#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it6 s ASN 8 N 0.00 7.01 0.26 1.96 2.47 -1.26 -4.88 114.94 120.50 1it6 s ASN 8 Ca 0.00 -2.86 -0.02 0.00 0.42 0.00 0.00 52.86 50.40 1it6 s ASN 8 Cb 0.00 -2.40 0.51 0.00 -1.45 0.00 0.00 41.25 37.91 1it6 s ASN 8 CO 0.00 -0.80 1.74 0.40 -3.72 0.00 0.00 177.10 174.73 1it6 h ILE 9 N 4.83 0.67 -0.34 -5.21 1.08 -1.99 -1.99 117.51 114.56 1it6 h ILE 9 Ca 0.30 -0.18 -0.05 0.00 -0.39 0.00 0.00 64.86 64.54 1it6 h ILE 9 Cb 0.89 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1it6 h ILE 9 CO 1.23 0.09 0.01 0.44 -0.69 0.00 0.00 178.15 179.23 1it6 h ASP 10 N 0.51 0.49 -0.26 1.72 3.45 -1.98 -0.51 116.42 119.85 1it6 h ASP 10 Ca 0.44 -0.09 -0.16 0.00 0.43 0.00 0.00 57.03 57.65 1it6 h ASP 10 Cb 0.67 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 1it6 h ASP 10 CO -0.40 0.56 -0.44 -1.28 -1.57 0.00 0.00 179.24 176.11 1it6 h SER 11 N 0.51 0.89 -0.01 6.45 0.87 -1.79 -1.48 113.55 118.98 1it6 h SER 11 Ca 0.11 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1it6 h SER 11 Cb 0.32 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1it6 h SER 11 CO 0.01 1.20 0.00 0.40 -0.53 0.00 0.00 176.83 177.91 1it6 h ILE 12 N 0.66 1.19 -0.53 2.23 2.04 -0.99 -1.10 117.51 121.02 1it6 h ILE 12 Ca 0.04 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1it6 h ILE 12 Cb 1.02 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 1it6 h ILE 12 CO 0.10 0.15 0.31 0.40 0.00 0.00 0.00 178.15 179.11 1it6 h ILE 13 N -0.22 1.16 -0.79 -0.67 2.04 -1.09 -0.90 117.51 117.05 1it6 h ILE 13 Ca 0.00 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1it6 h ILE 13 Cb 0.24 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1it6 h ILE 13 CO 0.00 0.17 0.38 1.56 0.00 0.00 0.00 178.15 180.26 1it6 h GLN 14 N 0.71 1.14 -0.62 2.37 4.20 -1.21 -0.44 115.11 121.25 1it6 h GLN 14 Ca 0.19 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1it6 h GLN 14 Cb -0.00 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1it6 h GLN 14 CO -0.03 0.88 0.09 0.00 -0.67 0.00 0.00 178.83 179.09 1it6 h ARG 15 N 1.11 1.04 -0.26 1.46 3.08 -0.75 -1.70 114.38 118.36 1it6 h ARG 15 Ca 0.27 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1it6 h ARG 15 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1it6 h ARG 15 CO -0.03 0.97 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.56 1it6 h LEU 16 N 0.94 0.47 0.00 3.04 3.38 -0.79 -2.93 115.31 119.42 1it6 h LEU 16 Ca 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1it6 h LEU 16 Cb 0.45 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1it6 h LEU 16 CO 0.01 0.69 -0.24 0.18 0.09 0.00 0.00 178.44 179.17 1it6 n LEU 17 N -4.15 0.62 0.17 1.67 4.77 -0.21 -3.80 117.00 116.07 1it6 n LEU 17 Ca -0.00 0.40 0.07 0.00 -0.03 0.00 0.00 56.01 56.45 1it6 n LEU 17 Cb 0.37 -0.30 0.57 0.00 -2.33 0.00 0.00 43.42 41.73 1it6 n LEU 17 CO 0.41 -0.08 1.10 -0.08 -1.33 0.00 0.00 177.39 177.41 1it6 h GLU 18 N 0.00 0.18 0.00 3.23 4.57 -1.12 -0.77 114.58 120.68 1it6 h GLU 18 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1it6 h GLU 18 Cb 0.68 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1it6 h GLU 18 CO 0.00 0.12 0.00 1.33 -1.18 0.00 0.00 179.01 179.28 1it6 n VAL 19 N -4.52 0.56 -1.20 0.32 0.24 -1.25 -4.79 118.33 107.69 1it6 n VAL 19 Ca -0.01 0.14 -0.34 0.00 -2.04 0.00 0.00 64.34 62.09 1it6 n VAL 19 Cb 0.08 -0.99 0.11 0.00 -1.47 0.00 0.00 33.84 31.57 1it6 n VAL 19 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1it6 n ARG 20 N -1.20 0.31 -1.76 7.34 1.74 -0.30 -2.35 116.66 120.45 1it6 n ARG 20 Ca 0.05 0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 57.11 1it6 n ARG 20 Cb 0.06 -2.32 -0.07 0.00 -1.02 0.00 0.00 32.46 29.11 1it6 n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1it6 n GLY 21 N 0.84 1.31 3.83 -0.13 0.00 -1.26 -4.96 105.19 104.81 1it6 n GLY 21 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1it6 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1it6 s SER 22 N -2.51 4.33 -0.11 1.61 0.15 -0.99 -5.11 113.70 111.07 1it6 s SER 22 Ca 0.00 -1.54 -0.24 0.00 0.70 0.00 0.00 55.95 54.87 1it6 s SER 22 Cb 0.00 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1it6 s SER 22 CO 0.00 -1.00 0.74 -1.59 1.20 0.00 0.00 173.24 172.59 1it6 s LYS 23 N -4.05 4.37 0.15 5.44 0.00 -1.26 -5.00 119.74 119.38 1it6 s LYS 23 Ca 0.13 0.91 -0.34 0.00 0.00 0.00 0.00 55.97 56.68 1it6 s LYS 23 Cb -0.01 -3.51 -0.16 0.00 0.00 0.00 0.00 37.83 34.15 1it6 s LYS 23 CO 0.08 -0.11 1.14 -2.30 0.00 0.00 0.00 175.35 174.16 1it6 n PRO 24 N 4.43 0.99 0.00 1.78 -0.02 -1.26 -2.76 135.00 138.16 1it6 n PRO 24 Ca 0.01 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1it6 n PRO 24 Cb 0.50 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1it6 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1it6 n GLY 25 N 2.02 0.56 3.68 -1.23 0.00 -1.26 -5.07 105.19 103.89 1it6 n GLY 25 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1it6 n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1it6 n LYS 26 N -0.00 2.83 -2.36 1.61 4.81 -1.11 -4.97 118.16 118.97 1it6 n LYS 26 Ca 0.00 1.03 -0.26 0.00 -0.87 0.00 0.00 58.31 58.22 1it6 n LYS 26 Cb 0.00 -2.95 0.05 0.00 0.02 0.00 0.00 35.03 32.14 1it6 n LYS 26 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1it6 s ASN 27 N 3.33 5.27 -0.16 3.14 0.01 -1.26 -5.05 114.94 120.23 1it6 s ASN 27 Ca 0.84 0.53 -0.01 0.00 -0.71 0.00 0.00 52.86 53.52 1it6 s ASN 27 Cb -0.46 -1.39 0.04 0.00 0.41 0.00 0.00 41.25 39.84 1it6 s ASN 27 CO 0.39 -1.26 -0.04 -0.69 -1.51 