.07 -0.32 -1.51 0.00 0.00 177.10 175.49 1aof s MET 222 N -0.10 3.41 -0.10 -0.60 -2.45 -0.23 -1.37 119.30 117.86 1aof s MET 222 Ca -0.04 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.79 1aof s MET 222 Cb -0.14 -2.87 -0.01 0.00 1.25 0.00 0.00 34.83 33.05 1aof s MET 222 CO 0.04 -0.02 -0.18 0.42 1.05 0.00 0.00 175.02 176.34 1aof s ILE 223 N 0.99 2.64 -0.44 10.11 1.01 0.13 -0.53 121.20 135.11 1aof s ILE 223 Ca -0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1aof s ILE 223 Cb -0.15 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.29 1aof s ILE 223 CO -0.00 0.55 0.63 -0.62 0.00 0.00 0.00 174.94 175.50 1aof s ASP 224 N 0.16 6.31 0.00 3.58 -1.08 -1.04 -0.96 116.67 123.64 1aof s ASP 224 Ca -0.10 -0.39 0.30 0.00 -0.52 0.00 0.00 52.55 51.84 1aof s ASP 224 Cb -0.16 -2.31 1.79 0.00 -1.46 0.00 0.00 42.92 40.79 1aof s ASP 224 CO 0.06 -0.77 2.13 0.18 0.52 0.00 0.00 175.17 177.28 1aof n LEU 225 N 6.22 0.00 0.05 -1.34 4.77 -0.52 -3.32 117.00 122.86 1aof n LEU 225 Ca -0.02 0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1aof n LEU 225 Cb 0.48 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1aof n LEU 225 CO 0.53 -0.00 0.03 0.79 -1.33 0.00 0.00 177.39 177.41 1aof n TRP 226 N -1.01 0.49 -1.27 -1.77 7.02 -1.26 -4.84 117.44 114.80 1aof n TRP 226 Ca 0.22 0.14 -0.32 0.00 -1.02 0.00 0.00 57.50 56.53 1aof n TRP 226 Cb 0.11 -0.62 0.10 0.00 -2.42 0.00 0.00 31.31 28.47 1aof n TRP 226 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1aof s MET 227 N -3.26 2.04 0.19 -0.99 -1.94 -1.21 0.11 119.30 114.25 1aof s MET 227 Ca 0.02 1.44 -0.12 0.00 -1.71 0.00 0.00 55.69 55.33 1aof s MET 227 Cb 0.13 -1.85 0.21 0.00 2.01 0.00 0.00 34.83 35.32 1aof s MET 227 CO 0.79 -1.85 1.73 -0.22 -0.01 0.00 0.00 175.02 175.47 1aof h LYS 228 N -0.87 0.31 -3.83 2.03 1.63 -1.92 -3.27 116.57 110.65 1aof h LYS 228 Ca -0.45 -0.02 -0.62 0.00 -0.85 0.00 0.00 60.65 58.72 1aof h LYS 228 Cb 1.26 -0.07 -0.40 0.00 -0.60 0.00 0.00 32.23 32.42 1aof h LYS 228 CO 0.49 0.20 -0.73 -1.21 -3.45 0.00 0.00 179.45 174.75 1aof s GLU 229 N -6.12 1.13 0.27 1.90 2.02 -1.26 -4.62 118.70 112.01 1aof s GLU 229 Ca -0.13 -1.58 -0.29 0.00 0.02 0.00 0.00 54.97 52.99 1aof s GLU 229 Cb 0.16 -2.52 -0.14 0.00 0.10 0.00 0.00 34.13 31.72 1aof s GLU 229 CO 0.73 -1.01 1.00 -2.30 0.02 0.00 0.00 175.26 173.71 1aof n PRO 230 N 4.34 1.25 -3.92 0.39 -0.02 -1.23 -4.99 135.00 130.81 1aof n PRO 230 Ca 0.02 0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1aof n PRO 230 Cb 0.40 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1aof n PRO 230 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1aof s THR 231 N -0.93 0.00 -0.21 3.45 -1.32 -1.25 -4.98 115.64 110.39 1aof s THR 231 Ca 0.61 -1.20 -0.29 0.00 -1.21 0.00 0.00 61.69 59.60 1aof s THR 231 Cb -0.73 -2.08 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 1aof s THR 231 CO 0.59 -0.01 1.75 -0.89 -2.21 0.00 0.00 174.62 173.85 1aof s THR 232 N -3.97 3.51 -0.44 5.08 2.01 -1.26 -2.49 115.64 118.08 1aof s THR 232 Ca 0.17 0.57 0.23 0.00 0.31 0.00 0.00 61.69 62.96 1aof s THR 232 Cb -0.03 -3.54 -0.13 0.00 0.01 0.00 0.00 72.50 68.81 1aof s THR 232 CO 0.08 -0.25 0.94 1.33 -0.69 0.00 0.00 174.62 176.03 1aof n VAL 233 N 6.63 0.24 -3.52 3.82 0.24 0.31 -4.75 118.33 121.30 1aof n VAL 233 Ca 0.21 -0.35 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 1aof n VAL 233 Cb 0.45 0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 1aof n VAL 233 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aof s ALA 234 N -3.29 -1.77 0.05 2.33 0.00 -1.20 -0.29 121.76 117.59 1aof s ALA 234 Ca 0.01 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 1aof s ALA 234 Cb 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1aof s ALA 234 CO 0.82 -0.38 0.23 -1.83 0.00 0.00 0.00 175.76 174.60 1aof s GLU 235 N -1.29 0.77 0.12 0.00 -1.05 -0.31 -1.06 118.70 115.87 1aof s GLU 235 Ca -0.10 -0.65 -0.24 0.00 -0.15 0.00 0.00 54.97 53.83 1aof s GLU 235 Cb -0.00 0.32 0.08 0.00 -0.44 0.00 0.00 34.13 34.09 1aof s GLU 235 CO 0.09 -0.24 0.67 -1.50 0.95 0.00 0.00 175.26 175.23 1aof s ILE 236 N -2.82 0.00 -0.10 1.83 2.07 -0.87 -1.20 121.20 120.12 1aof s ILE 236 Ca -0.03 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1aof s ILE 236 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.58 1aof s ILE 236 CO -0.05 0.00 -0.22 -0.75 -1.91 0.00 0.00 174.94 172.01 1aof s LYS 237 N -3.60 3.04 0.00 3.50 2.20 -1.26 -0.37 119.74 123.25 1aof s LYS 237 Ca 0.02 -0.84 0.11 0.00 -0.36 0.00 0.00 55.97 54.90 1aof s LYS 237 Cb -0.01 -2.35 0.12 0.00 -1.51 0.00 0.00 37.83 34.08 1aof s LYS 237 CO -0.12 0.22 0.91 0.44 -0.36 0.00 0.00 175.35 176.44 1aof n ILE 238 N 3.41 0.12 -3.48 5.43 -6.64 -0.38 -4.50 119.36 113.32 1aof n ILE 238 Ca -0.19 -0.56 0.00 0.00 -1.77 0.00 0.00 62.75 60.24 1aof n ILE 238 Cb 0.53 1.15 0.00 0.00 -1.44 0.00 0.00 39.64 39.88 1aof n ILE 238 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1aof n GLY 239 N 0.63 -0.75 0.13 3.28 0.00 -1.26 -4.82 105.19 102.40 1aof n GLY 239 Ca 0.07 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1aof n GLY 239 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aof n SER 240 N 0.40 2.03 -3.84 1.61 7.64 0.72 -4.36 113.62 117.83 1aof n SER 240 Ca 0.00 0.05 -0.19 0.00 1.01 0.00 0.00 58.87 59.74 1aof n SER 240 Cb 0.00 -0.64 -0.16 0.00 -1.01 0.00 0.00 64.21 62.40 1aof n SER 240 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1aof s GLU 241 N -2.53 0.57 0.09 1.43 0.41 -1.05 -4.31 118.70 113.31 1aof s GLU 241 Ca -0.30 0.01 -0.09 0.00 -0.41 0.00 0.00 54.97 54.18 1aof s GLU 241 Cb 0.08 -0.70 -0.00 0.00 -1.78 0.00 0.00 34.13 31.73 1aof s GLU 241 CO 0.66 -0.14 0.20 0.00 -0.49 0.00 0.00 175.26 175.50 1aof s ALA 242 N 1.12 -0.24 0.00 5.21 0.00 -0.57 0.08 121.76 127.36 1aof s ALA 242 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1aof s ALA 242 Cb -0.14 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1aof s ALA 242 CO -0.01 -0.52 0.00 0.54 0.00 0.00 0.00 175.76 175.76 1aof n ARG 243 N -0.08 3.95 -4.29 0.00 5.12 -1.24 -4.09 116.66 116.03 1aof n ARG 243 Ca -0.15 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.55 1aof n ARG 243 Cb 0.62 -0.53 -0.12 0.00 -1.16 0.00 0.00 32.46 31.27 1aof n ARG 243 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1aof s SER 244 N -0.44 2.48 -0.08 0.55 1.04 -1.25 -4.56 113.70 111.44 1aof s SER 244 Ca 0.00 -0.77 -0.23 0.00 0.48 0.00 0.00 55.95 55.44 1aof s SER 244 Cb 0.00 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.04 1aof s SER 244 CO 0.00 -0.01 0.53 -0.51 0.98 0.00 0.00 173.24 174.23 1aof s ILE 245 N -1.64 0.02 0.14 -1.02 2.07 -1.26 -1.34 121.20 118.16 1aof s ILE 245 Ca 0.10 -0.15 -0.17 0.00 -1.41 0.00 0.00 60.65 59.02 1aof s ILE 245 Cb -0.08 -0.82 0.04 0.00 0.13 0.00 0.00 42.46 41.73 1aof s ILE 245 CO 0.05 -0.09 0.43 -0.70 -1.91 0.00 0.00 174.94 172.72 1aof s GLU 246 N -0.87 1.12 0.27 3.50 2.56 -0.27 -4.86 118.70 120.15 1aof s GLU 246 Ca -0.09 -0.71 0.10 0.00 0.00 0.00 0.00 54.97 54.26 1aof s GLU 246 Cb -0.03 0.48 -0.04 0.00 2.00 0.00 0.00 34.13 36.54 1aof s GLU 246 CO 0.06 -0.45 -0.02 0.95 -0.56 0.00 0.00 175.26 175.24 1aof s THR 247 N -3.81 3.29 0.04 -1.70 -4.23 -1.26 -0.71 115.64 107.25 1aof s THR 247 Ca 0.04 -1.97 -0.31 0.00 -1.18 0.00 0.00 61.69 58.27 1aof s THR 247 Cb 0.01 -2.78 -0.06 0.00 1.34 0.00 0.00 72.50 71.01 1aof s THR 247 CO -0.11 -0.37 1.36 -0.94 -0.54 0.00 0.00 174.62 174.03 1aof s SER 248 N -3.66 6.88 0.00 3.99 1.04 -0.66 -4.67 113.70 116.62 1aof s SER 248 Ca 0.32 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.90 1aof s SER 248 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1aof s SER 248 CO 0.19 -0.66 0.81 0.29 0.98 0.00 0.00 173.24 174.85 1aof n LYS 249 N 4.77 1.66 -2.47 4.02 5.02 -1.26 -4.20 118.16 125.70 1aof n LYS 249 Ca 0.12 -1.13 -0.41 0.00 -2.02 0.00 0.00 58.31 54.87 1aof n LYS 249 Cb 0.44 -0.96 -0.04 0.00 -0.02 0.00 0.00 35.03 34.45 1aof n LYS 249 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1aof s MET 250 N -0.64 4.54 0.10 1.97 1.75 -1.22 -4.73 119.30 121.06 1aof s MET 250 Ca 0.00 1.76 -0.34 0.00 -1.25 0.00 0.00 55.69 55.86 1aof s MET 250 Cb 0.00 -3.28 -0.14 0.00 2.84 0.00 0.00 34.83 34.25 1aof s MET 250 CO 0.00 -0.02 1.62 -1.91 -0.65 0.00 0.00 175.02 174.06 1aof n GLU 251 N 2.66 2.05 0.00 4.11 2.13 -1.26 -1.05 120.64 129.28 1aof n GLU 251 Ca 0.04 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1aof n GLU 251 Cb 0.46 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.65 1aof n GLU 251 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1aof n GLY 252 N 3.55 0.14 0.24 8.31 0.00 -1.26 -4.91 105.19 111.26 1aof n GLY 252 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1aof n GLY 252 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1aof n TRP 253 N -1.89 0.00 -1.74 1.61 7.02 -0.21 -5.03 117.44 117.20 1aof n TRP 253 Ca 0.00 -1.08 -0.42 0.00 -1.02 0.00 0.00 57.50 54.98 1aof n TRP 253 Cb 0.00 -0.17 -0.03 0.00 -2.42 0.00 0.00 31.31 28.69 1aof n TRP 253 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1aof s GLU 254 N -2.82 4.13 0.00 -0.99 8.01 -1.26 -1.92 118.70 123.85 1aof s GLU 254 Ca 0.32 2.60 0.00 0.00 0.01 0.00 0.00 54.97 57.90 1aof s GLU 254 Cb 0.29 -3.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.04 1aof s GLU 254 CO 0.00 -0.75 0.00 -0.25 0.01 0.00 0.00 175.26 174.27 1aof n ASP 255 N 3.99 -4.82 -0.02 -0.19 8.00 -1.26 -4.89 116.55 117.36 1aof n ASP 255 Ca 0.16 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.50 1aof n ASP 255 Cb 0.35 -2.52 -0.11 0.00 -0.02 0.00 0.00 41.12 38.83 1aof n ASP 255 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1aof h LYS 256 N 0.34 0.27 -4.17 -1.24 1.79 -1.71 -3.36 116.57 108.50 1aof h LYS 256 Ca 0.00 -0.26 -0.15 0.00 -2.18 0.00 0.00 60.65 58.06 1aof h LYS 256 Cb 0.65 0.07 -0.14 0.00 -1.58 0.00 0.00 32.23 31.23 1aof h LYS 256 CO 0.00 0.94 -0.49 0.71 -1.08 0.00 0.00 179.45 179.53 1aof s TYR 257 N -3.35 0.65 0.03 -1.35 2.02 -1.26 -0.97 117.35 113.12 1aof s TYR 257 Ca -0.15 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 55.54 1aof s TYR 257 Cb 0.02 -0.28 -0.02 0.00 -0.40 0.00 0.00 41.96 41.28 1aof s TYR 257 CO 0.77 -0.62 -0.03 0.00 -1.57 0.00 0.00 175.55 174.10 1aof s ALA 258 N -4.01 0.21 -0.00 3.71 0.00 -0.63 -1.65 121.76 119.39 1aof s ALA 258 Ca 0.21 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1aof s ALA 258 Cb 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1aof s ALA 258 CO 0.01 -0.18 -0.06 -1.50 0.00 0.00 0.00 175.76 174.03 1aof s ILE 259 N -1.82 0.45 0.04 0.00 2.07 0.11 -0.59 121.20 121.46 1aof s ILE 259 Ca -0.12 -0.29 0.06 0.00 -1.41 0.00 0.00 60.65 58.88 1aof s ILE 259 Cb -0.07 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 42.11 1aof s ILE 259 CO -0.02 0.09 -0.16 0.00 -1.91 0.00 0.00 174.94 172.94 1aof s ALA 260 N -0.21 1.38 0.09 1.50 0.00 -0.70 -1.12 121.76 122.70 1aof s ALA 260 Ca 0.01 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.15 1aof s ALA 260 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1aof s ALA 260 CO -0.00 0.28 -0.26 0.20 0.00 0.00 0.00 175.76 175.98 1aof s GLY 261 N -1.19 1.45 0.21 0.00 0.00 -0.45 -1.04 107.32 106.29 1aof s GLY 261 Ca 0.03 -1.34 0.10 0.00 0.00 0.00 0.00 44.72 43.52 1aof s GLY 261 CO 0.02 -1.28 -0.21 0.00 0.00 0.00 0.00 173.10 171.63 1aof s ALA 262 N -0.95 2.41 -0.08 3.20 0.00 -0.58 -3.63 121.76 122.13 1aof s ALA 262 Ca 0.12 -1.67 -0.08 0.00 0.00 0.00 0.00 51.96 50.34 1aof s ALA 262 Cb -0.10 -0.25 -0.28 0.00 0.00 0.00 0.00 23.12 22.49 1aof s ALA 262 CO 0.04 0.31 0.55 1.88 0.00 0.00 0.00 175.76 178.54 1aof h TYR 263 N 2.92 0.57 -2.88 0.00 -1.99 -0.61 -2.41 116.97 112.58 1aof h TYR 263 Ca -0.43 -0.42 -0.18 0.00 2.00 0.00 0.00 58.73 59.70 1aof h TYR 263 Cb 1.22 -0.02 -0.30 0.00 2.00 0.00 0.00 36.73 39.63 1aof h TYR 263 CO 0.72 1.68 -0.47 -0.46 -0.00 0.00 0.00 178.16 179.64 1aof s TRP 264 N -2.57 -0.43 0.84 4.88 -0.11 -1.00 -3.89 118.94 116.66 1aof s TRP 264 Ca -0.18 0.97 -0.11 0.00 1.22 0.00 0.00 56.10 58.00 1aof s TRP 264 Cb 0.06 0.07 0.09 0.00 -1.50 0.00 0.00 33.47 32.19 1aof s TRP 264 CO 0.82 -0.31 1.09 -2.14 -4.62 0.00 0.00 176.95 171.79 1aof s PRO 265 N 1.76 1.74 -0.84 5.86 0.02 -1.26 -0.20 135.00 