0.00 0.00 177.10 173.99 1it6 s VAL 28 N -3.05 0.99 -0.61 1.60 1.01 -1.26 -5.04 120.40 114.04 1it6 s VAL 28 Ca 0.56 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1it6 s VAL 28 Cb -0.11 -1.19 0.16 0.00 0.00 0.00 0.00 36.38 35.24 1it6 s VAL 28 CO 0.44 0.12 0.52 -1.58 0.00 0.00 0.00 175.10 174.60 1it6 s GLN 29 N 1.68 2.97 0.62 2.72 2.00 -1.26 -4.90 119.66 123.49 1it6 s GLN 29 Ca 0.01 -2.03 -0.12 0.00 -2.00 0.00 0.00 55.36 51.22 1it6 s GLN 29 Cb -0.15 -4.16 -0.03 0.00 0.80 0.00 0.00 33.01 29.46 1it6 s GLN 29 CO -0.08 -1.26 1.03 -0.51 -0.50 0.00 0.00 175.29 173.98 1it6 s LEU 30 N 0.94 3.29 0.45 3.68 1.43 -1.26 -5.03 118.68 122.18 1it6 s LEU 30 Ca 0.10 1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 54.50 1it6 s LEU 30 Cb -0.22 -4.49 -0.08 0.00 0.03 0.00 0.00 46.19 41.43 1it6 s LEU 30 CO -0.02 -1.02 1.09 -1.10 0.23 0.00 0.00 176.35 175.53 1it6 s GLN 31 N -4.87 3.90 0.23 1.70 -0.21 -1.26 -4.92 119.66 114.22 1it6 s GLN 31 Ca 0.57 1.57 -0.07 0.00 0.02 0.00 0.00 55.36 57.45 1it6 s GLN 31 Cb -0.12 -2.36 0.32 0.00 1.00 0.00 0.00 33.01 31.85 1it6 s GLN 31 CO 0.49 -0.39 1.79 1.49 -2.12 0.00 0.00 175.29 176.56 1it6 h GLU 32 N 2.06 0.65 -0.15 2.91 4.81 -2.00 -1.60 114.58 121.26 1it6 h GLU 32 Ca -0.49 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1it6 h GLU 32 Cb 1.23 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1it6 h GLU 32 CO 0.60 0.43 -0.03 -2.95 -0.73 0.00 0.00 179.01 176.34 1it6 h ASN 33 N 0.67 0.20 -0.08 1.04 -1.07 -1.99 -1.21 115.58 113.14 1it6 h ASN 33 Ca 0.35 -0.02 -0.02 0.00 0.07 0.00 0.00 56.30 56.68 1it6 h ASN 33 Cb 0.31 -0.05 -0.00 0.00 -2.07 0.00 0.00 38.32 36.51 1it6 h ASN 33 CO -0.24 0.26 -0.01 -0.33 0.07 0.00 0.00 177.43 177.19 1it6 h GLU 34 N 0.21 0.15 -0.41 4.14 5.08 -1.67 0.67 114.58 122.75 1it6 h GLU 34 Ca 0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1it6 h GLU 34 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1it6 h GLU 34 CO 0.01 0.44 0.25 0.82 -1.00 0.00 0.00 179.01 179.52 1it6 h ILE 35 N -0.15 1.13 -0.85 3.13 2.04 -1.17 0.11 117.51 121.76 1it6 h ILE 35 Ca 0.02 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1it6 h ILE 35 Cb 0.37 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1it6 h ILE 35 CO 0.01 0.13 0.53 -0.09 0.00 0.00 0.00 178.15 178.72 1it6 h ARG 36 N 0.54 0.94 -0.43 2.37 2.43 -1.15 -1.81 114.38 117.25 1it6 h ARG 36 Ca 0.15 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1it6 h ARG 36 Cb -0.00 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1it6 h ARG 36 CO -0.03 0.62 0.28 0.78 -1.51 0.00 0.00 179.97 180.12 1it6 h GLY 37 N 0.96 0.61 0.88 2.80 0.00 0.55 -1.60 103.07 107.28 1it6 h GLY 37 Ca 0.37 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.50 1it6 h GLY 37 CO -0.17 0.23 0.58 1.41 0.00 0.00 0.00 176.54 178.59 1it6 h LEU 38 N 0.59 0.96 -0.34 3.11 3.38 -0.26 -0.11 115.31 122.63 1it6 h LEU 38 Ca 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1it6 h LEU 38 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1it6 h LEU 38 CO -0.03 0.66 0.08 0.00 0.09 0.00 0.00 178.44 179.23 1it6 h LEU 40 N 0.40 0.87 -0.21 0.00 3.38 -1.04 -2.08 115.31 116.63 1it6 h LEU 40 Ca 0.11 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1it6 h LEU 40 Cb 0.31 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1it6 h LEU 40 CO 0.00 1.22 -0.20 0.50 0.09 0.00 0.00 178.44 180.05 1it6 h LYS 41 N 0.62 0.51 -0.63 1.13 3.11 -0.99 -2.69 116.57 117.63 1it6 h LYS 41 Ca 0.03 -0.27 -0.09 0.00 -2.81 0.00 0.00 60.65 57.51 1it6 h LYS 41 Cb 1.08 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 1it6 h LYS 41 CO 0.11 0.84 0.05 0.66 -2.81 0.00 0.00 179.45 178.31 1it6 h SER 42 N 0.19 1.03 -0.65 4.20 4.64 -1.24 -2.68 113.55 119.04 1it6 h SER 42 Ca 0.03 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 1it6 h SER 42 Cb 0.75 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 1it6 h SER 42 CO 0.05 1.05 0.36 -0.09 -0.87 0.00 0.00 176.83 177.33 1it6 h ARG 43 N 0.99 0.64 -0.65 4.77 2.43 -1.35 0.11 114.38 121.32 1it6 h ARG 43 Ca 0.19 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1it6 h ARG 43 Cb 0.49 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1it6 h ARG 43 CO 0.02 0.43 0.35 1.49 -1.51 0.00 0.00 179.97 180.74 1it6 h GLU 44 N 0.66 0.62 -0.37 0.20 4.81 -1.16 -1.83 114.58 117.50 1it6 h GLU 44 Ca 0.29 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1it6 h GLU 44 Cb 0.18 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1it6 h GLU 44 CO -0.18 0.41 -0.18 0.82 -0.73 0.00 0.00 179.01 179.15 1it6 h ILE 45 N 0.63 1.28 -0.62 2.32 2.04 -0.89 -2.87 117.51 119.40 1it6 h ILE 45 Ca 0.30 -1.31 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1it6 h ILE 45 Cb 0.22 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 1it6 h ILE 45 CO -0.20 0.43 0.32 -0.26 0.00 0.00 0.00 178.15 178.45 1it6 h PHE 46 N 0.58 0.59 0.00 1.37 0.04 -0.37 -1.51 116.94 117.64 1it6 h PHE 46 Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1it6 h PHE 46 Cb 0.73 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 1it6 h PHE 46 CO 0.06 0.26 -0.10 -0.07 -0.60 0.00 0.00 178.31 177.86 1it6 h LEU 47 N 0.60 0.00 0.00 1.54 3.38 -1.26 -2.75 115.31 116.81 1it6 h LEU 47 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1it6 h LEU 47 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1it6 h LEU 47 CO -0.20 0.10 -0.42 -1.54 0.09 0.00 0.00 178.44 176.47 1it6 n SER 48 N -3.36 0.69 -4.77 -0.43 3.41 -0.59 -4.84 113.62 103.72 1it6 n SER 48 Ca -0.01 0.24 -0.28 0.00 -0.26 0.00 0.00 58.87 58.56 1it6 n SER 48 Cb 0.28 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.04 1it6 n SER 48 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1it6 s GLN 49 N -3.13 2.84 0.82 4.33 -0.21 -1.04 -5.10 119.66 118.18 1it6 s GLN 49 Ca 0.08 -0.81 -0.14 0.00 0.02 0.00 0.00 55.36 54.51 1it6 s GLN 49 Cb 0.14 -2.66 0.01 0.00 1.00 0.00 0.00 33.01 31.50 1it6 s GLN 49 CO 0.68 0.52 0.60 -2.30 -2.12 0.00 0.00 175.29 172.67 1it6 n PRO 50 N 0.05 0.07 0.20 2.91 -0.02 -1.26 -4.92 135.00 132.03 1it6 n PRO 50 Ca -0.09 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.58 1it6 n PRO 50 Cb 0.53 -1.95 0.13 0.00 -0.02 0.00 0.00 33.50 32.20 1it6 n PRO 50 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1it6 h ILE 51 N -0.89 0.08 -3.56 4.25 2.10 -1.90 -3.38 117.51 114.20 1it6 h ILE 51 Ca -0.45 -1.11 -0.65 0.00 1.08 0.00 0.00 64.86 63.73 1it6 h ILE 51 Cb 1.32 1.98 -0.40 0.00 -1.09 0.00 0.00 36.82 38.62 1it6 h ILE 51 CO 0.40 0.04 -0.70 -0.22 -1.08 0.00 0.00 178.15 176.60 1it6 s LEU 52 N -6.12 4.46 0.45 2.19 2.96 -1.26 -1.20 118.68 120.15 1it6 s LEU 52 Ca 0.06 -2.37 -0.24 0.00 -0.22 0.00 0.00 54.13 51.36 1it6 s LEU 52 Cb 0.06 -1.57 -0.08 0.00 0.50 0.00 0.00 46.19 45.10 1it6 s LEU 52 CO 0.69 -0.34 1.23 -0.76 -1.32 0.00 0.00 176.35 175.85 1it6 s LEU 53 N 0.61 4.08 -0.33 -0.68 1.43 -0.24 -4.91 118.68 118.64 1it6 s LEU 53 Ca 0.13 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.73 1it6 s LEU 53 Cb -0.21 -4.11 0.09 0.00 0.03 0.00 0.00 46.19 41.99 1it6 s LEU 53 CO -0.07 -0.95 0.03 -1.61 0.23 0.00 0.00 176.35 173.99 1it6 s GLU 54 N -2.53 1.60 0.38 1.70 2.02 -1.26 -0.71 118.70 119.90 1it6 s GLU 54 Ca 0.62 -1.80 0.08 0.00 0.02 0.00 0.00 54.97 53.88 1it6 s GLU 54 Cb -0.33 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1it6 s GLU 54 CO 0.41 -0.89 0.29 -0.51 0.02 0.00 0.00 175.26 174.58 1it6 s LEU 55 N 0.93 3.40 0.03 1.80 1.43 -0.49 -4.98 118.68 120.80 1it6 s LEU 55 Ca 0.08 -0.71 0.06 0.00 -1.03 0.00 0.00 54.13 52.53 1it6 s LEU 55 Cb -0.19 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1it6 s LEU 55 CO -0.07 -0.48 -0.18 -1.61 0.23 0.00 0.00 176.35 174.24 1it6 s GLU 56 N -4.01 1.22 0.66 1.70 2.02 -1.26 -0.70 118.70 118.33 1it6 s GLU 56 Ca 0.43 -0.80 -0.11 0.00 0.02 0.00 0.00 54.97 54.52 1it6 s GLU 56 Cb -0.03 -1.27 -0.01 0.00 0.10 0.00 0.00 34.13 32.93 1it6 s GLU 56 CO 0.26 0.33 1.05 0.00 0.02 0.00 0.00 175.26 176.92 1it6 s ALA 57 N -0.72 3.00 0.42 5.21 0.00 -1.26 -4.58 121.76 123.83 1it6 s ALA 57 Ca 0.05 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1it6 s ALA 57 Cb -0.08 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1it6 s ALA 57 CO 0.01 -0.95 1.02 -1.25 0.00 0.00 0.00 175.76 174.59 1it6 s PRO 58 N -5.26 4.13 0.08 0.00 0.04 -1.26 -4.76 135.00 127.97 1it6 s PRO 58 Ca 0.57 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1it6 s PRO 58 Cb -0.11 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 32.10 1it6 s PRO 58 CO 0.52 -0.15 0.65 -0.48 0.04 0.00 0.00 177.00 177.58 1it6 s LEU 59 N -2.86 -0.58 -0.11 -3.56 2.34 -0.86 -4.49 118.68 108.56 1it6 s LEU 59 Ca 0.60 0.23 -0.03 0.00 0.06 0.00 0.00 54.13 54.98 1it6 s LEU 59 Cb -0.18 2.53 -0.03 0.00 -0.56 0.00 0.00 46.19 47.95 1it6 s LEU 59 CO 0.23 -0.83 0.01 -0.54 -1.06 0.00 0.00 176.35 174.16 1it6 s LYS 60 N -2.89 3.24 -0.09 1.48 1.02 -0.06 -1.79 119.74 120.64 1it6 s LYS 60 Ca -0.02 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.60 1it6 s LYS 60 Cb -0.01 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1it6 s LYS 60 CO -0.06 0.58 -0.20 0.42 -0.92 0.00 0.00 175.35 175.18 1it6 s ILE 61 N -0.55 2.43 0.04 2.17 1.01 0.12 -0.96 121.20 125.46 1it6 s ILE 61 Ca 0.09 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.91 1it6 s ILE 61 Cb -0.12 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1it6 s ILE 61 CO 0.02 0.56 -0.22 0.00 0.00 0.00 0.00 174.94 175.30 1it6 n GLY 63 N 1.93 1.09 3.65 0.00 0.00 -1.26 -0.77 105.19 109.83 1it6 n GLY 63 Ca -0.17 -1.77 -0.45 0.00 0.00 0.00 0.00 46.02 43.64 1it6 n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1it6 n ASP 64 N 0.00 2.23 -0.06 1.61 10.43 -1.25 -4.24 116.55 125.27 1it6 n ASP 64 Ca 0.00 1.16 -0.10 0.00 2.57 0.00 0.00 54.79 58.43 1it6 n ASP 64 Cb 0.00 -1.38 -0.05 0.00 1.84 0.00 0.00 41.12 41.53 1it6 n ASP 64 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1it6 n ILE 65 N 1.17 0.68 -3.87 0.53 2.08 -0.32 -1.88 119.36 117.76 1it6 n ILE 65 Ca 0.10 -0.24 -0.32 0.00 0.56 0.00 0.00 62.75 62.85 1it6 n ILE 65 Cb 0.31 -1.11 0.01 0.00 -0.75 0.00 0.00 39.64 38.11 1it6 n ILE 65 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1it6 n HIS 66 N -3.03 -1.70 -1.14 1.39 8.25 -0.48 -2.33 115.22 116.19 1it6 n HIS 66 Ca -0.22 0.49 -0.05 0.00 -0.26 0.00 0.00 57.72 57.68 1it6 n HIS 66 Cb 0.71 -3.40 -0.02 0.00 1.12 0.00 0.00 29.99 28.40 1it6 n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1it6 n GLY 67 N -1.90 0.49 2.79 -1.41 0.00 0.36 -0.85 105.19 104.67 1it6 n GLY 67 Ca -0.18 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1it6 n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1it6 n GLN 68 N 0.02 3.67 -0.28 1.61 6.02 -0.98 -1.66 117.38 125.78 1it6 n GLN 68 Ca -0.05 -3.41 0.08 0.00 -0.01 0.00 0.00 57.00 53.62 1it6 n GLN 68 Cb 0.52 -2.92 0.21 0.00 1.02 0.00 0.00 30.24 29.07 1it6 n GLN 68 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1it6 h TYR 69 N 5.61 0.06 0.00 1.08 3.20 -1.88 0.30 116.97 125.35 1it6 h TYR 69 Ca 0.46 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.37 1it6 