142.08 1aof s PRO 265 Ca -0.05 0.83 -0.25 0.00 0.02 0.00 0.00 61.00 61.54 1aof s PRO 265 Cb -0.11 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 1aof s PRO 265 CO -0.09 -1.91 1.71 -2.14 -0.33 0.00 0.00 177.00 174.24 1aof s PRO 266 N -5.00 2.91 0.12 5.54 0.02 -1.25 -4.55 135.00 132.79 1aof s PRO 266 Ca 0.62 -0.27 -0.25 0.00 0.02 0.00 0.00 61.00 61.12 1aof s PRO 266 Cb -0.17 -4.85 0.07 0.00 0.02 0.00 0.00 34.50 29.58 1aof s PRO 266 CO 0.56 -2.77 0.81 1.14 -0.33 0.00 0.00 177.00 176.41 1aof s GLN 267 N 6.34 1.18 0.12 5.54 -2.07 -1.26 -0.90 119.66 128.61 1aof s GLN 267 Ca 0.58 -0.54 0.07 0.00 -1.82 0.00 0.00 55.36 53.66 1aof s GLN 267 Cb -0.07 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 1aof s GLN 267 CO 0.04 -0.53 -0.17 1.52 -1.32 0.00 0.00 175.29 174.84 1aof s TYR 268 N -3.44 1.58 -0.05 9.60 -0.85 -0.40 -1.53 117.35 122.26 1aof s TYR 268 Ca 0.07 -0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.15 1aof s TYR 268 Cb -0.02 -0.83 0.02 0.00 0.38 0.00 0.00 41.96 41.51 1aof s TYR 268 CO -0.05 0.20 -0.08 0.08 -1.52 0.00 0.00 175.55 174.18 1aof s VAL 269 N -1.78 0.83 -0.19 -3.49 1.01 -0.20 -1.32 120.40 115.26 1aof s VAL 269 Ca 0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1aof s VAL 269 Cb -0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1aof s VAL 269 CO 0.04 0.29 0.26 -0.63 0.00 0.00 0.00 175.10 175.06 1aof s ILE 270 N 0.75 5.31 0.16 2.22 1.01 0.58 -1.72 121.20 129.52 1aof s ILE 270 Ca -0.13 0.44 0.09 0.00 0.00 0.00 0.00 60.65 61.05 1aof s ILE 270 Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1aof s ILE 270 CO 0.02 0.36 -0.20 -0.04 0.00 0.00 0.00 174.94 175.08 1aof s MET 271 N 0.77 1.31 0.26 2.79 -1.94 0.24 -0.46 119.30 122.28 1aof s MET 271 Ca 0.14 -1.40 -0.31 0.00 -1.71 0.00 0.00 55.69 52.41 1aof s MET 271 Cb -0.13 -1.46 -0.11 0.00 2.01 0.00 0.00 34.83 35.13 1aof s MET 271 CO 0.04 0.31 1.62 0.34 -0.01 0.00 0.00 175.02 177.32 1aof s ASP 272 N -2.55 6.39 0.00 3.03 -1.08 0.29 -1.60 116.67 121.14 1aof s ASP 272 Ca 0.16 2.91 0.19 0.00 -0.52 0.00 0.00 52.55 55.28 1aof s ASP 272 Cb -0.07 -2.62 0.98 0.00 -1.46 0.00 0.00 42.92 39.75 1aof s ASP 272 CO 0.07 -0.92 1.56 0.61 0.52 0.00 0.00 175.17 177.00 1aof n GLY 273 N 2.70 -0.82 0.02 2.66 0.00 -0.14 -1.03 105.19 108.57 1aof n GLY 273 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1aof n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aof n GLU 274 N -1.22 2.48 -0.00 1.61 1.02 -1.26 -4.81 120.64 118.47 1aof n GLU 274 Ca 0.10 -0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.24 1aof n GLU 274 Cb 0.13 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 1aof n GLU 274 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1aof n THR 275 N -2.04 0.00 -1.04 2.62 -2.24 -1.22 -4.81 114.28 105.54 1aof n THR 275 Ca -0.06 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1aof n THR 275 Cb 0.51 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 1aof n THR 275 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aof n LEU 276 N -1.27 0.13 -4.69 3.22 4.77 -0.20 -4.78 117.00 114.19 1aof n LEU 276 Ca 0.00 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1aof n LEU 276 Cb 0.04 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 1aof n LEU 276 CO 0.04 -0.32 1.47 1.21 -1.33 0.00 0.00 177.39 178.47 1aof n GLU 277 N -1.99 2.80 -2.11 3.23 2.13 -1.26 -4.52 120.64 118.92 1aof n GLU 277 Ca -0.01 1.02 -0.42 0.00 0.66 0.00 0.00 57.16 58.40 1aof n GLU 277 Cb 0.17 -2.91 -0.03 0.00 0.27 0.00 0.00 31.44 28.94 1aof n GLU 277 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1aof s PRO 278 N 2.63 4.20 -0.18 5.31 0.04 -1.26 -0.55 135.00 145.19 1aof s PRO 278 Ca 0.81 2.06 0.06 0.00 0.04 0.00 0.00 61.00 63.97 1aof s PRO 278 Cb -0.48 -3.91 -0.15 0.00 0.04 0.00 0.00 34.50 30.01 1aof s PRO 278 CO 0.37 -0.80 -0.09 1.63 0.04 0.00 0.00 177.00 178.15 1aof n LYS 279 N 6.90 0.86 -3.71 4.56 4.76 0.39 -4.94 118.16 126.97 1aof n LYS 279 Ca 0.16 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.56 1aof n LYS 279 Cb 0.43 -1.38 -0.12 0.00 -1.84 0.00 0.00 35.03 32.12 1aof n LYS 279 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1aof s LYS 280 N -2.38 0.31 -0.10 1.97 2.47 -0.96 -4.99 119.74 116.07 1aof s LYS 280 Ca -0.19 0.68 0.04 0.00 -1.56 0.00 0.00 55.97 54.93 1aof s LYS 280 Cb 0.06 -0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.36 1aof s LYS 280 CO 0.50 -0.16 -0.23 0.42 0.16 0.00 0.00 175.35 176.04 1aof s ILE 281 N 1.33 2.02 -0.08 5.43 1.01 -1.26 -0.31 121.20 129.35 1aof s ILE 281 Ca -0.09 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.59 1aof s ILE 281 Cb -0.09 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1aof s ILE 281 CO -0.11 0.55 -0.16 -1.10 0.00 0.00 0.00 174.94 174.12 1aof s GLN 282 N 0.39 2.14 0.34 2.79 -1.52 -0.43 -4.99 119.66 118.37 1aof s GLN 282 Ca -0.18 -0.56 -0.25 0.00 -1.95 0.00 0.00 55.36 52.41 1aof s GLN 282 Cb -0.18 -1.70 -0.10 0.00 -0.22 0.00 0.00 33.01 30.81 1aof s GLN 282 CO 0.08 0.07 0.97 0.45 -0.25 0.00 0.00 175.29 176.60 1aof s SER 283 N 0.59 7.21 0.00 5.90 0.15 -1.26 -1.27 113.70 125.02 1aof s SER 283 Ca -0.15 1.87 0.22 0.00 0.70 0.00 0.00 55.95 58.59 1aof s SER 283 Cb -0.16 -2.58 0.15 0.00 -1.71 0.00 0.00 66.02 61.72 1aof s SER 283 CO 0.05 -0.16 1.17 0.35 1.20 0.00 0.00 173.24 175.85 1aof n THR 284 N 0.39 0.00 -1.75 6.45 -2.24 -0.08 -4.93 114.28 112.11 1aof n THR 284 Ca 0.03 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 1aof n THR 284 Cb 0.50 1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 70.15 1aof n THR 284 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1aof n ARG 285 N 1.09 2.72 -3.29 -0.78 1.74 -1.26 -4.64 116.66 112.24 1aof n ARG 285 Ca 0.12 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.17 1aof n ARG 285 Cb 0.53 -2.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.23 1aof n ARG 285 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aof n GLY 286 N 1.79 -0.81 3.79 -0.13 0.00 -1.19 -5.03 105.19 103.61 1aof n GLY 286 Ca 0.07 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1aof n GLY 286 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aof s MET 287 N -0.58 4.45 0.39 1.61 -1.94 -1.26 -1.01 119.30 120.97 1aof s MET 287 Ca 0.00 1.02 -0.26 0.00 -1.71 0.00 0.00 55.69 54.74 1aof s MET 287 Cb 0.00 -3.26 -0.09 0.00 2.01 0.00 0.00 34.83 33.50 1aof s MET 287 CO 0.00 0.59 1.29 0.95 -0.01 0.00 0.00 175.02 177.84 1aof s THR 288 N -1.12 2.69 0.32 2.05 -4.23 -0.19 -4.84 115.64 110.33 1aof s THR 288 Ca 0.34 0.63 0.01 0.00 -1.18 0.00 0.00 61.69 61.48 1aof s THR 288 Cb -0.22 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.52 1aof s THR 288 CO 0.24 0.10 1.97 0.10 -0.54 0.00 0.00 174.62 176.49 1aof h TYR 289 N 2.77 0.92 0.00 3.99 -0.00 -1.16 -1.37 116.97 122.13 1aof h TYR 289 Ca -0.49 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.24 1aof h TYR 289 Cb 1.24 -0.31 -0.00 0.00 -0.00 0.00 0.00 36.73 37.66 1aof h TYR 289 CO 0.54 0.55 -0.38 0.38 -0.00 0.00 0.00 178.16 179.25 1aof h ASP 290 N 0.97 0.00 1.01 0.10 2.03 -1.91 -3.39 116.42 115.22 1aof h ASP 290 Ca 0.30 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1aof h ASP 290 Cb -0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1aof h ASP 290 CO -0.08 0.74 -0.24 -0.62 -1.03 0.00 0.00 179.24 178.01 1aof n GLU 291 N -4.66 0.14 -3.83 4.15 1.02 -1.26 -4.95 120.64 111.26 1aof n GLU 291 Ca -0.07 0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 1aof n GLU 291 Cb 0.22 -1.63 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 1aof n GLU 291 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1aof n GLN 292 N -1.85 -2.79 -4.29 3.49 6.02 -0.52 -4.96 117.38 112.49 1aof n GLN 292 Ca 0.05 0.45 -0.27 0.00 -0.01 0.00 0.00 57.00 57.22 1aof n GLN 292 Cb 0.39 -4.46 -0.10 0.00 1.02 0.00 0.00 30.24 27.09 1aof n GLN 292 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1aof s GLU 293 N -6.29 2.02 0.18 -1.09 0.41 -1.26 -4.79 118.70 107.89 1aof s GLU 293 Ca 0.17 -1.24 -0.30 0.00 -0.41 0.00 0.00 54.97 53.18 1aof s GLU 293 Cb -0.06 -2.16 -0.08 0.00 -1.78 0.00 0.00 34.13 30.05 1aof s GLU 293 CO 0.87 0.45 1.20 -0.47 -0.49 0.00 0.00 175.26 176.81 1aof s TYR 294 N -1.60 3.42 -0.17 1.61 5.04 -1.26 -1.02 117.35 123.37 1aof s TYR 294 Ca 0.24 1.42 0.01 0.00 -2.44 0.00 0.00 57.07 56.29 1aof s TYR 294 Cb -0.09 -3.43 0.03 0.00 0.35 0.00 0.00 41.96 38.81 1aof s TYR 294 CO 0.14 -1.22 -0.16 -1.58 -1.34 0.00 0.00 175.55 171.39 1aof s HIS 295 N -0.03 2.53 -1.85 4.97 5.65 -0.18 -4.92 115.29 121.47 1aof s HIS 295 Ca 0.53 -1.51 0.31 0.00 0.25 0.00 0.00 55.06 54.64 1aof s HIS 295 Cb -0.33 -1.77 1.73 0.00 -1.18 0.00 0.00 32.58 31.04 1aof s HIS 295 CO 0.36 -0.75 2.14 -0.35 -0.65 0.00 0.00 174.74 175.49 1aof n PRO 296 N 4.68 0.86 -3.07 2.88 -0.04 -1.26 -3.20 135.00 135.84 1aof n PRO 296 Ca -0.18 -0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.06 1aof n PRO 296 Cb 0.49 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1aof n PRO 296 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1aof n GLU 297 N -1.02 0.99 -2.89 0.54 2.13 -1.26 -4.90 120.64 114.23 1aof n GLU 297 Ca 0.21 -3.05 -0.43 0.00 0.66 0.00 0.00 57.16 54.55 1aof n GLU 297 Cb 0.17 -1.54 -0.04 0.00 0.27 0.00 0.00 31.44 30.29 1aof n GLU 297 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1aof s PRO 298 N -1.84 3.28 0.40 5.31 0.02 -1.26 -4.78 135.00 136.13 1aof s PRO 298 Ca 0.36 -0.40 -0.25 0.00 0.02 0.00 0.00 61.00 60.72 1aof s PRO 298 Cb 0.34 -4.07 -0.08 0.00 0.02 0.00 0.00 34.50 30.70 1aof s PRO 298 CO -0.07 -1.46 1.18 1.03 -0.33 0.00 0.00 177.00 177.35 1aof s ARG 299 N 3.74 4.05 -0.10 5.54 0.52 -1.26 -4.70 118.95 126.74 1aof s ARG 299 Ca 0.27 1.87 -0.25 0.00 -0.52 0.00 0.00 55.73 57.11 1aof s ARG 299 Cb -0.14 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 1aof s ARG 299 CO 0.17 -0.33 0.77 0.08 0.02 0.00 0.00 175.30 176.01 1aof s VAL 300 N -1.40 4.97 0.00 3.52 1.01 -0.91 -1.05 120.40 126.55 1aof s VAL 300 Ca 0.57 1.55 0.00 0.00 0.00 0.00 0.00 61.98 64.10 1aof s VAL 300 Cb -0.31 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1aof s VAL 300 CO 0.40 0.16 0.00 0.00 0.00 0.00 0.00 175.10 175.65 1aof n ALA 301 N 4.36 0.00 -1.76 5.51 0.00 -0.13 -4.59 120.51 123.89 1aof n ALA 301 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1aof n ALA 301 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 1aof n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aof s ALA 302 N -2.85 2.99 -0.07 0.00 0.00 -0.85 -4.60 121.76 116.39 1aof s ALA 302 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1aof s ALA 302 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1aof s ALA 302 CO 0.00 -1.03 -0.07 0.42 0.00 0.00 0.00 175.76 175.08 1aof s ILE 303 N -1.36 0.77 0.37 0.00 1.01 -1.26 -1.86 121.20 118.87 1aof s ILE 303 Ca 0.65 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 61.13 1aof s ILE 303 Cb -0.37 -0.78 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 1aof s ILE 303 CO 0.45 0.29 0.04 -0.76 0.00 0.00 0.00 174.94 174.95 1aof s LEU 304 N 1.11 2.49 -0.07 2.97 1.02 -0.23 -4.71 118.68 121.25 1aof s LEU 304 Ca -0.07 -1.39 0.05 0.00 0.02 0.00 0.00 54.13 52.74 1aof s LEU 304 Cb -0.14 -0.61 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 1aof s LEU 304 CO -0.01 -0.55 -0.24 0.00 0.02 0.00 0.00 176.35 175.57 1aof s ALA 305 N -3.03 2.18 0.43 4.21 0.00 -1.26 -0.25 121.76 124.05 1aof s ALA 305 Ca 0.35 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.06 1aof s ALA 305 Cb 0.09 -0.73 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 1aof s ALA 305 CO 0.16 0.38 1.08 0.45 0.00 0.00 0.00 175.76 177.83 1aof s SER 306 N -0.01 6.54 0.00 0.00 0.15 -0.58 -4.87 113.70 114.92 1aof s SER 306 Ca -0.08 2.09 0.15 0.00 0.70 0.00 0.00 55.95 58.81 1aof s SER 306 Cb -0.15 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 1aof s SER 306 CO 0.05 -0.65 0.79 1.41 1.20 0.00 0.00 173.24 176.04 1aof n HIS 307 N -0.32 0.00 -0.09 3.44 8.25 -1.26 -3.44 115.22 121.80 1aof n HIS 307 Ca 0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 1aof n HIS 307 Cb 0.50 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.47 1aof n HIS 307 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1aof n TYR 308 