h TYR 69 Cb 0.58 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 1it6 h TYR 69 CO 1.33 -0.25 -0.08 1.88 -1.64 0.00 0.00 178.16 179.40 1it6 h TYR 70 N 0.13 0.00 0.07 -3.82 -1.99 -1.95 -1.69 116.97 107.71 1it6 h TYR 70 Ca 0.47 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.94 1it6 h TYR 70 Cb 0.88 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.59 1it6 h TYR 70 CO -0.39 0.08 -1.26 -0.44 -0.00 0.00 0.00 178.16 176.15 1it6 h ASP 71 N 0.00 0.22 -0.81 3.88 3.32 -1.36 -2.75 116.42 118.92 1it6 h ASP 71 Ca -0.00 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 1it6 h ASP 71 Cb 0.36 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1it6 h ASP 71 CO 0.01 1.21 0.34 0.25 -1.72 0.00 0.00 179.24 179.33 1it6 h LEU 72 N 0.04 1.11 -0.78 1.55 5.85 -0.86 0.15 115.31 122.37 1it6 h LEU 72 Ca -0.13 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1it6 h LEU 72 Cb 1.91 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 1it6 h LEU 72 CO 0.16 0.97 0.33 -0.07 -0.34 0.00 0.00 178.44 179.48 1it6 h LEU 73 N 1.18 1.07 -1.03 2.25 3.38 -1.34 -1.73 115.31 119.08 1it6 h LEU 73 Ca 0.27 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1it6 h LEU 73 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1it6 h LEU 73 CO -0.02 0.94 0.08 0.03 0.09 0.00 0.00 178.44 179.56 1it6 h ARG 74 N 1.13 0.78 -0.00 1.13 3.08 -0.96 -0.74 114.38 118.78 1it6 h ARG 74 Ca 0.26 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1it6 h ARG 74 Cb 0.19 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1it6 h ARG 74 CO -0.02 0.73 0.00 -0.07 -1.07 0.00 0.00 179.97 179.54 1it6 h LEU 75 N 0.74 0.01 -1.58 3.04 3.38 -0.28 -1.43 115.31 119.19 1it6 h LEU 75 Ca 0.16 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1it6 h LEU 75 Cb 0.33 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1it6 h LEU 75 CO 0.00 0.08 0.00 -0.26 0.09 0.00 0.00 178.44 178.36 1it6 h PHE 76 N -0.07 0.27 -0.28 1.13 0.04 -1.09 0.12 116.94 117.07 1it6 h PHE 76 Ca 0.00 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1it6 h PHE 76 Cb 0.08 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1it6 h PHE 76 CO -0.05 0.28 0.06 1.49 -0.60 0.00 0.00 178.31 179.48 1it6 h GLU 77 N 0.27 0.46 0.05 1.51 4.81 -0.56 0.59 114.58 121.70 1it6 h GLU 77 Ca 0.06 -0.12 -0.24 0.00 -0.13 0.00 0.00 59.36 58.94 1it6 h GLU 77 Cb 0.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1it6 h GLU 77 CO 0.00 0.56 -1.04 1.88 -0.73 0.00 0.00 179.01 179.68 1it6 h TYR 78 N 0.29 0.54 0.00 0.92 -1.99 -0.92 -3.32 116.97 112.49 1it6 h TYR 78 Ca 0.09 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1it6 h TYR 78 Cb 0.32 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.00 1it6 h TYR 78 CO 0.02 1.18 -0.74 0.41 -0.00 0.00 0.00 178.16 179.03 1it6 n GLY 79 N 1.14 -1.32 0.00 3.88 0.00 0.40 -5.06 105.19 104.23 1it6 n GLY 79 Ca -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1it6 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1it6 n GLY 80 N 1.37 1.12 3.78 -0.02 0.00 0.21 -4.70 105.19 106.95 1it6 n GLY 80 Ca 0.03 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 1it6 n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1it6 s PHE 81 N -0.32 3.02 0.62 1.61 0.40 -1.11 -4.48 117.98 117.73 1it6 s PHE 81 Ca 0.00 1.58 -0.19 0.00 -0.60 0.00 0.00 56.93 57.72 1it6 s PHE 81 Cb 0.00 -3.23 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 1it6 s PHE 81 CO 0.00 -1.08 1.30 -2.14 0.70 0.00 0.00 175.22 174.00 1it6 s PRO 82 N -2.75 2.70 -0.18 0.24 0.02 -1.26 -1.16 135.00 132.60 1it6 s PRO 82 Ca 0.63 2.08 0.08 0.00 0.02 0.00 0.00 61.00 63.81 1it6 s PRO 82 Cb -0.24 -1.93 0.53 0.00 0.02 0.00 0.00 34.50 32.88 1it6 s PRO 82 CO 0.29 -1.49 1.37 -0.35 -0.33 0.00 0.00 177.00 176.48 1it6 n PRO 83 N -1.71 3.32 0.28 5.54 -0.04 -1.26 -4.95 135.00 136.18 1it6 n PRO 83 Ca 0.15 -2.06 0.14 0.00 -0.04 0.00 0.00 63.50 61.68 1it6 n PRO 83 Cb 0.48 -1.97 0.81 0.00 -0.04 0.00 0.00 33.50 32.77 1it6 n PRO 83 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1it6 h GLU 84 N 2.34 0.00 -3.63 0.54 5.08 -1.44 -3.42 114.58 114.05 1it6 h GLU 84 Ca 0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1it6 h GLU 84 Cb 1.59 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.61 1it6 h GLU 84 CO 0.39 0.07 -0.58 -1.12 -1.00 0.00 0.00 179.01 176.76 1it6 s SER 85 N -6.13 0.04 0.18 1.42 0.01 -1.26 -5.02 113.70 102.94 1it6 s SER 85 Ca -0.04 -0.15 -0.21 0.00 1.31 0.00 0.00 55.95 56.86 1it6 s SER 85 Cb 0.14 0.18 -0.08 0.00 0.21 0.00 0.00 66.02 66.47 1it6 s SER 85 CO 0.57 -0.25 0.70 0.20 0.41 0.00 0.00 173.24 174.87 1it6 s ASN 86 N -0.95 7.13 0.09 2.44 0.02 -1.26 -4.56 114.94 117.85 1it6 s ASN 86 Ca -0.10 1.43 0.08 0.00 -1.02 0.00 0.00 52.86 53.24 1it6 s ASN 86 Cb -0.06 -2.42 -0.03 0.00 0.02 0.00 0.00 41.25 38.76 1it6 s ASN 86 CO 0.00 0.12 -0.20 -0.31 0.02 0.00 0.00 177.10 176.74 1it6 s TYR 87 N -1.35 1.75 -0.13 2.20 2.02 -0.92 -0.89 117.35 120.03 1it6 s TYR 87 Ca 0.38 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.64 1it6 s TYR 87 Cb -0.19 -0.98 0.05 0.00 -0.40 0.00 0.00 41.96 40.44 1it6 s TYR 87 CO 0.22 0.17 0.06 -1.17 -1.57 0.00 0.00 175.55 173.27 1it6 s LEU 88 N -1.75 0.47 -0.13 -1.29 2.96 -0.13 -0.62 118.68 118.19 1it6 s LEU 88 Ca 0.06 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 1it6 s LEU 88 Cb -0.10 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 1it6 s LEU 88 CO 0.04 -0.30 0.17 -0.36 -1.32 0.00 0.00 176.35 174.57 1it6 s PHE 89 N 2.08 3.57 -2.07 5.38 0.40 -0.41 -1.24 117.98 125.69 1it6 s