N -0.31 0.00 -4.09 4.41 4.02 -1.26 -4.71 117.16 115.22 1aof n TYR 308 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.84 1aof n TYR 308 Cb 0.31 -0.84 -0.11 0.00 -0.02 0.00 0.00 39.34 38.68 1aof n TYR 308 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1aof s ARG 309 N -2.42 0.61 -1.15 -0.72 0.52 -1.26 -5.00 118.95 109.54 1aof s ARG 309 Ca -0.11 -1.02 -0.19 0.00 -0.52 0.00 0.00 55.73 53.89 1aof s ARG 309 Cb 0.05 -0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.38 1aof s ARG 309 CO 0.68 -0.02 1.99 -0.35 0.02 0.00 0.00 175.30 177.62 1aof n PRO 310 N 0.71 2.23 -4.06 3.54 -0.04 -1.26 -4.48 135.00 131.64 1aof n PRO 310 Ca -0.18 -2.43 -0.08 0.00 -0.04 0.00 0.00 63.50 60.78 1aof n PRO 310 Cb 0.58 -3.27 -0.10 0.00 -0.04 0.00 0.00 33.50 30.67 1aof n PRO 310 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1aof s GLU 311 N 4.54 0.55 0.08 0.54 2.02 -1.26 -1.88 118.70 123.30 1aof s GLU 311 Ca 0.55 -1.07 0.04 0.00 0.02 0.00 0.00 54.97 54.51 1aof s GLU 311 Cb 0.10 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.48 1aof s GLU 311 CO 0.05 -0.10 0.04 -0.06 0.02 0.00 0.00 175.26 175.21 1aof s PHE 312 N -3.37 3.10 -0.27 1.61 0.08 -0.28 -1.53 117.98 117.31 1aof s PHE 312 Ca 0.02 0.03 -0.04 0.00 0.12 0.00 0.00 56.93 57.06 1aof s PHE 312 Cb 0.04 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.92 1aof s PHE 312 CO -0.08 0.50 0.01 0.42 -0.10 0.00 0.00 175.22 175.97 1aof s ILE 313 N -1.34 3.46 -0.17 0.64 1.01 0.66 -1.01 121.20 124.46 1aof s ILE 313 Ca 0.27 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 1aof s ILE 313 Cb -0.12 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1aof s ILE 313 CO 0.20 0.14 -0.16 -0.69 0.00 0.00 0.00 174.94 174.44 1aof s VAL 314 N 1.42 2.53 -0.15 2.92 1.01 0.27 -1.07 120.40 127.34 1aof s VAL 314 Ca 0.02 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1aof s VAL 314 Cb -0.17 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1aof s VAL 314 CO -0.01 0.51 0.53 0.20 0.00 0.00 0.00 175.10 176.33 1aof s ASN 315 N 1.09 6.68 -0.36 3.32 0.01 -0.78 -0.40 114.94 124.50 1aof s ASN 315 Ca -0.00 0.81 -0.04 0.00 -0.71 0.00 0.00 52.86 52.92 1aof s ASN 315 Cb -0.14 -2.31 0.07 0.00 0.41 0.00 0.00 41.25 39.28 1aof s ASN 315 CO -0.05 -0.09 0.13 -0.69 -1.51 0.00 0.00 177.10 174.88 1aof s VAL 316 N 1.08 3.43 0.00 1.60 1.01 0.04 -0.95 120.40 126.61 1aof s VAL 316 Ca 0.27 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1aof s VAL 316 Cb -0.16 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1aof s VAL 316 CO 0.11 -0.38 0.92 1.17 0.00 0.00 0.00 175.10 176.93 1aof n LYS 317 N 4.69 0.00 0.24 2.72 4.81 -0.21 -2.36 118.16 128.06 1aof n LYS 317 Ca -0.09 0.69 0.07 0.00 -0.87 0.00 0.00 58.31 58.12 1aof n LYS 317 Cb 0.43 -1.42 0.59 0.00 0.02 0.00 0.00 35.03 34.65 1aof n LYS 317 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1aof h GLU 318 N 0.00 0.00 0.00 1.64 3.07 -1.86 0.48 114.58 117.91 1aof h GLU 318 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1aof h GLU 318 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1aof h GLU 318 CO 0.00 0.11 -0.80 0.25 -1.40 0.00 0.00 179.01 177.18 1aof n THR 319 N -4.28 0.18 -3.05 1.13 -2.24 -1.25 -4.72 114.28 100.06 1aof n THR 319 Ca -0.03 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1aof n THR 319 Cb 0.19 0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1aof n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aof n GLY 320 N 1.39 -0.02 3.19 3.38 0.00 -0.99 -0.64 105.19 111.50 1aof n GLY 320 Ca 0.03 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1aof n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aof s LYS 321 N -5.36 1.29 -0.16 1.61 1.02 -1.11 -0.86 119.74 116.17 1aof s LYS 321 Ca 0.19 -0.77 -0.00 0.00 0.02 0.00 0.00 55.97 55.41 1aof s LYS 321 Cb -0.09 -1.32 -0.00 0.00 -0.52 0.00 0.00 37.83 35.90 1aof s LYS 321 CO 0.46 0.35 -0.14 0.42 -0.92 0.00 0.00 175.35 175.51 1aof s ILE 322 N -0.65 2.75 -0.14 2.17 1.01 -0.47 -0.78 121.20 125.09 1aof s ILE 322 Ca 0.06 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1aof s ILE 322 Cb -0.08 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1aof s ILE 322 CO 0.01 0.51 0.02 -0.76 0.00 0.00 0.00 174.94 174.71 1aof s LEU 323 N 0.84 3.61 -0.40 2.97 1.43 0.47 -0.46 118.68 127.13 1aof s LEU 323 Ca -0.05 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1aof s LEU 323 Cb -0.15 -1.87 0.07 0.00 0.03 0.00 0.00 46.19 44.26 1aof s LEU 323 CO -0.00 0.25 0.22 -0.76 0.23 0.00 0.00 176.35 176.28 1aof s LEU 324 N -0.08 4.96 -0.37 1.79 1.43 -0.16 -0.57 118.68 125.69 1aof s LEU 324 Ca 0.05 -1.42 -0.13 0.00 -1.03 0.00 0.00 54.13 51.59 1aof s LEU 324 Cb -0.13 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1aof s LEU 324 CO 0.02 -0.48 0.26 -0.69 0.23 0.00 0.00 176.35 175.68 1aof s VAL 325 N 1.41 5.19 -0.25 -1.59 1.01 -0.18 -1.27 120.40 124.72 1aof s VAL 325 Ca 0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1aof s VAL 325 Cb -0.22 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1aof s VAL 325 CO 0.02 -0.13 1.04 -0.62 0.00 0.00 0.00 175.10 175.41 1aof s ASP 326 N 1.69 7.05 -0.07 3.32 -1.08 -0.62 -1.13 116.67 125.83 1aof s ASP 326 Ca 0.05 1.29 0.16 0.00 -0.52 0.00 0.00 52.55 53.53 1aof s ASP 326 Cb -0.18 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.33 1aof s ASP 326 CO 0.10 -0.72 1.48 0.00 0.52 0.00 0.00 175.17 176.55 1aof n TYR 327 N 6.45 1.15 0.24 -5.34 0.18 -0.79 -4.32 117.16 114.73 1aof n TYR 327 Ca 0.12 -0.48 0.13 0.00 1.88 0.00 0.00 57.90 59.55 1aof n TYR 327 Cb 0.46 -0.16 0.42 0.00 -0.38 0.00 0.00 39.34 39.69 1aof n TYR 327 CO 0.00 0.00 0.00 1.79 -2.08 0.00 0.00 176.86 176.57 1aof h THR 328 N 3.47 0.19 -2.12 -3.48 1.35 -1.92 -3.41 112.91 107.00 1aof h THR 328 Ca 0.00 -0.94 -0.24 0.00 -0.55 0.00 0.00 66.41 64.69 1aof h THR 328 Cb 1.15 1.79 -0.32 0.00 -1.73 0.00 0.00 68.15 69.04 1aof h THR 328 CO 0.15 0.09 -0.56 -0.62 -0.25 0.00 0.00 175.52 174.33 1aof s ASP 329 N -6.02 0.86 0.32 5.36 -1.08 -1.26 -5.03 116.67 109.82 1aof s ASP 329 Ca 0.03 -0.14 0.24 0.00 -0.52 0.00 0.00 52.55 52.15 1aof s ASP 329 Cb 0.08 0.78 0.35 0.00 -1.46 0.00 0.00 42.92 42.67 1aof s ASP 329 CO 0.62 -0.33 1.50 -0.07 0.52 0.00 0.00 175.17 177.41 1aof h LEU 330 N 8.23 0.00 0.11 -1.34 3.38 -1.86 -3.23 115.31 120.61 1aof h LEU 330 Ca -0.17 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.48 1aof h LEU 330 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1aof h LEU 330 CO 0.29 0.01 -1.53 0.78 0.09 0.00 0.00 178.44 178.08 1aof h ASN 331 N 0.00 0.38 -2.53 -0.43 -0.26 -1.98 -3.36 115.58 107.41 1aof h ASN 331 Ca 0.00 -0.53 -0.64 0.00 -0.56 0.00 0.00 56.30 54.57 1aof h ASN 331 Cb 0.93 -0.12 -0.40 0.00 -1.06 0.00 0.00 38.32 37.67 1aof h ASN 331 CO 0.00 1.44 -0.37 0.59 -1.06 0.00 0.00 177.43 178.03 1aof n ASN 332 N -3.45 4.02 -4.62 5.81 3.02 -1.25 -5.06 115.26 113.73 1aof n ASN 332 Ca -0.16 -3.38 -0.43 0.00 -0.03 0.00 0.00 54.58 50.58 1aof n ASN 332 Cb 1.04 -0.79 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 1aof n ASN 332 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1aof s LEU 333 N -2.26 3.81 -0.20 3.41 2.96 -1.22 -4.75 118.68 120.43 1aof s LEU 333 Ca 0.35 1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 55.60 1aof s LEU 333 Cb 0.09 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 1aof s LEU 333 CO -0.03 -1.32 0.31 -0.75 -1.32 0.00 0.00 176.35 173.23 1aof s LYS 334 N 4.79 4.16 0.06 1.98 2.20 -1.26 -5.04 119.74 126.62 1aof s LYS 334 Ca 0.70 0.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.37 1aof s LYS 334 Cb -0.23 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1aof s LYS 334 CO 0.30 0.05 -0.07 0.95 -0.36 0.00 0.00 175.35 176.21 1aof s THR 335 N 1.07 0.54 -0.19 3.43 -4.23 -1.26 -1.58 115.64 113.41 1aof s THR 335 Ca 0.15 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 1aof s THR 335 Cb -0.14 -0.99 0.03 0.00 1.34 0.00 0.00 72.50 72.74 1aof s THR 335 CO 0.06 -0.59 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.51 1aof s THR 336 N -2.28 1.91 -0.45 3.99 2.01 -0.40 -4.96 115.64 115.47 1aof s THR 336 Ca -0.02 -1.03 -0.14 0.00 0.31 0.00 0.00 61.69 60.81 1aof s THR 336 Cb -0.04 -1.84 0.06 0.00 0.01 0.00 0.00 72.50 70.69 1aof s THR 336 CO -0.02 0.35 0.34 -0.70 -0.69 0.00 0.00 174.62 173.90 1aof s GLU 337 N 1.31 2.90 -0.26 4.92 2.12 -1.26 -0.99 118.70 127.44 1aof s GLU 337 Ca 0.01 -1.31 -0.18 0.00 0.36 0.00 0.00 54.97 53.86 1aof s GLU 337 Cb -0.15 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.20 1aof s GLU 337 CO -0.10 -0.95 0.50 0.42 -0.54 0.00 0.00 175.26 174.59 1aof s ILE 338 N 1.60 5.08 -0.11 -3.70 1.01 0.39 -4.94 121.20 120.52 1aof s ILE 338 Ca 0.04 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.25 1aof s ILE 338 Cb -0.23 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 1aof s ILE 338 CO 0.06 0.10 1.26 -0.44 0.00 0.00 0.00 174.94 175.92 1aof s SER 339 N 1.53 6.97 0.00 3.58 0.01 -1.26 -1.37 113.70 123.16 1aof s SER 339 Ca 0.21 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1aof s SER 339 Cb -0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1aof s SER 339 CO 0.09 -0.70 0.00 0.00 0.41 0.00 0.00 173.24 173.04 1aof n ALA 340 N 6.06 0.00 -3.21 1.44 0.00 -0.04 -4.95 120.51 119.82 1aof n ALA 340 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 1aof n ALA 340 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1aof n ALA 340 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1aof s GLU 341 N 1.23 0.60 0.59 0.00 2.56 -1.21 -5.01 118.70 117.47 1aof s GLU 341 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 54.97 54.64 1aof s GLU 341 Cb 0.00 0.27 -0.03 0.00 2.00 0.00 0.00 34.13 36.36 1aof s GLU 341 CO 0.00 -0.16 1.07 1.03 -0.56 0.00 0.00 175.26 176.64 1aof s ARG 342 N -1.19 3.27 -0.42 4.30 0.52 -1.26 -4.08 118.95 120.09 1aof s ARG 342 Ca -0.12 1.26 -0.01 0.00 -0.52 0.00 0.00 55.73 56.34 1aof s ARG 342 Cb -0.05 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1aof s ARG 342 CO 0.03 -0.86 0.13 1.19 0.02 0.00 0.00 175.30 175.82 1aof n PHE 343 N -1.99 -0.47 -1.79 -0.53 3.72 0.14 -4.62 117.46 111.91 1aof n PHE 343 Ca 0.09 0.12 -0.40 0.00 -0.05 0.00 0.00 57.45 57.20 1aof n PHE 343 Cb 0.53 -1.90 0.01 0.00 -0.94 0.00 0.00 39.48 37.18 1aof n PHE 343 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1aof s LEU 344 N -2.04 4.21 0.00 4.37 1.43 -1.23 -2.17 118.68 123.25 1aof s LEU 344 Ca 0.07 2.99 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 1aof s LEU 344 Cb -0.03 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1aof s LEU 344 CO 0.08 -1.04 0.00 1.57 0.23 0.00 0.00 176.35 177.19 1aof n HIS 345 N 0.10 0.00 -3.69 0.29 -0.00 0.16 -4.29 115.22 107.78 1aof n HIS 345 Ca 0.03 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.98 1aof n HIS 345 Cb 0.41 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.25 1aof n HIS 345 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1aof s ASP 346 N 1.00 4.85 0.00 0.26 -4.77 -1.26 -2.00 116.67 114.75 1aof s ASP 346 Ca 0.00 -0.95 0.00 0.00 -3.30 0.00 0.00 52.55 48.30 1aof s ASP 346 Cb 0.00 -0.17 0.00 0.00 -1.09 0.00 0.00 42.92 41.66 1aof s ASP 346 CO 0.00 -0.84 0.00 0.61 0.70 0.00 0.00 175.17 175.64 1aof n GLY 347 N -1.64 -1.68 3.71 2.12 0.00 -0.91 -0.95 105.19 105.85 1aof n GLY 347 Ca 0.02 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1aof n GLY 347 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aof s GLY 348 N 0.00 0.52 0.32 -0.02 0.00 -0.43 -4.14 107.32 103.58 1aof s GLY 348 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 1aof s GLY 348 CO 0.00 -0.46 0.63 1.08 0.00 0.00 0.00 173.10 174.35 1aof s LEU 349 N -3.06 3.99 0.00 0.66 1.43 -1.26 -0.95 118.68 119.50 1aof s LEU 349 Ca 0.19 0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 54.00 1aof s LEU 349 Cb -0.03 -3.73 0.27 0.00 0.03 0.00 0.00 46.19 42.73 1aof s LEU 349 CO 0.12 -0.25 1.16 -0.90 0.23 0.00 0.00 176.35 176.71 1aof n ASP 350 N -0.94 -1.32 -0.23 2.29 5.75 -0.39 -4.86 116.55 116.85 1aof n ASP 350 Ca 0.00 -1.27 0.05 0.00 -0.01 0.00 0.00 54.79 53.56 1aof n ASP 350 Cb 0.54 -1.00 0.29 0.00 -1.03 0.00 0.00 41.12 39.92 1aof n ASP 350 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1aof h GLY 351 N -2.35 1.11 1.73 6.12 0.00 -1.92 -0.91 103.07 106.85 1aof h GLY 351 Ca -0.41 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1aof h GLY 351 CO 0.28 0.27 0.00 -1.14 0.00 0.00 0.00 176.54 175.95 1aof n SER 352 N -4.48 0.00 -0.91 0.19 3.41 -1.26 -4.92 113.62 105.66 1aof n SER 352 Ca 0.12 0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.70 1aof n SER 352 Cb 0.19 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 1aof n SER 352 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1aof n HIS 353 N -1.36 0.00 -0.10 7.33 8.25 -0.35 -4.90 115.22 124.09 1aof n HIS 353 Ca 0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.44 1aof n HIS 353 Cb 0.27 -2.23 -0.14 0.00 1.12 0.00 0.00 29.99 29.01 1aof n HIS 353 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1aof n ARG 354 N -2.53 0.67 -4.26 -0.41 0.63 -1.26 -4.43 116.66 105.06 1aof n ARG 354 Ca -0.12 0.08 -0.35 0.00 -0.92 0.00 0.00 57.85 56.54 1aof n ARG 354 Cb 0.40 -1.54 -0.10 0.00 0.45 0.00 0.00 32.46 31.67 1aof n ARG 354 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1aof s TYR 355 N -2.51 3.16 -0.26 -0.14 2.02 -1.26 -1.20 117.35 117.17 1aof s TYR 355 Ca -0.20 0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 56.43 1aof s TYR 355 Cb 0.07 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 1aof s TYR 355 CO 0.74 0.26 0.21 0.12 -1.57 0.00 0.00 175.55 175.31 1aof s PHE 356 N -0.21 3.26 -0.23 2.71 5.36 -0.00 -1.26 117.98 127.62 1aof s PHE 356 Ca 0.06 0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 56.23 1aof s PHE 356 Cb -0.12 -2.37 0.02 0.00 -0.34 0.00 0.00 43.02 40.20 1aof s PHE 356 CO 0.02 -0.08 -0.09 0.42 -1.46 0.00 0.00 175.22 174.02 1aof s ILE 357 N 1.53 2.75 0.07 3.12 1.01 -0.12 -0.64 121.20 128.92 1aof s ILE 357 Ca 0.09 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1aof s ILE 357 Cb -0.15 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1aof s ILE 357 CO 0.08 0.32 -0.15 0.28 0.00 0.00 0.00 174.94 175.47 1aof s THR 358 N 1.34 1.20 -0.23 2.92 -1.32 -0.21 -1.31 115.64 118.03 1aof s THR 358 Ca 0.02 -1.33 -0.17 0.00 -1.21 0.00 0.00 61.69 59.00 1aof s THR 358 Cb -0.15 -1.14 -0.03 0.00 -1.51 0.00 0.00 72.50 69.67 1aof s THR 358 CO -0.06 -0.19 0.48 0.00 -2.21 0.00 0.00 174.62 172.63 1aof s ALA 359 N -1.24 3.56 -1.15 11.08 0.00 -0.13 -0.41 121.76 133.47 1aof s ALA 359 Ca -0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 1aof s ALA 359 Cb -0.10 -2.79 0.25 0.00 0.00 0.00 0.00 23.12 20.48 1aof s ALA 359 CO 0.02 -0.53 1.31 0.00 0.00 0.00 0.00 175.76 176.56 1aof n ALA 360 N 5.01 4.34 -0.19 0.00 0.00 -0.17 -0.67 120.51 128.82 1aof n ALA 360 Ca -0.06 -4.55 -0.00 0.00 0.00 0.00 0.00 53.44 48.84 1aof n ALA 360 Cb 0.50 -2.65 0.08 0.00 0.00 0.00 0.00 19.45 17.39 1aof n ALA 360 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1aof h ASN 361 N 6.56 -0.34 0.63 0.00 7.08 -1.67 -2.22 115.58 125.63 1aof h ASN 361 Ca 0.24 0.16 0.00 0.00 -3.08 0.00 0.00 56.30 53.61 1aof h ASN 361 Cb 0.82 0.29 0.00 0.00 -2.08 0.00 0.00 38.32 37.35 1aof h ASN 361 CO 1.16 -0.13 0.00 0.00 -2.08 0.00 0.00 177.43 176.38 1aof h ALA 362 N 1.55 1.00 -0.32 4.14 0.00 -1.85 -2.47 119.26 121.31 1aof h ALA 362 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1aof h ALA 362 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1aof h ALA 362 CO -0.54 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.25 1aof n ARG 363 N -2.64 2.26 -3.53 0.00 1.74 -0.87 -4.96 116.66 108.65 1aof n ARG 363 Ca 0.00 -1.97 -0.26 0.00 -0.77 0.00 0.00 57.85 54.86 1aof n ARG 363 Cb 0.21 -1.34 0.03 0.00 -1.02 0.00 0.00 32.46 30.34 1aof n ARG 363 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1aof n ASN 364 N 0.86 -5.11 -4.38 0.55 3.02 -0.93 -4.98 115.26 104.30 1aof n ASN 364 Ca 0.13 -0.54 -0.25 0.00 -0.03 0.00 0.00 54.58 53.89 1aof n ASN 364 Cb 0.45 -4.10 -0.12 0.00 -0.61 0.00 0.00 39.78 35.40 1aof n ASN 364 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1aof s LYS 365 N -6.23 1.40 -0.16 3.52 -0.14 -1.13 -1.91 119.74 115.10 1aof s LYS 365 Ca 0.51 -1.45 -0.01 0.00 -1.36 0.00 0.00 55.97 53.67 1aof s LYS 365 Cb -0.25 -1.66 -0.01 0.00 -1.68 0.00 0.00 37.83 34.24 1aof s LYS 365 CO 0.63 0.36 -0.12 -0.51 -0.76 0.00 0.00 175.35 174.95 1aof s LEU 366 N -2.56 2.68 -0.14 3.17 1.43 0.93 -1.00 118.68 123.20 1aof s LEU 366 Ca 0.17 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1aof s LEU 366 Cb -0.08 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1aof s LEU 366 CO 0.08 0.10 0.04 -0.69 0.23 0.00 0.00 176.35 176.11 1aof s VAL 367 N 0.74 4.59 -0.13 -1.59 1.01 0.45 -0.83 120.40 124.64 1aof s VAL 367 Ca -0.05 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1aof s VAL 367 Cb -0.15 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1aof s VAL 367 CO 0.02 0.53 -0.18 -0.69 0.00 0.00 0.00 175.10 174.78 1aof s VAL 368 N -0.20 2.55 -0.03 2.92 1.01 0.41 -1.04 120.40 126.01 1aof s VAL 368 Ca 0.07 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1aof s VAL 368 Cb -0.12 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1aof s VAL 368 CO 0.02 0.53 -0.25 -0.63 0.00 0.00 0.00 175.10 174.77 1aof s ILE 369 N 0.52 2.11 -0.47 2.22 -1.09 0.19 -0.41 121.20 124.26 1aof s ILE 369 Ca -0.12 -1.08 -0.19 0.00 -2.23 0.00 0.00 60.65 57.03 1aof s ILE 369 Cb -0.16 -1.73 0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1aof s ILE 369 CO 0.05 0.58 0.56 -0.62 -1.23 0.00 0.00 174.94 174.28 1aof s ASP 370 N -0.57 6.23 0.51 3.58 -1.08 -0.06 -0.82 116.67 124.45 1aof s ASP 370 Ca 0.09 -0.78 0.31 0.00 -0.52 0.00 0.00 52.55 51.66 1aof s ASP 370 Cb -0.10 -2.27 1.18 0.00 -1.46 0.00 0.00 42.92 40.27 1aof s ASP 370 CO -0.00 -0.77 1.91 0.71 0.52 0.00 0.00 175.17 177.53 1aof h THR 371 N 5.82 0.00 0.01 1.71 1.35 -1.46 0.13 112.91 120.48 1aof h THR 371 Ca -0.27 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1aof h THR 371 Cb 1.10 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1aof h THR 371 CO 0.90 0.00 -0.01 0.50 -0.25 0.00 0.00 175.52 176.66 1aof h LYS 372 N 0.00 -0.02 0.00 4.72 3.64 -1.92 -3.34 116.57 119.65 1aof h LYS 372 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1aof h LYS 372 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1aof h LYS 372 CO 0.00 0.72 -0.40 0.39 -2.27 0.00 0.00 179.45 177.88 1aof n GLU 373 N -4.73 0.19 -2.84 1.90 -0.58 -1.21 -4.98 120.64 108.40 1aof n GLU 373 Ca -0.09 0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.63 1aof n GLU 373 Cb 0.36 -1.65 0.05 0.00 -0.57 0.00 0.00 31.44 29.63 1aof n GLU 373 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aof n GLY 374 N 1.38 -0.01 3.37 0.62 0.00 0.43 -5.05 105.19 105.94 1aof n GLY 374 Ca 0.05 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1aof n GLY 374 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aof s LYS 375 N -4.84 1.15 0.23 1.61 -2.85 -1.03 -4.99 119.74 109.01 1aof s LYS 375 Ca 0.02 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.18 1aof s LYS 375 Cb -0.01 0.52 -0.10 0.00 -2.06 0.00 0.00 37.83 36.18 1aof s LYS 375 CO 0.42 -0.47 1.41 -1.17 0.10 0.00 0.00 175.35 175.64 1aof s LEU 376 N -2.61 4.39 -0.14 2.77 2.96 -1.26 -0.88 118.68 123.91 1aof s LEU 376 Ca 0.00 2.58 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 1aof s LEU 376 Cb 0.00 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 1aof s LEU 376 CO -0.10 -0.66 -0.13 0.52 -1.32 0.00 0.00 176.35 174.66 1aof n VAL 377 N 2.57 0.81 -3.53 1.68 0.31 0.45 -4.88 118.33 115.74 1aof n VAL 377 Ca 0.07 -0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 64.02 1aof n VAL 377 Cb 0.41 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 1aof n VAL 377 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aof s ALA 378 N -2.28 -1.79 -0.07 3.52 0.00 -1.14 -5.00 121.76 115.00 1aof s ALA 378 Ca -0.19 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 1aof s ALA 378 Cb 0.05 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.67 1aof s ALA 378 CO 0.32 -0.74 0.08 0.42 0.00 0.00 0.00 175.76 175.84 1aof s ILE 379 N -3.16 -0.13 0.03 0.00 1.01 -1.26 -0.45 121.20 117.24 1aof s ILE 379 Ca 0.06 0.32 0.06 0.00 0.00 0.00 0.00 60.65 61.08 1aof s ILE 379 Cb -0.01 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 1aof s ILE 379 CO -0.08 0.10 -0.17 -1.61 0.00 0.00 0.00 174.94 173.19 1aof s GLU 380 N 2.18 1.17 0.15 2.79 0.41 -0.01 -4.94 118.70 120.45 1aof s GLU 380 Ca 0.04 -0.76 -0.25 0.00 -0.41 0.00 0.00 54.97 53.59 1aof s GLU 380 Cb -0.13 -1.20 -0.08 0.00 -1.78 0.00 0.00 34.13 30.95 1aof s GLU 380 CO -0.04 0.31 0.78 0.34 -0.49 0.00 0.00 175.26 176.16 1aof s ASP 381 N -0.93 7.37 0.20 -0.19 -1.08 -1.26 -0.05 116.67 120.73 1aof s ASP 381 Ca 0.05 1.63 0.25 0.00 -0.52 0.00 0.00 52.55 53.95 1aof s ASP 381 Cb -0.08 -2.50 0.48 0.00 -1.46 0.00 0.00 42.92 39.36 1aof s ASP 381 CO 0.01 0.17 1.49 0.71 0.52 0.00 0.00 175.17 178.07 1aof h THR 382 N 3.46 0.00 0.00 1.71 1.35 -1.75 -3.47 112.91 114.22 1aof h THR 382 Ca -0.46 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1aof h THR 382 Cb 1.21 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1aof h THR 382 CO 0.67 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1aof n GLY 383 N 1.28 0.83 3.73 5.82 0.00 -1.26 -4.90 105.19 110.69 1aof n GLY 383 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1aof n GLY 383 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aof s GLY 384 N -1.87 2.80 -0.26 -0.02 0.00 -1.26 -5.10 107.32 101.61 1aof s GLY 384 Ca 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 44.72 43.54 1aof s GLY 384 CO 0.00 -2.14 0.10 1.20 0.00 0.00 0.00 173.10 172.26 1aof s GLN 385 N -3.85 3.65 -0.60 2.90 -1.52 -1.26 -4.75 119.66 114.22 1aof s GLN 385 Ca 0.18 -0.49 -0.03 0.00 -1.95 0.00 0.00 55.36 53.08 1aof s GLN 385 Cb 0.04 -3.41 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 1aof s GLN 385 CO 0.10 -0.22 0.60 2.41 -0.25 0.00 0.00 175.29 177.93 1aof n THR 386 N 4.95 -9.29 -1.81 -0.19 -1.04 -1.26 -0.81 114.28 104.84 1aof n THR 386 Ca -0.15 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.41 1aof n THR 386 Cb 0.51 -6.61 -0.01 0.00 -1.82 0.00 0.00 70.33 62.40 1aof n THR 386 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1aof s PRO 387 N -2.90 4.14 -0.38 -2.82 0.02 -1.26 -0.92 135.00 130.88 1aof s PRO 387 Ca 0.04 2.54 0.02 0.00 0.02 0.00 0.00 61.00 63.62 1aof s PRO 387 Cb -0.01 -3.03 0.15 0.00 0.02 0.00 0.00 34.50 31.64 1aof s PRO 387 CO 0.67 -0.59 0.32 -1.58 -0.33 0.00 0.00 177.00 175.48 1aof s HIS 388 N -0.14 0.38 -0.36 6.54 2.46 -0.61 -4.58 115.29 118.99 1aof s HIS 388 Ca 0.61 -1.50 0.21 0.00 0.47 0.00 0.00 55.06 54.85 1aof s HIS 388 Cb -0.47 -0.70 0.24 0.00 -0.13 0.00 0.00 32.58 31.52 1aof s HIS 388 CO 0.49 -0.89 1.49 -1.00 -2.47 0.00 0.00 174.74 172.36 1aof h PRO 389 N 6.59 0.00 0.00 2.88 0.13 -1.78 -3.39 132.00 136.43 1aof h PRO 389 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1aof h PRO 389 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1aof h PRO 389 CO 0.25 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 1aof n GLY 390 N 1.14 1.20 0.54 1.56 0.00 -1.26 -0.68 105.19 107.69 1aof n GLY 390 Ca 0.03 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.63 1aof n GLY 390 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aof n ARG 391 N 12.56 1.59 0.00 1.61 1.74 -1.26 -2.13 116.66 130.76 1aof n ARG 391 Ca 0.00 -1.