PHE 89 Ca 0.03 0.53 0.13 0.00 -0.60 0.00 0.00 56.93 57.01 1it6 s PHE 89 Cb -0.15 -2.03 0.43 0.00 0.51 0.00 0.00 43.02 41.78 1it6 s PHE 89 CO -0.07 0.62 1.33 1.28 0.70 0.00 0.00 175.22 179.08 1it6 n LEU 90 N 2.35 1.59 0.00 -0.37 4.77 0.05 -1.44 117.00 123.96 1it6 n LEU 90 Ca -0.18 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1it6 n LEU 90 Cb 0.54 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1it6 n LEU 90 CO 0.33 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1it6 n GLY 91 N 1.02 0.76 3.18 -0.72 0.00 -1.24 -4.19 105.19 104.00 1it6 n GLY 91 Ca 0.12 -2.24 -0.07 0.00 0.00 0.00 0.00 46.02 43.83 1it6 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1it6 n ASP 92 N 0.00 -7.22 -0.03 1.61 9.92 -1.26 -4.12 116.55 115.45 1it6 n ASP 92 Ca 0.00 -0.14 -0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1it6 n ASP 92 Cb 0.00 -4.55 -0.14 0.00 -0.64 0.00 0.00 41.12 35.80 1it6 n ASP 92 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1it6 n TYR 93 N -1.64 0.32 -4.00 1.24 4.01 -1.26 -1.17 117.16 114.67 1it6 n TYR 93 Ca -0.04 0.11 -0.24 0.00 -0.16 0.00 0.00 57.90 57.57 1it6 n TYR 93 Cb 0.54 -0.88 -0.06 0.00 -0.31 0.00 0.00 39.34 38.63 1it6 n TYR 93 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1it6 s VAL 94 N -2.95 2.36 0.03 -0.72 -7.23 -1.26 -0.49 120.40 110.14 1it6 s VAL 94 Ca -0.07 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1it6 s VAL 94 Cb 0.09 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1it6 s VAL 94 CO 0.85 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 176.11 1it6 n ASP 95 N -1.32 -0.35 0.00 4.85 8.00 -1.26 -4.57 116.55 121.89 1it6 n ASP 95 Ca -0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1it6 n ASP 95 Cb 0.64 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 1it6 n ASP 95 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1it6 n ARG 96 N -1.95 0.00 -1.55 -1.24 5.12 -0.45 -4.00 116.66 112.59 1it6 n ARG 96 Ca -0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1it6 n ARG 96 Cb 0.03 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.42 1it6 n ARG 96 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1it6 s GLY 97 N 0.00 1.62 0.00 -0.13 0.00 -0.03 -4.88 107.32 103.90 1it6 s GLY 97 Ca 0.00 -0.23 0.26 0.00 0.00 0.00 0.00 44.72 44.75 1it6 s GLY 97 CO 0.00 0.21 1.55 0.28 0.00 0.00 0.00 173.10 175.13 1it6 n LYS 98 N -3.46 0.06 -3.07 2.90 5.02 -1.25 -4.40 118.16 113.96 1it6 n LYS 98 Ca 0.07 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 1it6 n LYS 98 Cb 0.56 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1it6 n LYS 98 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1it6 n GLN 99 N -1.45 2.10 0.05 1.97 6.02 -0.66 -4.89 117.38 120.51 1it6 n GLN 99 Ca 0.06 -4.12 -0.01 0.00 -0.01 0.00 0.00 57.00 52.93 1it6 n GLN 99 Cb 0.33 -1.97 0.28 0.00 1.02 0.00 0.00 30.24 29.90 1it6 n GLN 99 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1it6 h SER 100 N 2.99 0.39 0.41 1.08 0.02 -1.77 -2.79 113.55 113.88 1it6 h SER 100 Ca 0.11 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1it6 h SER 100 Cb 0.74 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1it6 h SER 100 CO 0.66 0.58 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.66 1it6 h LEU 101 N 0.37 -0.47 -0.87 5.07 3.38 -1.93 -0.35 115.31 120.51 1it6 h LEU 101 Ca 0.07 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1it6 h LEU 101 Cb 0.51 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1it6 h LEU 101 CO 0.03 -0.23 0.57 -0.33 0.09 0.00 0.00 178.44 178.57 1it6 h GLU 102 N -0.70 1.07 0.75 1.13 3.07 -1.90 0.10 114.58 118.10 1it6 h GLU 102 Ca -0.06 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 1it6 h GLU 102 Cb 0.50 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1it6 h GLU 102 CO 0.09 0.71 -0.43 1.15 -1.40 0.00 0.00 179.01 179.13 1it6 h THR 103 N 1.10 0.13 -0.36 1.13 2.02 -1.36 -1.00 112.91 114.57 1it6 h THR 103 Ca 0.35 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.45 1it6 h THR 103 Cb 0.00 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1it6 h THR 103 CO -0.12 0.00 -0.11 -0.29 0.37 0.00 0.00 175.52 175.37 1it6 h ILE 104 N -1.10 1.25 -0.23 3.11 6.09 -0.92 -2.38 117.51 123.32 1it6 h ILE 104 Ca -0.10 -1.10 -0.01 0.00 -1.37 0.00 0.00 64.86 62.28 1it6 h ILE 104 Cb 0.87 1.09 -0.01 0.00 0.47 0.00 0.00 36.82 39.25 1it6 h ILE 104 CO 0.12 0.37 0.10 0.00 -3.07 0.00 0.00 178.15 175.66 1it6 h LEU 106 N 0.23 0.66 -0.78 0.00 5.85 -1.00 0.44 115.31 120.71 1it6 h LEU 106 Ca 0.08 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1it6 h LEU 106 Cb 0.17 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1it6 h LEU 106 CO -0.01 0.48 0.17 -0.07 -0.34 0.00 0.00 178.44 178.68 1it6 h LEU 107 N 0.79 1.03 -0.63 2.25 3.38 -1.21 -1.52 115.31 119.40 1it6 h LEU 107 Ca 0.22 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1it6 h LEU 107 Cb -0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1it6 h LEU 107 CO -0.05 0.99 -0.44 -0.07 0.09 0.00 0.00 178.44 178.95 1it6 h LEU 108 N 1.04 0.61 -0.58 1.67 3.38 -0.36 -1.94 115.31 119.12 1it6 h LEU 108 Ca 0.22 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1it6 h LEU 108 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1it6 h LEU 108 CO 0.00 0.97 0.12 0.00 0.09 0.00 0.00 178.44 179.62 1it6 h ALA 109 N 1.06 0.77 -0.36 1.53 0.00 -0.64 -1.43 119.26 120.19 1it6 h ALA 109 Ca 0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1it6 h ALA 109 Cb 0.96 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1it6 h ALA 109 CO 0.09 0.49 -0.16 1.88 0.00 0.00 0.00 179.25 181.55 1it6 h TYR 110 N 0.85 0.72 -0.58 0.00 0.05 -1.15 -0.35 116.97 116.51 1it6 h TYR 110 Ca 0.18 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 1it6 h TYR 110 Cb 0.38 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 1it6 h TYR 110 CO 0.03 0.77 0.06 -0.22 -1.05 0.00 0.00 178.16 177.74 1it6 h LYS 111 N 0.59 0.96 -0.28 4.88 1.63 -1.01 0.37 116.57 123.71 1it6 h LYS 111 Ca 0.10 -0.26 -0.16 0.00 -0.85 0.00 0.00 60.65 59.48 1it6 h LYS 111 Cb 0.60 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1it6 h LYS 111 CO 0.04 0.91 -0.46 0.82 -3.45 0.00 0.00 179.45 177.32 1it6 h ILE 112 N 0.89 1.29 -0.02 2.00 2.04 -0.88 -2.19 117.51 120.65 1it6 h ILE 112 Ca 0.18 -1.65 -0.20 0.00 1.00 0.00 0.00 64.86 64.19 1it6 h ILE 112 Cb 0.45 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1it6 h ILE 112 CO 0.02 0.53 -0.84 0.50 0.00 0.00 0.00 178.15 178.36 1it6 h LYS 113 N 0.55 0.28 -2.11 2.37 3.64 -0.88 -3.37 116.57 117.06 1it6 h LYS 113 Ca 0.02 -0.28 -0.56 0.00 -1.27 0.00 0.00 60.65 58.55 1it6 h LYS 113 Cb 1.06 0.07 -0.41 0.00 -0.41 0.00 0.00 32.23 32.55 1it6 h LYS 113 CO 0.10 0.97 -0.88 0.66 -2.27 0.00 0.00 179.45 178.04 1it6 n TYR 114 N -3.73 1.75 0.22 1.91 4.01 0.10 -4.96 117.16 116.46 1it6 n TYR 114 Ca -0.04 -3.87 0.16 0.00 -0.16 0.00 0.00 57.90 53.99 1it6 n TYR 114 Cb 0.78 -0.45 0.84 0.00 -0.31 0.00 0.00 39.34 40.19 1it6 n TYR 114 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1it6 h PRO 115 N 3.73 0.00 -0.02 -0.72 0.13 -1.56 -1.64 132.00 131.91 1it6 h PRO 115 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1it6 h PRO 115 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1it6 h PRO 115 CO 0.65 0.00 -0.24 0.39 -0.23 0.00 0.00 178.00 178.57 1it6 n GLU 116 N -3.86 1.77 0.00 0.86 -0.58 -1.26 -4.39 120.64 113.18 1it6 n GLU 116 Ca 0.01 -1.46 0.00 0.00 -0.42 0.00 0.00 57.16 55.29 1it6 n GLU 116 Cb 0.27 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1it6 n GLU 116 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1it6 n ASN 117 N 0.66 1.01 -3.79 1.62 4.13 -0.69 -5.01 115.26 113.18 1it6 n ASN 117 Ca 0.12 -1.39 -0.17 0.00 1.68 0.00 0.00 54.58 54.82 1it6 n ASN 117 Cb 0.53 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.61 1it6 n ASN 117 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1it6 s PHE 118 N -0.39 0.21 0.02 3.10 5.36 -0.79 -2.16 117.98 123.33 1it6 s PHE 118 Ca 0.00 0.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 1it6 s PHE 118 Cb 0.00 -0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 42.30 1it6 s PHE 118 CO 0.00 -0.12 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.49 1it6 s PHE 119 N 1.12 0.78 -0.06 10.12 0.08 0.21 -4.75 117.98 125.48 1it6 s PHE 119 Ca -0.08 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.66 1it6 s PHE 119 Cb -0.13 -0.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.86 1it6 s PHE 119 CO -0.02 -0.02 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.49 1it6 s LEU 120 N -0.94 1.40 0.37 -0.37 1.43 -1.26 -1.29 118.68 118.02 1it6 s LEU 120 Ca -0.02 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1it6 s LEU 120 Cb -0.07 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 1it6 s LEU 120 CO 0.00 -0.03 0.43 -0.76 0.23 0.00 0.00 176.35 176.22 1it6 s LEU 121 N 0.95 3.68 0.02 1.79 1.43 -0.52 -4.26 118.68 121.77 1it6 s LEU 121 Ca -0.10 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.35 1it6 s LEU 121 Cb -0.15 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1it6 s LEU 121 CO 0.00 -0.54 0.60 -0.60 0.23 0.00 0.00 176.35 176.04 1it6 s ARG 122 N -4.17 4.31 0.41 1.70 3.52 -0.63 -3.68 118.95 120.41 1it6 s ARG 122 Ca 0.47 0.77 0.08 0.00 -0.13 0.00 0.00 55.73 56.92 1it6 s ARG 122 Cb -0.07 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1it6 s ARG 122 CO 0.30 0.44 0.26 0.20 -0.81 0.00 0.00 175.30 175.69 1it6 s GLY 123 N -0.44 2.21 0.27 8.12 0.00 -1.26 -4.50 107.32 111.73 1it6 s GLY 123 Ca 0.31 -1.99 0.22 0.00 0.00 0.00 0.00 44.72 43.27 1it6 s GLY 123 CO 0.18 -1.80 1.68 1.16 0.00 0.00 0.00 173.10 174.32 1it6 n ASN 124 N -1.37 0.61 -0.08 1.64 6.94 -1.26 -1.61 115.26 120.13 1it6 n ASN 124 Ca 0.01 0.69 0.13 0.00 -0.02 0.00 0.00 54.58 55.39 1it6 n ASN 124 Cb 0.63 -0.81 0.43 0.00 -2.36 0.00 0.00 39.78 37.68 1it6 n ASN 124 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1it6 n HIS 125 N -2.22 0.00 -1.86 -2.53 8.25 -1.26 -4.02 115.22 111.58 1it6 n HIS 125 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1it6 n HIS 125 Cb 0.16 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1it6 n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1it6 n GLU 126 N -1.17 3.77 -3.76 -0.41 4.71 -0.63 -4.16 120.64 119.00 1it6 n GLU 126 Ca 0.10 -3.16 -0.14 0.00 -0.01 0.00 0.00 57.16 53.95 1it6 n GLU 126 Cb 0.32 -2.42 -0.14 0.00 -1.01 0.00 0.00 31.44 28.19 1it6 n GLU 126 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1it6 h ALA 128 N 7.12 0.88 0.00 0.00 0.00 -1.93 -0.24 119.26 125.09 1it6 h ALA 128 Ca -0.41 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1it6 h ALA 128 Cb 1.14 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1it6 h ALA 128 CO 0.43 -0.16 -0.11 0.66 0.00 0.00 0.00 179.25 180.06 1it6 h SER 129 N 0.46 0.00 0.02 0.00 4.64 -1.97 -1.07 113.55 115.62 1it6 h SER 129 Ca 0.34 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.42 1it6 h SER 129 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1it6 h SER 129 CO -0.32 0.11 -1.30 0.40 -0.87 0.00 0.00 176.83 174.85 