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 1aof n ARG 391 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1aof n ARG 391 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aof n GLY 392 N 1.27 -2.20 2.77 -0.13 0.00 0.15 -3.44 105.19 103.62 1aof n GLY 392 Ca 0.15 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 1aof n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aof s ALA 393 N -1.04 0.58 -0.16 4.61 0.00 -1.06 -4.77 121.76 119.92 1aof s ALA 393 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.84 1aof s ALA 393 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1aof s ALA 393 CO 0.00 -0.38 0.11 -0.80 0.00 0.00 0.00 175.76 174.70 1aof s ASN 394 N 1.79 6.08 0.26 0.00 0.01 -0.12 -0.39 114.94 122.58 1aof s ASN 394 Ca 0.02 0.27 -0.19 0.00 -0.71 0.00 0.00 52.86 52.25 1aof s ASN 394 Cb -0.13 -2.02 0.02 0.00 0.41 0.00 0.00 41.25 39.53 1aof s ASN 394 CO -0.04 0.27 0.64 0.72 -1.51 0.00 0.00 177.10 177.18 1aof s PHE 395 N -0.17 -0.06 -0.38 2.20 -0.71 -0.63 -4.77 117.98 113.46 1aof s PHE 395 Ca 0.10 -0.36 -0.13 0.00 -1.04 0.00 0.00 56.93 55.50 1aof s PHE 395 Cb -0.12 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.26 1aof s PHE 395 CO 0.01 -1.14 0.24 0.08 -1.34 0.00 0.00 175.22 173.07 1aof s VAL 396 N -3.94 4.93 0.08 -2.49 1.01 -1.26 -1.19 120.40 117.55 1aof s VAL 396 Ca 0.13 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1aof s VAL 396 Cb -0.04 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1aof s VAL 396 CO 0.06 -0.22 1.09 -2.28 0.00 0.00 0.00 175.10 173.75 1aof s HIS 397 N 1.63 3.58 0.37 5.22 2.46 -0.19 -4.91 115.29 123.44 1aof s HIS 397 Ca 0.04 1.54 0.17 0.00 0.47 0.00 0.00 55.06 57.28 1aof s HIS 397 Cb -0.19 -3.26 1.11 0.00 -0.13 0.00 0.00 32.58 30.11 1aof s HIS 397 CO 0.08 -0.59 1.69 -1.35 -2.47 0.00 0.00 174.74 172.11 1aof h PRO 398 N 6.20 0.34 0.00 2.88 0.11 -1.80 -0.97 132.00 138.76 1aof h PRO 398 Ca -0.42 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.33 1aof h PRO 398 Cb 1.21 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 1aof h PRO 398 CO 0.76 0.23 -2.22 0.25 -0.21 0.00 0.00 178.00 176.81 1aof n THR 399 N -4.87 1.22 0.20 -1.15 -2.24 -1.26 -4.69 114.28 101.49 1aof n THR 399 Ca 0.30 -0.43 0.09 0.00 -2.27 0.00 0.00 64.05 61.74 1aof n THR 399 Cb 0.98 -1.38 0.18 0.00 -2.10 0.00 0.00 70.33 68.01 1aof n THR 399 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1aof h PHE 400 N -0.19 0.00 0.00 4.78 0.04 -1.90 -3.50 116.94 116.17 1aof h PHE 400 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1aof h PHE 400 Cb 1.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.83 1aof h PHE 400 CO 0.00 0.20 0.00 0.41 -0.60 0.00 0.00 178.31 178.32 1aof n GLY 401 N 0.99 -1.53 3.67 -1.45 0.00 -0.37 -4.90 105.19 101.59 1aof n GLY 401 Ca 0.03 -1.60 -0.46 0.00 0.00 0.00 0.00 46.02 43.99 1aof n GLY 401 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aof n PRO 402 N 0.00 2.23 -4.13 1.61 -0.02 -1.26 -1.02 135.00 132.40 1aof n PRO 402 Ca 0.00 0.81 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 1aof n PRO 402 Cb 0.00 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 30.78 1aof n PRO 402 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1aof s VAL 403 N 1.64 0.11 -0.02 -1.45 -7.23 -0.33 -1.77 120.40 111.35 1aof s VAL 403 Ca 0.81 -1.86 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 1aof s VAL 403 Cb -0.66 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1aof s VAL 403 CO 0.40 -0.51 -0.14 0.86 -0.31 0.00 0.00 175.10 175.41 1aof s TRP 404 N -4.03 1.31 0.23 2.82 -0.00 -0.56 -1.61 118.94 117.09 1aof s TRP 404 Ca 0.22 -0.30 0.11 0.00 -0.00 0.00 0.00 56.10 56.13 1aof s TRP 404 Cb 0.07 -0.87 -0.05 0.00 -0.00 0.00 0.00 33.47 32.63 1aof s TRP 404 CO 0.00 -0.08 -0.22 0.00 -0.00 0.00 0.00 176.95 176.66 1aof s ALA 405 N -0.11 2.60 -0.04 5.86 0.00 0.48 -1.21 121.76 129.34 1aof s ALA 405 Ca 0.01 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.14 1aof s ALA 405 Cb -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1aof s ALA 405 CO 0.00 0.35 0.21 -0.08 0.00 0.00 0.00 175.76 176.25 1aof s THR 406 N -2.07 0.04 0.55 0.00 -1.32 -0.87 -2.55 115.64 109.42 1aof s THR 406 Ca 0.25 -0.33 0.08 0.00 -1.21 0.00 0.00 61.69 60.48 1aof s THR 406 Cb -0.06 -0.42 0.06 0.00 -1.51 0.00 0.00 72.50 70.57 1aof s THR 406 CO 0.12 -0.18 0.64 -0.94 -2.21 0.00 0.00 174.62 172.05 1aof s SER 407 N -0.68 4.99 0.11 8.08 1.04 -1.26 -1.38 113.70 124.60 1aof s SER 407 Ca -0.08 -0.94 0.08 0.00 0.48 0.00 0.00 55.95 55.49 1aof s SER 407 Cb -0.04 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1aof s SER 407 CO 0.01 -1.20 -0.19 -1.00 0.98 0.00 0.00 173.24 171.84 1aof s HIS 408 N -2.67 1.67 0.02 5.02 3.76 -1.16 -1.57 115.29 120.36 1aof s HIS 408 Ca 0.52 -0.44 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 1aof s HIS 408 Cb -0.05 -0.90 -0.27 0.00 1.11 0.00 0.00 32.58 32.46 1aof s HIS 408 CO 0.33 0.20 0.91 0.52 -0.85 0.00 0.00 174.74 175.84 1aof h MET 409 N 3.94 0.24 0.00 1.40 2.86 -1.06 -2.64 114.93 119.66 1aof h MET 409 Ca -0.44 -0.41 -0.06 0.00 -2.06 0.00 0.00 59.70 56.74 1aof h MET 409 Cb 1.19 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 1aof h MET 409 CO 0.42 1.11 -0.27 0.78 1.06 0.00 0.00 176.91 180.01 1aof h GLY 410 N 1.76 0.00 -0.66 8.32 0.00 -1.11 0.48 103.07 111.87 1aof h GLY 410 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1aof h GLY 410 CO 0.16 0.00 -0.08 2.09 0.00 0.00 0.00 176.54 178.72 1aof n ASP 411 N -3.20 -0.57 -0.99 0.19 5.68 -1.24 -4.82 116.55 111.60 1aof n ASP 411 Ca 0.02 -1.84 0.09 0.00 -0.50 0.00 0.00 54.79 52.56 1aof n ASP 411 Cb 0.60 1.08 0.24 0.00 -1.14 0.00 0.00 41.12 41.90 1aof n ASP 411 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1aof n ASP 412 N -1.96 2.88 -4.82 -1.12 5.75 -1.26 -4.00 116.55 112.02 1aof n ASP 412 Ca 0.01 -1.99 -0.33 0.00 -0.01 0.00 0.00 54.79 52.47 1aof n ASP 412 Cb 0.26 -0.35 -0.07 0.00 -1.03 0.00 0.00 41.12 39.93 1aof n ASP 412 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1aof s SER 413 N -1.04 6.93 -0.10 -1.12 1.04 -1.26 -0.71 113.70 117.45 1aof s SER 413 Ca 0.36 1.63 0.04 0.00 0.48 0.00 0.00 55.95 58.46 1aof s SER 413 Cb 0.19 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1aof s SER 413 CO 0.25 -0.32 -0.22 -0.69 0.98 0.00 0.00 173.24 173.24 1aof s VAL 414 N -2.12 1.93 0.00 5.02 1.01 0.51 -2.96 120.40 123.80 1aof s VAL 414 Ca 0.60 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1aof s VAL 414 Cb -0.10 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1aof s VAL 414 CO 0.14 0.53 -0.25 0.00 0.00 0.00 0.00 175.10 175.52 1aof s ALA 415 N 0.41 2.25 -0.09 5.51 0.00 -0.48 -1.80 121.76 127.57 1aof s ALA 415 Ca -0.18 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.63 1aof s ALA 415 Cb -0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1aof s ALA 415 CO 0.08 0.54 -0.13 -0.51 0.00 0.00 0.00 175.76 175.73 1aof s LEU 416 N -0.89 2.76 -0.07 0.00 1.43 -0.62 -2.05 118.68 119.25 1aof s LEU 416 Ca 0.11 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1aof s LEU 416 Cb -0.10 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 1aof s LEU 416 CO 0.01 0.27 -0.21 -0.51 0.23 0.00 0.00 176.35 176.13 1aof s ILE 417 N -0.25 1.77 0.29 -0.59 2.07 -0.35 -0.96 121.20 123.18 1aof s ILE 417 Ca 0.02 -0.88 -0.29 0.00 -1.41 0.00 0.00 60.65 58.08 1aof s ILE 417 Cb -0.13 -1.53 -0.10 0.00 0.13 0.00 0.00 42.46 40.83 1aof s ILE 417 CO 0.03 0.50 1.30 -0.83 -1.91 0.00 0.00 174.94 174.03 1aof s GLY 418 N 0.18 2.81 -0.11 1.50 0.00 -1.02 -1.50 107.32 109.18 1aof s GLY 418 Ca -0.11 1.20 0.15 0.00 0.00 0.00 0.00 44.72 45.96 1aof s GLY 418 CO 0.05 1.94 1.13 -1.30 0.00 0.00 0.00 173.10 174.93 1aof n THR 419 N 1.40 1.53 -3.74 0.90 -2.24 -0.73 -0.77 114.28 110.64 1aof n THR 419 Ca 0.02 -1.97 -0.28 0.00 -2.27 0.00 0.00 64.05 59.55 1aof n THR 419 Cb 0.42 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.47 1aof n THR 419 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1aof s ASP 420 N -2.57 3.70 0.44 3.42 2.15 -1.26 -4.94 116.67 117.61 1aof s ASP 420 Ca 0.27 -3.43 0.10 0.00 0.43 0.00 0.00 52.55 49.92 1aof s ASP 420 Cb 0.25 -1.22 0.97 0.00 -0.30 0.00 0.00 42.92 42.62 1aof s ASP 420 CO 0.00 -0.14 2.08 -0.65 -0.17 0.00 0.00 175.17 176.29 1aof h PRO 421 N 5.70 0.39 0.07 4.34 0.11 -1.92 0.10 132.00 140.80 1aof h PRO 421 Ca 0.15 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1aof h PRO 421 Cb 0.83 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1aof h PRO 421 CO 0.59 0.26 -0.03 0.93 -0.21 0.00 0.00 178.00 179.54 1aof h GLU 422 N 0.41 -0.09 0.00 1.05 5.08 -1.96 -3.21 114.58 115.85 1aof h GLU 422 Ca 0.12 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.30 1aof h GLU 422 Cb -0.02 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1aof h GLU 422 CO -0.03 0.48 -1.41 0.78 -1.00 0.00 0.00 179.01 177.83 1aof h GLY 423 N -0.89 0.00 -5.81 -3.84 0.00 -1.98 -3.40 103.07 87.15 1aof h GLY 423 Ca -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 1aof h GLY 423 CO 0.02 0.00 -1.00 1.42 0.00 0.00 0.00 176.54 176.98 1aof n HIS 424 N -2.95 1.40 -0.32 5.60 8.25 0.35 -4.98 115.22 122.57 1aof n HIS 424 Ca -0.10 -3.86 0.18 0.00 -0.26 0.00 0.00 57.72 53.68 1aof n HIS 424 Cb 0.88 -0.44 0.43 0.00 1.12 0.00 0.00 29.99 31.98 1aof n HIS 424 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1aof h PRO 425 N 3.18 0.53 0.00 -0.41 0.13 -1.55 -0.57 132.00 133.31 1aof h PRO 425 Ca 0.11 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 1aof h PRO 425 Cb 0.81 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1aof h PRO 425 CO 0.60 0.35 -0.30 -0.44 -0.23 0.00 0.00 178.00 177.99 1aof h ASP 426 N 0.55 0.00 0.41 1.44 3.32 -1.90 -3.09 116.42 117.15 1aof h ASP 426 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1aof h ASP 426 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1aof h ASP 426 CO -0.33 0.30 -1.14 0.59 -1.72 0.00 0.00 179.24 176.94 1aof n ASN 427 N -3.53 0.58 -4.68 6.45 3.02 -0.28 -4.92 115.26 111.91 1aof n ASN 427 Ca -0.00 -0.17 -0.45 0.00 -0.03 0.00 0.00 54.58 53.92 1aof n ASN 427 Cb 0.45 0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 40.49 1aof n ASN 427 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aof n ALA 428 N -1.89 1.54 -2.52 5.41 0.00 -0.84 -2.87 120.51 119.34 1aof n ALA 428 Ca 0.01 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 1aof n ALA 428 Cb 0.46 -2.50 -0.00 0.00 0.00 0.00 0.00 19.45 17.40 1aof n ALA 428 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1aof n TRP 429 N 5.43 -1.19 -4.73 0.00 5.03 0.05 -4.91 117.44 117.13 1aof n TRP 429 Ca 0.19 0.10 -0.27 0.00 3.03 0.00 0.00 57.50 60.56 1aof n TRP 429 Cb 0.33 -4.09 -0.14 0.00 -1.03 0.00 0.00 31.31 26.37 1aof n TRP 429 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1aof s LYS 430 N -5.18 1.51 -0.46 -0.99 -0.14 -1.14 -4.89 119.74 108.46 1aof s LYS 430 Ca 0.06 -0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 53.40 1aof s LYS 430 Cb -0.03 -1.64 0.02 0.00 -1.68 0.00 0.00 37.83 34.50 1aof s LYS 430 CO 0.07 0.42 1.33 0.42 -0.76 0.00 0.00 175.35 176.84 1aof s ILE 431 N -0.79 3.97 -0.20 2.17 -1.09 -1.26 -2.42 121.20 121.57 1aof s ILE 431 Ca 0.09 0.96 0.19 0.00 -2.23 0.00 0.00 60.65 59.66 1aof s ILE 431 Cb -0.09 -4.37 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 1aof s ILE 431 CO 0.02 -0.91 1.10 -0.07 -1.23 0.00 0.00 174.94 173.84 1aof h LEU 432 N 12.08 0.00 -7.00 2.97 3.38 -1.40 -3.48 115.31 121.85 1aof h LEU 432 Ca -0.26 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1aof h LEU 432 Cb 1.