1it6 h ILE 130 N 0.00 0.91 0.00 0.95 1.08 -1.66 -3.35 117.51 115.44 1it6 h ILE 130 Ca -0.00 -2.21 0.00 0.00 -0.39 0.00 0.00 64.86 62.26 1it6 h ILE 130 Cb 0.43 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1it6 h ILE 130 CO 0.01 0.40 0.00 -0.46 -0.69 0.00 0.00 178.15 177.41 1it6 n ASN 131 N -4.32 0.00 0.05 1.72 0.23 -0.18 -1.84 115.26 110.92 1it6 n ASN 131 Ca -0.31 -0.15 -0.11 0.00 -0.53 0.00 0.00 54.58 53.48 1it6 n ASN 131 Cb 0.72 -0.22 0.01 0.00 -2.08 0.00 0.00 39.78 38.21 1it6 n ASN 131 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1it6 h ARG 132 N 0.00 0.42 0.05 -3.83 9.65 -1.33 -1.95 114.38 117.39 1it6 h ARG 132 Ca 0.00 -0.37 -0.25 0.00 -1.10 0.00 0.00 59.98 58.26 1it6 h ARG 132 Cb 0.15 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1it6 h ARG 132 CO 0.00 1.01 -1.37 0.82 2.80 0.00 0.00 179.97 183.23 1it6 h ILE 133 N 0.27 0.92 -0.08 1.20 2.04 -1.51 -3.42 117.51 116.94 1it6 h ILE 133 Ca -0.04 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.56 1it6 h ILE 133 Cb 1.37 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1it6 h ILE 133 CO 0.13 0.52 0.00 -1.22 0.00 0.00 0.00 178.15 177.58 1it6 n TYR 134 N -4.16 0.16 0.00 1.37 4.01 -0.87 -4.93 117.16 112.74 1it6 n TYR 134 Ca -0.30 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1it6 n TYR 134 Cb 0.78 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 1it6 n TYR 134 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1it6 n GLY 135 N 0.45 3.74 0.22 2.72 0.00 -1.25 -1.34 105.19 109.72 1it6 n GLY 135 Ca 0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 1it6 n GLY 135 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1it6 h PHE 136 N 0.00 0.18 -0.43 1.61 3.57 -1.89 -1.11 116.94 118.86 1it6 h PHE 136 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1it6 h PHE 136 Cb 0.00 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1it6 h PHE 136 CO 0.00 -0.02 0.21 -0.92 -2.23 0.00 0.00 178.31 175.35 1it6 h TYR 137 N 0.25 0.39 -0.83 0.41 3.20 -1.60 -0.34 116.97 118.45 1it6 h TYR 137 Ca 0.29 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1it6 h TYR 137 Cb 0.41 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1it6 h TYR 137 CO -0.24 0.20 0.41 -0.44 -1.64 0.00 0.00 178.16 176.45 1it6 h ASP 138 N 0.43 1.07 -0.27 -2.11 3.32 -1.64 -1.01 116.42 116.20 1it6 h ASP 138 Ca 0.19 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1it6 h ASP 138 Cb 0.10 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1it6 h ASP 138 CO -0.13 0.89 0.06 -0.08 -1.72 0.00 0.00 179.24 178.26 1it6 h GLU 139 N 1.17 0.43 -0.33 3.56 4.81 -0.77 -0.85 114.58 122.60 1it6 h GLU 139 Ca 0.29 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1it6 h GLU 139 Cb 0.09 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1it6 h GLU 139 CO -0.04 0.53 0.17 0.00 -0.73 0.00 0.00 179.01 178.93 1it6 h LYS 141 N 0.35 0.71 -0.53 0.00 3.64 -1.10 0.10 116.57 119.73 1it6 h LYS 141 Ca 0.14 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1it6 h LYS 141 Cb 0.04 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1it6 h LYS 141 CO -0.09 0.61 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.48 1it6 h ARG 142 N 0.64 1.03 0.00 1.90 2.43 -0.93 -3.34 114.38 116.10 1it6 h ARG 142 Ca 0.16 -0.40 -0.22 0.00 -0.81 0.00 0.00 59.98 58.71 1it6 h ARG 142 Cb 0.15 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1it6 h ARG 142 CO -0.02 1.08 -1.72 0.54 -1.51 0.00 0.00 179.97 178.35 1it6 n ARG 143 N -4.14 0.64 0.00 0.20 1.74 -0.46 -4.97 116.66 109.67 1it6 n ARG 143 Ca 0.01 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1it6 n ARG 143 Cb 0.42 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1it6 n ARG 143 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1it6 n TYR 144 N -2.85 0.00 -3.73 -1.55 4.01 0.25 -5.09 117.16 108.20 1it6 n TYR 144 Ca -0.15 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.58 1it6 n TYR 144 Cb 0.93 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.96 1it6 n TYR 144 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1it6 s ASN 145 N 1.00 -0.09 0.24 7.72 2.20 -0.59 -4.84 114.94 120.58 1it6 s ASN 145 Ca 0.00 -0.32 -0.04 0.00 -0.94 0.00 0.00 52.86 51.56 1it6 s ASN 145 Cb 0.00 0.34 0.27 0.00 -2.00 0.00 0.00 41.25 39.86 1it6 s ASN 145 CO 0.00 -0.64 1.76 0.40 -2.94 0.00 0.00 177.10 175.68 1it6 h ILE 146 N 2.00 1.25 -0.48 0.54 1.08 -1.87 -2.95 117.51 117.07 1it6 h ILE 146 Ca -0.27 -0.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.30 1it6 h ILE 146 Cb 1.22 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 1it6 h ILE 146 CO 0.28 0.35 0.32 0.11 -0.69 0.00 0.00 178.15 178.53 1it6 h LYS 147 N 0.89 0.45 -0.55 2.37 1.79 -1.97 -0.13 116.57 119.42 1it6 h LYS 147 Ca 0.18 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1it6 h LYS 147 Cb 0.38 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 1it6 h LYS 147 CO 0.01 0.30 0.03 1.25 -1.08 0.00 0.00 179.45 179.95 1it6 h LEU 148 N 0.47 0.89 -0.84 2.94 5.85 -1.91 -1.52 115.31 121.19 1it6 h LEU 148 Ca 0.20 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1it6 h LEU 148 Cb 0.