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 1aof h LEU 432 CO 1.12 0.29 0.42 -0.62 0.09 0.00 0.00 178.44 179.74 1aof s ASP 433 N -5.80 -0.45 -0.13 -0.43 -1.08 -1.25 -5.02 116.67 102.51 1aof s ASP 433 Ca 0.00 0.37 -0.05 0.00 -0.52 0.00 0.00 52.55 52.35 1aof s ASP 433 Cb 0.08 0.40 0.06 0.00 -1.46 0.00 0.00 42.92 42.01 1aof s ASP 433 CO 0.78 -0.51 0.28 -0.55 0.52 0.00 0.00 175.17 175.69 1aof s SER 434 N -1.54 0.12 0.06 -0.34 0.15 -1.26 -1.59 113.70 109.30 1aof s SER 434 Ca -0.02 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.22 1aof s SER 434 Cb -0.00 0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 65.00 1aof s SER 434 CO 0.00 -0.22 0.08 0.72 1.20 0.00 0.00 173.24 175.02 1aof s PHE 435 N 2.15 0.32 0.49 3.44 -0.12 -0.75 -4.94 117.98 118.58 1aof s PHE 435 Ca -0.02 -0.77 -0.17 0.00 -0.05 0.00 0.00 56.93 55.92 1aof s PHE 435 Cb -0.11 -0.22 -0.08 0.00 -0.63 0.00 0.00 43.02 41.98 1aof s PHE 435 CO -0.09 -0.44 0.96 -1.25 -0.05 0.00 0.00 175.22 174.36 1aof s PRO 436 N -3.61 3.99 0.00 1.99 0.04 -1.26 -0.36 135.00 135.79 1aof s PRO 436 Ca 0.04 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1aof s PRO 436 Cb 0.05 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1aof s PRO 436 CO -0.09 -0.21 0.00 0.00 0.04 0.00 0.00 177.00 176.74 1aof n ALA 437 N -1.38 0.00 -0.04 8.56 0.00 0.12 -4.89 120.51 122.88 1aof n ALA 437 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 1aof n ALA 437 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1aof n ALA 437 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1aof h LEU 438 N 0.00 0.22 0.00 0.00 3.38 -1.90 -3.49 115.31 113.53 1aof h LEU 438 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1aof h LEU 438 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1aof h LEU 438 CO 0.00 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1aof n GLY 439 N -1.01 -1.66 3.70 0.83 0.00 -1.26 -5.05 105.19 100.73 1aof n GLY 439 Ca -0.04 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1aof n GLY 439 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aof s GLY 440 N 0.00 1.59 0.00 -0.02 0.00 -1.26 -4.24 107.32 103.40 1aof s GLY 440 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1aof s GLY 440 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.06 1aof n GLY 441 N -1.11 0.68 3.77 0.20 0.00 0.16 -3.77 105.19 105.12 1aof n GLY 441 Ca 0.06 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1aof n GLY 441 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aof s SER 442 N -2.50 7.25 -0.04 1.61 0.15 -1.00 -0.34 113.70 118.83 1aof s SER 442 Ca 0.00 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.62 1aof s SER 442 Cb 0.00 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1aof s SER 442 CO 0.00 -0.14 -0.03 0.18 1.20 0.00 0.00 173.24 174.45 1aof n LEU 443 N 0.66 2.83 -4.04 3.45 4.77 -1.26 -3.47 117.00 119.94 1aof n LEU 443 Ca 0.02 -0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1aof n LEU 443 Cb 0.49 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1aof n LEU 443 CO 0.47 0.54 -0.42 -0.36 -1.33 0.00 0.00 177.39 176.28 1aof s PHE 444 N -2.07 0.77 0.01 -1.77 0.08 -1.26 -4.25 117.98 109.49 1aof s PHE 444 Ca -0.05 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 56.81 1aof s PHE 444 Cb 0.01 -0.47 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1aof s PHE 444 CO 0.09 -0.02 -0.23 -1.50 -0.10 0.00 0.00 175.22 173.46 1aof s ILE 445 N -0.61 1.80 -0.02 0.64 2.07 -1.26 -2.32 121.20 121.50 1aof s ILE 445 Ca -0.01 -1.09 -0.16 0.00 -1.41 0.00 0.00 60.65 57.98 1aof s ILE 445 Cb -0.06 -1.52 0.03 0.00 0.13 0.00 0.00 42.46 41.04 1aof s ILE 445 CO 0.00 0.40 0.33 -0.75 -1.91 0.00 0.00 174.94 173.01 1aof s LYS 446 N -0.82 0.69 0.38 3.50 2.47 0.49 -4.45 119.74 122.00 1aof s LYS 446 Ca 0.09 -0.15 -0.13 0.00 -1.56 0.00 0.00 55.97 54.21 1aof s LYS 446 Cb -0.09 0.31 0.05 0.00 -1.46 0.00 0.00 37.83 36.63 1aof s LYS 446 CO 0.00 -0.19 0.74 -0.08 0.16 0.00 0.00 175.35 175.98 1aof s THR 447 N -1.29 0.00 -0.01 3.43 -1.32 -1.26 -0.76 115.64 114.42 1aof s THR 447 Ca -0.13 -1.11 -0.16 0.00 -1.21 0.00 0.00 61.69 59.08 1aof s THR 447 Cb -0.05 -2.86 0.03 0.00 -1.51 0.00 0.00 72.50 68.11 1aof s THR 447 CO 0.05 0.00 0.34 -2.28 -2.21 0.00 0.00 174.62 170.52 1aof s HIS 448 N -2.39 -0.22 0.51 9.09 2.46 -1.26 -4.72 115.29 118.75 1aof s HIS 448 Ca 0.18 0.32 0.25 0.00 0.47 0.00 0.00 55.06 56.28 1aof s HIS 448 Cb -0.04 0.13 1.34 0.00 -0.13 0.00 0.00 32.58 33.88 1aof s HIS 448 CO 0.13 -0.42 1.94 -1.35 -2.47 0.00 0.00 174.74 172.57 1aof h PRO 449 N 3.72 0.09 -0.01 2.88 0.11 -1.93 -1.32 132.00 135.54 1aof h PRO 449 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1aof h PRO 449 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1aof h PRO 449 CO 0.40 0.06 -0.05 0.09 -0.21 0.00 0.00 178.00 178.30 1aof n ASN 450 N -4.37 1.19 -4.82 -2.05 3.02 -1.26 -4.90 115.26 102.07 1aof n ASN 450 Ca 0.14 -1.29 -0.29 0.00 -0.03 0.00 0.00 54.58 53.11 1aof n ASN 450 Cb 0.70 0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.83 1aof n ASN 450 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1aof s SER 451 N -2.11 5.73 0.00 6.41 0.15 -0.50 -4.97 113.70 118.40 1aof s SER 451 Ca 0.36 0.02 0.15 0.00 0.70 0.00 0.00 55.95 57.18 1aof s SER 451 Cb 0.21 -1.58 0.38 0.00 -1.71 0.00 0.00 66.02 63.32 1aof s SER 451 CO 0.38 0.13 1.31 0.00 1.20 0.00 0.00 173.24 176.26 1aof n GLN 452 N 0.11 2.63 -4.26 5.44 10.64 -1.26 -4.72 117.38 125.97 1aof n GLN 452 Ca -0.08 -2.16 -0.29 0.00 -1.83 0.00 0.00 57.00 52.64 1aof n GLN 452 Cb 0.53 -1.36 -0.10 0.00 -0.86 0.00 0.00 30.24 28.44 1aof n GLN 452 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1aof s TYR 453 N -1.03 2.66 -0.22 2.61 2.02 -1.26 -0.26 117.35 121.87 1aof s TYR 453 Ca 0.30 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.82 1aof s TYR 453 Cb 0.16 -1.39 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 1aof s TYR 453 CO 0.21 0.42 -0.15 -1.17 -1.57 0.00 0.00 175.55 173.30 1aof s LEU 454 N -2.26 2.81 -0.16 -1.29 2.96 -0.11 -4.55 118.68 116.10 1aof s LEU 454 Ca 0.21 -1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 52.95 1aof s LEU 454 Cb -0.11 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 1aof s LEU 454 CO 0.13 -0.10 0.25 -0.31 -1.32 0.00 0.00 176.35 175.00 1aof s TYR 455 N 1.20 3.47 -0.08 5.38 1.51 0.06 -0.84 117.35 128.05 1aof s TYR 455 Ca -0.02 0.55 0.00 0.00 -1.01 0.00 0.00 57.07 56.59 1aof s TYR 455 Cb -0.17 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.44 1aof s TYR 455 CO -0.09 0.31 -0.07 0.08 -1.11 0.00 0.00 175.55 174.67 1aof s VAL 456 N 0.25 0.86 0.75 0.71 1.01 0.46 -0.38 120.40 124.06 1aof s VAL 456 Ca 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1aof s VAL 456 Cb -0.13 -0.88 0.15 0.00 0.00 0.00 0.00 36.38 35.53 1aof s VAL 456 CO 0.03 0.32 1.03 -0.90 0.00 0.00 0.00 175.10 175.59 1aof n ASP 457 N 4.54 1.12 -2.71 3.32 5.68 -0.98 -0.75 116.55 126.77 1aof n ASP 457 Ca -0.16 -2.01 -0.05 0.00 -0.50 0.00 0.00 54.79 52.07 1aof n ASP 457 Cb 0.51 -0.69 0.08 0.00 -1.14 0.00 0.00 41.12 39.88 1aof n ASP 457 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aof n ALA 458 N -3.06 2.45 -0.31 2.12 0.00 -1.26 -4.39 120.51 116.05 1aof n ALA 458 Ca -0.17 -2.00 0.08 0.00 0.00 0.00 0.00 53.44 51.35 1aof n ALA 458 Cb 0.58 -0.92 0.19 0.00 0.00 0.00 0.00 19.45 19.29 1aof n ALA 458 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1aof h THR 459 N 3.40 0.14 -0.37 0.00 2.02 -1.57 -1.54 112.91 114.99 1aof h THR 459 Ca -0.24 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1aof h THR 459 Cb 1.26 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1aof h THR 459 CO 0.10 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.18 1aof n LEU 460 N -5.48 2.07 -4.74 2.58 4.77 0.53 -4.77 117.00 111.97 1aof n LEU 460 Ca 0.17 -1.04 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 1aof n LEU 460 Cb 0.56 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1aof n LEU 460 CO -0.04 0.50 1.05 0.21 -1.33 0.00 0.00 177.39 177.78 1aof s ASN 461 N -0.97 6.78 0.52 -1.43 3.84 -0.58 -4.75 114.94 118.36 1aof s ASN 461 Ca 0.25 2.49 0.27 0.00 0.21 0.00 0.00 52.86 56.08 1aof s ASN 461 Cb 0.13 -2.61 1.45 0.00 -0.55 0.00 0.00 41.25 39.68 1aof s ASN 461 CO 0.16 -0.62 2.08 1.55 -2.79 0.00 0.00 177.10 177.48 1aof h PRO 462 N 5.56 0.00 -5.96 0.43 0.13 -1.90 -3.40 132.00 126.87 1aof h PRO 462 Ca -0.45 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 1aof h PRO 462 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1aof h PRO 462 CO 0.80 0.11 0.58 -2.00 -0.23 0.00 0.00 178.00 177.26 1aof s GLU 463 N -4.24 4.07 0.32 0.86 2.12 -1.26 -4.95 118.70 115.61 1aof s GLU 463 Ca -0.03 0.88 0.07 0.00 0.36 0.00 0.00 54.97 56.25 1aof s GLU 463 Cb 0.13 -3.70 0.76 0.00 0.26 0.00 0.00 34.13 31.59 1aof s GLU 463 CO 0.59 -0.70 1.79 0.00 -0.54 0.00 0.00 175.26 176.40 1aof h ALA 464 N 7.94 1.73 -0.33 6.30 0.00 -1.96 -0.37 119.26 132.57 1aof h ALA 464 Ca -0.22 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1aof h ALA 464 Cb 1.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1aof h ALA 464 CO 0.93 -0.08 0.08 0.93 0.00 0.00 0.00 179.25 181.12 1aof h GLU 465 N 0.75 0.47 0.07 0.00 5.08 -1.95 -1.89 114.58 117.10 1aof h GLU 465 Ca 0.56 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.68 1aof h GLU 465 Cb 0.89 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1aof h GLU 465 CO -0.34 0.43 -0.82 0.82 -1.00 0.00 0.00 179.01 178.10 1aof h ILE 466 N 0.46 1.35 0.00 3.13 2.04 -1.50 -3.32 117.51 119.67 1aof h ILE 466 Ca 0.11 -2.38 -0.01 0.00 1.00 0.00 0.00 64.86 63.58 1aof h ILE 466 Cb 0.18 2.95 -0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1aof h ILE 466 CO -0.00 0.61 -0.04 0.77 0.00 0.00 0.00 178.15 179.49 1aof h SER 467 N -0.65 0.00 -0.54 1.72 4.64 -1.12 -1.68 113.55 115.92 1aof h SER 467 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1aof h SER 467 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1aof h SER 467 CO 0.02 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1aof n GLY 468 N -0.75 2.08 3.39 -0.77 0.00 -0.72 -0.85 105.19 107.57 1aof n GLY 468 Ca -0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 1aof n GLY 468 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aof s SER 469 N -0.86 1.87 -0.01 1.61 0.01 -0.63 -1.40 113.70 114.29 1aof s SER 469 Ca 0.41 -1.44 0.01 0.00 1.31 0.00 0.00 55.95 56.24 1aof s SER 469 Cb 0.25 0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.63 1aof s SER 469 CO 0.22 -0.73 -0.04 -0.69 0.41 0.00 0.00 173.24 172.40 1aof s VAL 470 N -3.50 0.36 -0.06 3.43 1.01 -0.83 -4.21 120.40 116.60 1aof s VAL 470 Ca 0.35 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1aof s VAL 470 Cb 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1aof s VAL 470 CO 0.15 0.11 0.36 0.00 0.00 0.00 0.00 175.10 175.72 1aof s ALA 471 N -0.00 3.67 -0.14 5.51 0.00 0.07 -0.96 121.76 129.91 1aof s ALA 471 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1aof s ALA 471 Cb -0.03 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.74 1aof s ALA 471 CO -0.00 0.37 -0.13 0.08 0.00 0.00 0.00 175.76 176.08 1aof s VAL 472 N -0.60 1.47 -0.11 0.00 1.01 0.20 -0.40 120.40 121.96 1aof s VAL 472 Ca 0.22 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1aof s VAL 472 Cb -0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1aof s VAL 472 CO 0.10 0.43 0.09 -0.36 0.00 0.00 0.00 175.10 175.36 1aof s PHE 473 N 1.53 3.42 -0.48 5.22 0.40 -0.02 -1.11 117.98 126.94 1aof s PHE 473 Ca 0.05 0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 56.53 1aof s PHE 473 Cb -0.13 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.54 1aof s PHE 473 CO -0.10 0.60 0.79 0.34 0.70 0.00 0.00 175.22 177.55 1aof s ASP 474 N -0.87 6.36 0.21 1.36 -1.08 -1.26 -0.93 116.67 120.46 1aof s ASP 474 Ca 0.14 -0.29 -0.09 0.00 -0.52 0.00 0.00 52.55 51.78 1aof s ASP 474 Cb -0.12 -2.38 0.29 0.00 -1.46 0.00 0.00 42.92 39.25 1aof s ASP 474 CO 0.03 -0.97 1.76 0.40 0.52 0.00 0.00 175.17 176.91 1aof h ILE 475 N 5.96 0.82 0.00 4.11 2.04 -0.98 -2.07 117.51 127.40 1aof h ILE 475 Ca -0.25 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1aof h ILE 475 Cb 1.08 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1aof h ILE 475 CO 0.98 0.09 -0.04 0.11 0.00 0.00 0.00 178.15 179.30 1aof h LYS 476 N 0.50 0.00 -0.01 2.37 1.57 -1.92 -1.53 116.57 117.55 1aof h LYS 476 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1aof h LYS 476 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1aof h LYS 476 CO -0.27 0.04 -0.05 0.00 -0.57 0.00 0.00 179.45 178.59 1aof n ALA 477 N -2.36 2.70 -2.33 3.86 0.00 -0.78 -4.89 120.51 116.69 1aof n ALA 477 Ca -0.03 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1aof n ALA 477 Cb 0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 1aof n ALA 477 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1aof s MET 478 N -2.18 4.60 -0.02 0.00 -1.94 -0.58 -4.92 119.30 114.27 1aof s MET 478 Ca 0.37 1.57 0.05 0.00 -1.71 0.00 0.00 55.69 55.96 1aof s MET 478 Cb 0.21 -3.36 -0.07 0.00 2.01 0.00 0.00 34.83 33.61 1aof s MET 478 CO 0.40 0.04 0.09 0.25 -0.01 0.00 0.00 175.02 175.79 1aof n THR 479 N 3.11 0.07 -2.78 2.05 -2.24 -1.26 -4.43 114.28 108.80 1aof n THR 479 Ca 0.04 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.52 1aof n THR 479 Cb 0.48 0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1aof n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aof n GLY 480 N 2.33 -0.23 0.78 3.38 0.00 -1.26 -4.68 105.19 105.50 1aof n GLY 480 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1aof n GLY 480 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aof n ASP 481 N -1.42 2.32 0.00 1.61 5.68 -1.26 -4.91 116.55 118.57 1aof n ASP 481 Ca -0.10 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1aof n ASP 481 Cb 0.60 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1aof n ASP 481 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aof n GLY 482 N 1.25 2.01 3.83 6.12 0.00 -1.26 -5.07 105.19 112.07 1aof n GLY 482 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1aof n GLY 482 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aof s SER 483 N -1.50 6.87 -0.24 1.61 1.04 -1.26 -5.00 113.70 115.21 1aof s SER 483 Ca 0.00 1.60 -0.29 0.00 0.48 0.00 0.00 55.95 57.74 1aof s SER 483 Cb 0.00 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.62 1aof s SER 483 CO 0.00 -0.36 1.06 -1.81 0.98 0.00 0.00 173.24 173.11 1aof s ASP 484 N -2.32 7.06 0.36 7.02 1.01 -1.26 -4.86 116.67 123.68 1aof s ASP 484 Ca 0.60 1.34 -0.28 0.00 0.71 0.00 0.00 52.55 54.92 1aof s ASP 484 Cb -0.09 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.19 1aof s ASP 484 CO 0.16 -0.72 1.51 -2.84 0.21 0.00 0.00 175.17 173.49 1aof s PRO 485 N 3.31 4.11 0.36 8.23 0.02 -1.26 -4.97 135.00 144.79 1aof s PRO 485 Ca 0.45 2.57 -0.13 0.00 0.02 0.00 0.00 61.00 63.91 1aof s PRO 485 Cb -0.15 -2.98 -0.08 0.00 0.02 0.00 0.00 34.50 31.31 1aof s PRO 485 CO 0.08 -0.55 0.75 -1.83 -0.33 0.00 0.00 177.00 175.13 1aof s GLU 486 N -1.81 3.92 0.19 5.54 -1.05 -1.26 -4.95 118.70 119.28 1aof s GLU 486 Ca 0.55 0.60 0.06 0.00 -0.15 0.00 0.00 54.97 56.03 1aof s GLU 486 Cb -0.47 -2.41 -0.05 0.00 -0.44 0.00 0.00 34.13 30.77 1aof s GLU 486 CO 0.60 0.07 -0.12 -0.59 0.95 0.00 0.00 175.26 176.18 1aof s PHE 487 N -2.15 1.54 -0.03 4.83 -0.12 -1.26 -4.50 117.98 116.29 1aof s PHE 487 Ca 0.53 -0.67 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1aof s PHE 487 Cb -0.10 -0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 1aof s PHE 487 CO 0.23 0.23 0.15 0.21 -0.05 0.00 0.00 175.22 175.98 1aof s LYS 488 N -3.70 3.34 -0.21 1.99 2.20 -0.27 -4.87 119.74 118.22 1aof s LYS 488 Ca 0.21 -0.33 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 1aof s LYS 488 Cb 0.01 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1aof s LYS 488 CO 0.05 0.69 0.05 0.99 -0.36 0.00 0.00 175.35 176.77 1aof s THR 489 N -1.23 4.43 -0.29 3.43 2.01 -1.26 -0.63 115.64 122.10 1aof s THR 489 Ca 0.24 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 1aof s THR 489 Cb -0.12 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 1aof s THR 489 CO 0.14 0.41 0.15 -0.76 -0.69 0.00 0.00 174.62 173.87 1aof s LEU 490 N 0.94 3.97 -1.45 4.42 1.43 -0.13 -4.96 118.68 122.89 1aof s LEU 490 Ca 0.03 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 1aof s LEU 490 Cb -0.14 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1aof s LEU 490 CO 0.03 -0.14 2.28 -0.81 0.23 0.00 0.00 176.35 177.94 1aof n PRO 491 N 4.99 2.88 -0.06 1.29 -0.04 -1.26 -1.97 135.00 140.83 1aof n PRO 491 Ca -0.14 -2.54 -0.07 0.00 -0.04 0.00 0.00 63.50 60.70 1aof n PRO 491 Cb 0.50 -3.24 -0.01 0.00 -0.04 0.00 0.00 33.50 30.72 1aof n PRO 491 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1aof h ILE 492 N 3.93 0.48 -0.86 0.52 1.08 -1.88 0.41 117.51 121.19 1aof h ILE 492 Ca 0.59 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 65.04 1aof h ILE 492 Cb 0.61 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1aof h ILE 492 CO 1.88 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 179.78 1aof h ALA 493 N 1.00 1.14 -0.53 1.87 0.00 -1.54 -1.59 119.26 119.60 1aof h ALA 493 Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1aof h ALA 493 Cb 0.39 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1aof h ALA 493 CO -0.37 0.66 0.21 1.49 0.00 0.00 0.00 179.25 181.24 1aof h GLU 494 N 1.22 0.79 -0.64 0.00 4.81 -1.66 -2.01 114.58 117.10 1aof h GLU 494 Ca 0.30 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1aof h GLU 494 Cb 0.09 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1aof h GLU 494 CO -0.04 0.69 0.41 -1.49 -0.73 0.00 0.00 179.01 177.86 1aof h TRP 495 N 0.72 0.81 0.00 0.92 6.55 -0.45 -0.92 115.95 123.58 1aof h TRP 495 Ca 0.18 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.03 1aof h TRP 495 Cb 0.19 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.22 1aof h TRP 495 CO 0.01 0.52 0.00 0.00 -1.05 0.00 0.00 178.44 177.91 1aof n ALA 496 N -2.44 1.87 -2.82 1.49 0.00 -0.64 -4.89 120.51 113.07 1aof n ALA 496 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1aof n ALA 496 Cb 0.05 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.19 1aof n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aof n GLY 497 N 0.46 0.09 3.12 0.00 0.00 -0.35 -5.02 105.19 103.50 1aof n GLY 497 Ca 0.04 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1aof n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aof s ILE 498 N -2.99 2.07 0.00 -0.61 1.01 -1.05 -4.94 121.20 114.69 1aof s ILE 498 Ca 0.22 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1aof s ILE 498 Cb -0.10 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1aof s ILE 498 CO 0.27 0.54 0.00 0.41 0.00 0.00 0.00 174.94 176.16 1aof n THR 499 N 4.60 0.00 -1.91 2.92 -1.04 -1.26 -4.55 114.28 113.05 1aof n THR 499 Ca -0.21 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.38 1aof n THR 499 Cb 0.50 -0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 1aof n THR 499 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1aof s GLU 500 N -1.90 4.21 0.84 -2.82 -1.05 -1.26 -4.66 118.70 112.06 1aof s GLU 500 Ca 0.00 2.39 0.00 0.00 -0.15 0.00 0.00 54.97 57.21 1aof s GLU 500 Cb 0.00 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 1aof s GLU 500 CO 0.00 -0.61 0.00 0.41 0.95 0.00 0.00 175.26 176.01 1aof n GLY 501 N 3.66 -1.82 3.07 -3.83 0.00 -1.26 -4.44 105.19 100.56 1aof n GLY 501 Ca 0.14 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1aof n GLY 501 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aof s GLN 502 N -0.73 2.77 0.40 1.61 0.74 -1.26 -5.07 119.66 118.11 1aof s GLN 502 Ca 0.00 -2.89 -0.27 0.00 0.05 0.00 0.00 55.36 52.25 1aof s GLN 502 Cb 0.00 -3.75 -0.09 0.00 1.10 0.00 0.00 33.01 30.27 1aof s GLN 502 CO 0.00 -1.21 1.40 -1.25 -0.55 0.00 0.00 175.29 173.67 1aof s PRO 503 N -0.69 3.98 -0.17 1.67 0.04 -1.26 -4.92 135.00 133.65 1aof s PRO 503 Ca 0.21 2.37 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 1aof s PRO 503 Cb -0.14 -2.83 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 1aof s PRO 503 CO -0.08 -0.56 -0.12 1.03 0.04 0.00 0.00 177.00 177.31 1aof s ARG 504 N -2.20 3.27 0.06 4.56 0.52 -0.39 -4.13 118.95 120.63 1aof s ARG 504 Ca 0.56 -0.71 -0.28 0.00 -0.52 0.00 0.00 55.73 54.77 1aof s ARG 504 Cb -0.43 -2.73 -0.05 0.00 0.52 0.00 0.00 34.95 32.27 1aof s ARG 504 CO 0.56 -0.03 0.89 0.08 0.02 0.00 0.00 175.30 176.83 1aof s VAL 505 N 0.96 4.66 -0.07 3.52 1.01 -0.03 -0.86 120.40 129.58 1aof s VAL 505 Ca -0.02 1.91 -0.08 0.00 0.00 0.00 0.00 61.98 63.78 1aof s VAL 505 Cb -0.15 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1aof s VAL 505 CO -0.01 0.30 0.23 0.54 0.00 0.00 0.00 175.10 176.15 1aof s VAL 506 N 0.21 0.01 -0.08 2.92 0.11 -0.66 -3.83 120.40 119.09 1aof s VAL 506 Ca 0.45 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.35 1aof s VAL 506 Cb -0.22 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1aof s VAL 506 CO 0.27 -0.05 0.12 1.67 -3.33 0.00 0.00 175.10 173.78 1aof n GLN 507 N 2.72 -3.98 -2.84 1.54 7.27 -1.26 -2.30 117.38 118.53 1aof n GLN 507 Ca -0.14 2.98 -0.34 0.00 0.07 0.00 0.00 57.00 59.57 1aof n GLN 507 Cb 0.58 -4.01 -0.07 0.00 2.41 0.00 0.00 30.24 29.15 1aof n GLN 507 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1aof s GLY 508 N -0.50 2.49 -0.16 1.69 0.00 -1.26 -4.29 107.32 105.30 1aof s GLY 508 Ca -0.14 0.40 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 1aof s GLY 508 CO 0.37 0.72 0.36 1.85 0.00 0.00 0.00 173.10 176.41 1aof s GLU 509 N -2.86 0.32 0.54 2.90 2.56 -0.45 -4.89 118.70 116.81 1aof s GLU 509 Ca 0.58 0.78 -0.06 0.00 0.00 0.00 0.00 54.97 56.27 1aof s GLU 509 Cb -0.12 0.02 -0.02 0.00 2.00 0.00 0.00 34.13 36.02 1aof s GLU 509 CO 0.16 -0.19 0.85 -0.06 -0.56 0.00 0.00 175.26 175.46 1aof s PHE 510 N 1.71 3.42 0.87 5.30 0.40 -1.26 -0.36 117.98 128.05 1aof s PHE 510 Ca -0.07 0.75 -0.10 0.00 -0.60 0.00 0.00 56.93 56.92 1aof s PHE 510 Cb -0.10 -2.53 0.18 0.00 0.51 0.00 0.00 43.02 41.08 1aof s PHE 510 CO -0.11 -0.55 1.20 0.54 0.70 0.00 0.00 175.22 176.99 1aof s ASN 511 N -4.20 3.55 0.29 1.36 4.22 -0.76 -4.62 114.94 114.78 1aof s ASN 511 Ca 0.51 -0.04 0.03 0.00 -2.14 0.00 0.00 52.86 51.22 1aof s ASN 511 Cb -0.10 -0.11 0.63 0.00 1.28 0.00 0.00 41.25 42.94 1aof s ASN 511 CO 0.45 -2.42 1.80 0.50 -2.04 0.00 0.00 177.10 175.39 1aof h LYS 512 N -1.21 0.82 0.00 3.55 3.64 -1.88 -2.35 116.57 119.14 1aof h LYS 512 Ca -0.41 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1aof h LYS 512 Cb 1.24 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1aof h LYS 512 CO 0.37 0.55 -0.42 -0.25 -2.27 0.00 0.00 179.45 177.43 1aof n ASP 513 N -4.72 0.48 -0.75 4.20 8.00 -1.26 -4.94 116.55 117.55 1aof n ASP 513 Ca 0.21 0.03 -0.07 0.00 0.71 0.00 0.00 54.79 55.67 1aof n ASP 513 Cb 0.46 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 1aof n ASP 513 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aof n GLY 514 N 1.45 0.22 0.02 0.44 0.00 -0.89 -4.79 105.19 101.64 1aof n GLY 514 Ca 0.05 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1aof n GLY 514 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aof n THR 515 N -3.81 0.06 -3.97 2.61 -2.24 -1.26 -4.45 114.28 101.22 1aof n THR 515 Ca -0.08 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1aof n THR 515 Cb 0.51 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.68 1aof n THR 515 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1aof s GLU 516 N -3.45 0.26 -0.06 -0.78 2.02 -1.26 -1.09 118.70 114.34 1aof s GLU 516 Ca -0.06 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.54 1aof s GLU 516 Cb 0.14 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.36 1aof s GLU 516 CO 0.89 -0.01 -0.16 0.54 0.02 0.00 0.00 175.26 176.54 1aof s VAL 517 N -0.94 1.39 0.01 2.63 0.11 -0.58 -1.83 120.40 121.19 1aof s VAL 517 Ca -0.09 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1aof s VAL 517 Cb -0.07 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1aof s VAL 517 CO -0.00 0.41 0.13 0.26 -3.33 0.00 0.00 175.10 172.56 1aof s TRP 518 N 0.26 3.39 0.03 1.54 0.52 0.51 -0.69 118.94 124.50 1aof s TRP 518 Ca -0.09 0.25 0.02 0.00 0.02 0.00 0.00 56.10 56.30 1aof s TRP 518 Cb -0.13 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 1aof s TRP 518 CO 0.03 0.58 -0.08 -0.06 0.02 0.00 0.00 176.95 177.45 1aof s PHE 519 N -1.30 0.70 -0.05 -1.98 0.08 -0.27 -1.35 117.98 113.80 1aof s PHE 519 Ca 0.27 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 1aof s PHE 519 Cb -0.12 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.86 1aof s PHE 519 CO 0.18 -0.04 0.32 -1.12 -0.10 0.00 0.00 175.22 174.45 1aof s SER 520 N -1.14 6.65 -0.67 1.36 0.01 -0.97 -1.14 113.70 117.79 1aof s SER 520 Ca -0.05 0.77 -0.04 0.00 1.31 0.00 0.00 55.95 57.94 1aof s SER 520 Cb -0.08 -2.19 0.17 0.00 0.21 0.00 0.00 66.02 64.14 1aof s SER 520 CO 0.00 0.32 0.50 -0.69 0.41 0.00 0.00 173.24 173.79 1aof s VAL 521 N -0.88 3.98 -0.48 3.43 1.01 0.19 -1.65 120.40 126.00 1aof s VAL 521 Ca 0.20 -2.98 -0.29 0.00 0.00 0.00 0.00 61.98 58.92 1aof s VAL 521 Cb -0.15 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1aof s VAL 521 CO 0.10 -0.91 1.25 0.86 0.00 0.00 0.00 175.10 176.40 1aof s TRP 522 N -0.14 2.61 0.46 5.22 -0.00 -0.04 -2.43 118.94 124.61 1aof s TRP 522 Ca 0.18 0.63 0.04 0.00 -0.00 0.00 0.00 56.10 56.95 1aof s TRP 522 Cb -0.18 -4.42 -0.04 0.00 -0.00 0.00 0.00 33.47 28.83 1aof s TRP 522 CO -0.04 -1.59 0.01 1.21 -0.00 0.00 0.00 176.95 176.54 1aof s ASN 523 N 3.15 3.88 0.87 5.86 3.84 -1.26 -1.27 114.94 130.02 1aof s ASN 523 Ca 0.51 -1.53 -0.11 0.00 0.21 0.00 0.00 52.86 51.95 1aof s ASN 523 Cb -0.09 0.12 0.12 0.00 -0.55 0.00 0.00 41.25 40.85 1aof s ASN 523 CO 0.31 -0.68 1.14 -0.83 -2.79 0.00 0.00 177.10 174.24 1aof s GLY 524 N -3.78 1.74 0.46 1.21 0.00 -1.26 -4.34 107.32 101.35 1aof s GLY 524 Ca 0.20 0.55 0.23 0.00 0.00 0.00 0.00 44.72 45.70 1aof s GLY 524 CO 0.10 0.96 1.87 1.70 0.00 0.00 0.00 173.10 177.73 1aof h LYS 525 N -1.61 0.24 -0.40 2.90 3.64 -1.99 0.13 116.57 119.48 1aof h LYS 525 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1aof h LYS 525 Cb 1.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1aof h LYS 525 CO 0.44 0.16 0.00 -0.25 -2.27 0.00 0.00 179.45 177.53 1aof n ASP 526 N -4.43 3.38 -4.93 4.20 8.00 -1.26 -4.86 116.55 116.66 1aof n ASP 526 Ca 0.19 -2.22 -0.23 0.00 0.71 0.00 0.00 54.79 53.24 1aof n ASP 526 Cb 0.78 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1aof n ASP 526 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1aof s GLN 527 N -1.39 2.35 -0.17 -1.24 -1.52 0.44 -5.10 119.66 113.03 1aof s GLN 527 Ca 0.32 -1.78 -0.16 0.00 -1.95 0.00 0.00 55.36 51.78 1aof s GLN 527 Cb 0.19 -2.31 -0.04 0.00 -0.22 0.00 0.00 33.01 30.63 1aof s GLN 527 CO 0.17 -0.55 0.40 -2.00 -0.25 0.00 0.00 175.29 173.07 1aof s GLU 528 N -4.33 4.24 0.46 2.91 2.12 -1.26 -4.70 118.70 118.13 1aof s GLU 528 Ca 0.45 0.25 0.04 0.00 0.36 0.00 0.00 54.97 56.07 1aof s GLU 528 Cb -0.03 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1aof s GLU 528 CO 0.27 0.06 0.02 -1.12 -0.54 0.00 0.00 175.26 173.96 1aof s SER 529 N 0.82 4.03 0.17 -1.70 0.01 -1.26 -4.58 113.70 111.19 1aof s SER 529 Ca 0.20 -1.47 -0.24 0.00 1.31 0.00 0.00 55.95 55.75 1aof s SER 529 Cb -0.14 0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.16 1aof s SER 529 CO 0.08 -0.64 0.96 0.00 0.41 0.00 0.00 173.24 174.04 1aof s ALA 530 N -2.78 -1.59 -0.06 1.44 0.00 -1.02 -4.76 121.76 112.99 1aof s ALA 530 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.24 1aof s ALA 530 Cb 0.06 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1aof s ALA 530 CO 0.12 -1.05 -0.22 -0.51 0.00 0.00 0.00 175.76 174.10 1aof s LEU 531 N -3.01 2.01 -0.13 0.00 1.43 -0.66 -0.64 118.68 117.67 1aof s LEU 531 Ca 0.14 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1aof s LEU 531 Cb -0.02 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 1aof s LEU 531 CO 0.03 0.21 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 1aof s VAL 532 N -0.05 2.60 -0.20 -1.59 1.01 -0.29 -0.58 120.40 121.30 1aof s VAL 532 Ca -0.05 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1aof s VAL 532 Cb -0.13 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1aof s VAL 532 CO 0.04 0.53 0.05 -0.69 0.00 0.00 0.00 175.10 175.03 1aof s VAL 533 N 0.53 4.50 -0.09 2.92 1.01 -0.03 -1.12 120.40 128.13 1aof s VAL 533 Ca -0.11 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1aof s VAL 533 Cb -0.16 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1aof s VAL 533 CO 0.04 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1aof s VAL 534 N 0.85 3.29 -0.31 2.92 1.01 0.14 -0.59 120.40 127.71 1aof s VAL 534 Ca 0.03 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1aof s VAL 534 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1aof s VAL 534 CO 0.02 0.57 1.29 -0.62 0.00 0.00 0.00 175.10 176.36 1aof s ASP 535 N -0.36 6.68 0.31 3.32 -1.08 -0.08 -1.53 116.67 123.92 1aof s ASP 535 Ca 0.04 1.18 -0.01 0.00 -0.52 0.00 0.00 52.55 53.23 1aof s ASP 535 Cb -0.12 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.27 1aof s ASP 535 CO 0.02 -1.08 1.97 -0.78 0.52 0.00 0.00 175.17 175.82 1aof h ASP 536 N 9.26 0.92 0.28 -0.34 3.58 -1.44 0.21 116.42 128.89 1aof h ASP 536 Ca -0.26 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.03 1aof h ASP 536 Cb 1.10 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1aof h ASP 536 CO 1.04 0.66 -0.54 0.11 -2.88 0.00 0.00 179.24 177.63 1aof h LYS 537 N 1.09 0.28 0.00 0.28 1.57 -1.92 -3.33 116.57 114.53 1aof h LYS 537 Ca 0.30 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1aof h LYS 537 Cb -0.11 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1aof h LYS 537 CO -0.07 0.75 -0.92 0.25 -0.57 0.00 0.00 179.45 178.89 1aof n THR 538 N -3.93 0.00 -2.11 -0.16 -2.24 -1.14 -5.00 114.28 99.71 1aof n THR 538 Ca -0.02 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 1aof n THR 538 Cb 0.57 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1aof n THR 538 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aof n LEU 539 N -1.51 -1.57 -4.77 3.22 4.77 0.71 -5.01 117.00 112.84 1aof n LEU 539 Ca 0.00 0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 1aof n LEU 539 Cb 0.22 -2.29 -0.05 0.00 -2.33 0.00 0.00 43.42 38.97 1aof n LEU 539 CO 0.23 -0.30 -0.22 -1.61 -1.33 0.00 0.00 177.39 174.16 1aof s GLU 540 N -4.44 2.74 0.23 3.23 2.02 -1.23 -4.89 118.70 116.35 1aof s GLU 540 Ca 0.00 -1.12 -0.31 0.00 0.02 0.00 0.00 54.97 53.56 1aof s GLU 540 Cb 0.00 -2.46 -0.10 0.00 0.10 0.00 0.00 34.13 31.66 1aof s GLU 540 CO 0.00 0.41 1.53 -1.17 0.02 0.00 0.00 175.26 176.04 1aof s LEU 541 N -3.65 4.37 -0.16 1.80 2.96 -1.26 -0.90 118.68 121.84 1aof s LEU 541 Ca 0.32 2.73 -0.04 0.00 -0.22 0.00 0.00 54.13 56.92 1aof s LEU 541 Cb -0.08 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 1aof s LEU 541 CO 0.23 -0.80 -0.18 1.17 -1.32 0.00 0.00 176.35 175.45 1aof n LYS 542 N 2.85 0.37 -3.56 1.98 3.00 0.24 -4.77 118.16 118.27 1aof n LYS 542 Ca 0.10 0.12 -0.14 0.00 -0.00 0.00 0.00 58.31 58.39 1aof n LYS 542 Cb 0.39 -1.20 -0.06 0.00 0.00 0.00 0.00 35.03 34.16 1aof n LYS 542 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1aof s HIS 543 N -2.31 -0.53 -0.17 5.64 5.04 -0.99 -5.00 115.29 116.97 1aof s HIS 543 Ca -0.22 0.96 0.00 0.00 -1.54 0.00 0.00 55.06 54.26 1aof s HIS 543 Cb 0.07 0.42 0.01 0.00 0.04 0.00 0.00 32.58 33.12 1aof s HIS 543 CO 0.32 -0.47 -0.16 0.08 -2.34 0.00 0.00 174.74 172.17 1aof s VAL 544 N -1.01 2.46 -0.26 0.89 1.01 -1.26 -0.85 120.40 121.38 1aof s VAL 544 Ca -0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1aof s VAL 544 Cb -0.01 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1aof s VAL 544 CO 0.05 0.52 0.14 -0.63 0.00 0.00 0.00 175.10 175.18 1aof s ILE 545 N 1.06 4.96 -0.00 2.22 1.01 0.26 -4.97 121.20 125.73 1aof s ILE 545 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1aof s ILE 545 Cb -0.14 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 1aof s ILE 545 CO -0.05 0.29 -0.05 -0.54 0.00 0.00 0.00 174.94 174.59 1aof s LYS 546 N 1.63 0.43 -0.21 2.79 1.02 -1.26 -1.66 119.74 122.47 1aof s LYS 546 Ca 0.07 -0.19 -0.27 0.00 0.02 0.00 0.00 55.97 55.60 1aof s LYS 546 Cb -0.15 -0.41 0.10 0.00 -0.52 0.00 0.00 37.83 36.84 1aof s LYS 546 CO 0.08 0.11 0.88 0.34 -0.92 0.00 0.00 175.35 175.84 1aof s ASP 547 N -0.11 -0.55 0.49 2.83 -1.08 -1.26 -5.03 116.67 111.96 1aof s ASP 547 Ca 0.02 0.90 0.20 0.00 -0.52 0.00 0.00 52.55 53.15 1aof s ASP 547 Cb -0.02 0.85 1.24 0.00 -1.46 0.00 0.00 42.92 43.53 1aof s ASP 547 CO -0.00 -0.30 2.00 -0.33 0.52 0.00 0.00 175.17 177.06 1aof h GLU 548 N 3.85 0.16 0.00 4.34 4.39 -2.01 -1.33 114.58 123.98 1aof h GLU 548 Ca -0.26 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1aof h GLU 548 Cb 1.16 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1aof h GLU 548 CO 0.19 0.10 0.00 0.00 -1.16 0.00 0.00 179.01 178.14 1aof h ARG 549 N 0.16 0.00 -5.40 2.33 3.08 -2.02 -3.40 114.38 109.13 1aof h ARG 549 Ca 0.25 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.63 1aof h ARG 549 Cb 0.76 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 1aof h ARG 549 CO -0.04 0.00 2.34 -0.11 -1.07 0.00 0.00 179.97 181.09 1aof n LEU 550 N -3.01 5.22 -4.74 3.04 7.94 -0.50 -4.96 117.00 119.99 1aof n LEU 550 Ca 0.02 -3.90 -0.37 0.00 -1.11 0.00 0.00 56.01 50.66 1aof n LEU 550 Cb 0.40 -1.72 -0.07 0.00 0.53 0.00 0.00 43.42 42.57 1aof n LEU 550 CO 0.30 0.22 0.00 -0.69 -1.11 0.00 0.00 177.39 176.11 1aof s VAL 551 N 4.46 5.29 -0.90 1.96 1.01 -1.26 -4.59 120.40 126.37 1aof s VAL 551 Ca 0.53 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.91 1aof s VAL 551 Cb 0.06 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1aof s VAL 551 CO 0.05 0.40 0.54 0.35 0.00 0.00 0.00 175.10 176.45 1aof n THR 552 N 3.42 -2.37 -2.38 3.92 -2.24 -1.26 -3.87 114.28 109.49 1aof n THR 552 Ca -0.12 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1aof n THR 552 Cb 0.52 -2.05 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 1aof n THR 552 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1aof s PRO 553 N -6.15 4.41 0.00 -0.78 0.04 -1.26 -1.71 135.00 129.54 1aof s PRO 553 Ca 0.26 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1aof s PRO 553 Cb -0.15 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1aof s PRO 553 CO 0.80 -0.30 0.00 0.25 0.04 0.00 0.00 177.00 177.78 1aof n THR 554 N 4.00 0.00 -2.04 1.26 -2.24 -0.75 -4.25 114.28 110.26 1aof n THR 554 Ca 0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1aof n THR 554 Cb 0.46 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1aof n THR 554 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1aof s GLY 555 N -0.29 2.73 -0.03 3.38 0.00 -1.26 -4.70 107.32 107.14 1aof s GLY 555 Ca 0.00 1.32 0.03 0.00 0.00 0.00 0.00 44.72 46.07 1aof s GLY 555 CO 0.00 2.10 -0.12 0.54 0.00 0.00 0.00 173.10 175.62 1aof s LYS 556 N -1.26 1.25 -0.11 2.90 1.02 -1.26 -0.71 119.74 121.57 1aof s LYS 556 Ca 0.53 -0.40 -0.03 0.00 0.02 0.00 0.00 55.97 56.10 1aof s LYS 556 Cb -0.41 -1.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.82 1aof s LYS 556 CO 0.50 0.14 0.05 -0.06 -0.92 0.00 0.00 175.35 175.06 1aof s PHE 557 N 0.19 0.46 0.07 3.18 0.08 -0.41 -4.88 117.98 116.67 1aof s PHE 557 Ca -0.04 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 1aof s PHE 557 Cb -0.10 -0.73 -0.06 0.00 -0.57 0.00 0.00 43.02 41.56 1aof s PHE 557 CO 0.01 -0.39 1.16 1.21 -0.10 0.00 0.00 175.22 177.11 1aof s ASN 558 N 2.04 7.14 0.12 1.36 3.84 -1.26 -0.83 114.94 127.35 1aof s ASN 558 Ca 0.03 1.99 -0.28 0.00 0.21 0.00 0.00 52.86 54.82 1aof s ASN 558 Cb -0.14 -2.58 -0.06 0.00 -0.55 0.00 0.00 41.25 37.92 1aof s ASN 558 CO -0.06 -0.41 1.61 0.58 -2.79 0.00 0.00 177.10 176.03 1aof h VAL 559 N 4.41 0.26 -0.18 -5.21 2.07 -1.30 -1.45 116.25 114.84 1aof h VAL 559 Ca -0.42 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1aof h VAL 559 Cb 1.21 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1aof h VAL 559 CO 0.79 0.00 0.10 0.22 0.02 0.00 0.00 177.57 178.70 1aof h TYR 560 N -0.50 0.19 0.00 1.57 3.20 -1.66 -1.07 116.97 118.70 1aof h TYR 560 Ca 0.06 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1aof h TYR 560 Cb 0.59 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1aof h TYR 560 CO -0.37 0.11 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.15 1aof h ASN 561 N 0.21 0.00 0.12 -2.11 2.35 -1.81 -2.21 115.58 112.14 1aof h ASN 561 Ca 0.07 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.62 1aof h ASN 561 Cb -0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1aof h ASN 561 CO -0.03 0.21 -0.96 0.74 -1.65 0.00 0.00 177.43 175.73 1aof h THR 562 N 0.00 1.36 0.00 2.81 2.02 -1.05 -0.88 112.91 117.18 1aof h THR 562 Ca -0.00 -2.47 -0.05 0.00 0.77 0.00 0.00 66.41 64.66 1aof h THR 562 Cb 0.53 3.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 1aof h THR 562 CO 0.03 0.69 -0.25 0.00 0.37 0.00 0.00 175.52 176.36 1aof h MET 563 N -0.42 0.00 -0.01 6.66 -0.00 -1.09 -2.92 114.93 117.14 1aof h MET 563 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.51 1aof h MET 563 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.22 1aof h MET 563 CO 0.10 0.25 -0.57 0.25 -0.00 0.00 0.00 176.91 176.93 1aof n THR 564 N -3.69 0.00 -3.38 -0.10 -2.24 -0.84 -4.77 114.28 99.26 1aof n THR 564 Ca -0.01 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 1aof n THR 564 Cb 0.36 1.21 0.08 0.00 -2.10 0.00 0.00 70.33 69.89 1aof n THR 564 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1aof n ASP 565 N -0.30 -2.48 -4.41 3.42 8.00 -0.93 -4.96 116.55 114.89 1aof n ASP 565 Ca 0.08 -0.58 -0.44 0.00 0.71 0.00 0.00 54.79 54.56 1aof n ASP 565 Cb 0.44 -4.89 -0.06 0.00 -0.02 0.00 0.00 41.12 36.58 1aof n ASP 565 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1aof s THR 566 N -3.34 5.01 0.00 -3.53 2.01 -0.38 -5.02 115.64 110.39 1aof s THR 566 Ca 0.06 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1aof s THR 566 Cb -0.03 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1aof s THR 566 CO 0.69 -0.76 0.00 0.00 -0.69 0.00 0.00 174.62 173.86