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1it6 h LEU 148 CO -0.05 0.94 0.19 -0.25 -0.34 0.00 0.00 178.44 178.93 1it6 h TRP 149 N 0.86 1.09 -0.41 1.25 7.01 -1.08 -1.74 115.95 122.94 1it6 h TRP 149 Ca 0.17 -0.11 -0.08 0.00 2.11 0.00 0.00 58.89 60.97 1it6 h TRP 149 Cb 0.47 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1it6 h TRP 149 CO 0.03 0.88 -0.09 0.87 -2.79 0.00 0.00 178.44 177.33 1it6 h LYS 150 N 1.01 0.71 -0.62 2.65 1.57 -0.78 -1.60 116.57 119.52 1it6 h LYS 150 Ca 0.22 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1it6 h LYS 150 Cb 0.31 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1it6 h LYS 150 CO -0.00 0.79 0.03 1.15 -0.57 0.00 0.00 179.45 180.84 1it6 h THR 151 N 0.65 1.26 -0.64 -0.16 2.02 -0.88 -2.14 112.91 113.02 1it6 h THR 151 Ca 0.12 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 1it6 h THR 151 Cb 0.54 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1it6 h THR 151 CO 0.03 0.41 0.31 -0.26 0.37 0.00 0.00 175.52 176.38 1it6 h PHE 152 N 0.98 0.90 -0.66 3.16 0.04 -0.88 -2.10 116.94 118.38 1it6 h PHE 152 Ca 0.18 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 1it6 h PHE 152 Cb 0.52 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1it6 h PHE 152 CO 0.04 0.66 0.28 1.15 -0.60 0.00 0.00 178.31 179.84 1it6 h THR 153 N 0.91 1.23 -0.72 -1.55 2.02 -0.69 0.24 112.91 114.35 1it6 h THR 153 Ca 0.22 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1it6 h THR 153 Cb 0.09 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1it6 h THR 153 CO -0.03 0.28 0.43 0.44 0.37 0.00 0.00 175.52 177.01 1it6 h ASP 154 N 0.92 0.88 0.28 4.18 3.32 -0.83 -1.26 116.42 123.91 1it6 h ASP 154 Ca 0.22 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1it6 h ASP 154 Cb 0.17 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1it6 h ASP 154 CO -0.02 0.69 -0.14 0.00 -1.72 0.00 0.00 179.24 178.06 1it6 h PHE 156 N -0.48 0.87 0.00 0.00 0.04 -0.66 -0.94 116.94 115.77 1it6 h PHE 156 Ca -0.04 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1it6 h PHE 156 Cb 0.36 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1it6 h PHE 156 CO -0.03 0.34 0.00 0.09 -0.60 0.00 0.00 178.31 178.11 1it6 n ASN 157 N -4.56 0.00 -0.41 2.17 3.02 -0.50 -2.26 115.26 112.73 1it6 n ASN 157 Ca 0.17 -0.04 0.04 0.00 -0.03 0.00 0.00 54.58 54.72 1it6 n ASN 157 Cb 0.42 -0.19 0.07 0.00 -0.61 0.00 0.00 39.78 39.48 1it6 n ASN 157 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1it6 s LEU 159 N -0.85 4.28 0.65 0.00 1.43 -0.96 -4.46 118.68 118.77 1it6 s LEU 159 Ca 0.14 2.50 -0.16 0.00 -1.03 0.00 0.00 54.13 55.58 1it6 s LEU 159 Cb 0.08 -3.87 -0.00 0.00 0.03 0.00 0.00 46.19 42.42 1it6 s LEU 159 CO 0.11 -0.65 1.13 -2.16 0.23 0.00 0.00 176.35 175.01 1it6 s PRO 160 N -2.10 2.80 -0.13 1.29 0.04 -1.26 -4.73 135.00 130.91 1it6 s PRO 160 Ca 0.54 1.48 0.11 0.00 0.04 0.00 0.00 61.00 63.18 1it6 s PRO 160 Cb -0.35 -1.94 -0.24 0.00 0.04 0.00 0.00 34.50 32.01 1it6 s PRO 160 CO 0.45 -1.27 0.32 -0.89 0.04 0.00 0.00 177.00 175.65 1it6 n ILE 161 N -2.27 1.54 -4.00 0.56 2.08 -0.34 -1.60 119.36 115.32 1it6 n ILE 161 Ca 0.11 -0.78 -0.10 0.00 0.56 0.00 0.00 62.75 62.54 1it6 n ILE 161 Cb 0.52 -0.96 -0.04 0.00 -0.75 0.00 0.00 39.64 38.41 1it6 n ILE 161 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1it6 s ALA 162 N -2.55 -0.07 0.09 -1.39 0.00 -1.17 -4.46 121.76 112.22 1it6 s ALA 162 Ca -0.12 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1it6 s ALA 162 Cb 0.07 1.05 0.01 0.00 0.00 0.00 0.00 23.12 24.26 1it6 s ALA 162 CO 0.80 -0.85 0.26 0.00 0.00 0.00 0.00 175.76 175.96 1it6 s ALA 163 N -3.66 -0.46 -0.08 0.00 0.00 -0.31 -1.08 121.76 116.18 1it6 s ALA 163 Ca 0.24 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1it6 s ALA 163 Cb -0.01 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.66 1it6 s ALA 163 CO 0.12 -0.53 -0.00 0.42 0.00 0.00 0.00 175.76 175.76 1it6 s ILE 164 N -3.69 0.43 -0.18 0.00 1.01 0.12 -0.29 121.20 118.60 1it6 s ILE 164 Ca 0.03 0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 1it6 s ILE 164 Cb 0.03 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 1it6 s ILE 164 CO -0.10 0.25 0.44 -0.69 0.00 0.00 0.00 174.94 174.83 1it6 s VAL 165 N 1.95 5.18 -1.72 2.92 1.01 0.19 -1.40 120.40 128.53 1it6 s VAL 165 Ca 0.05 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.69 1it6 s VAL 165 Cb -0.12 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.63 1it6 s VAL 165 CO -0.06 0.26 0.58 0.47 0.00 0.00 0.00 175.10 176.35 1it6 n ASP 166 N 4.28 -1.91 -0.23 3.32 8.00 0.12 -1.05 116.55 129.08 1it6 n ASP 166 Ca -0.07 -1.13 -0.03 0.00 0.71 0.00 0.00 54.79 54.27 1it6 n ASP 166 Cb 0.51 -2.21 -0.01 0.00 -0.02 0.00 0.00 41.12 39.39 1it6 n ASP 166 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1it6 n GLU 167 N -4.30 -1.90 0.00 -1.24 1.02 -1.26 -4.69 120.64 108.27 1it6 n GLU 167 Ca -0.00 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1it6 n GLU 167 Cb 0.52 -4.64 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 1it6 n GLU 167 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1it6 n LYS 168 N 0.35 2.37 -3.85 3.49 4.76 -0.22 -4.64 118.16 120.42 1it6 n LYS 168 Ca -0.03 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.05 1it6 n LYS 168 Cb 0.43 -0.82 -0.13 0.00 -1.84 0.00 0.00 35.03 32.66 1it6 n LYS 168 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1it6 s ILE 169 N -1.46 3.52 -0.09 -0.18 1.01 -0.80 -0.10 121.20 123.11 1it6 s ILE 169 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 1it6 s ILE 169 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1it6 s ILE 169 CO 0.00 0.17 0.52 0.12 0.00 0.00 0.00 174.94 175.75 1it6 s PHE 170 N 1.44 3.56 -0.07 3.97 5.36 -0.30 -0.63 117.98 131.31 1it6 s PHE 170 Ca 0.02 0.98 0.03 0.00 -0.96 0.00 0.00 56.93 57.01 1it6 s PHE 170 Cb -0.17 -2.58 0.01 0.00 -0.34 0.00 0.00 43.02 39.94 1it6 s PHE 170 CO -0.01 0.21 -0.16 0.00 -1.46 0.00 0.00 175.22 173.80 1it6 h HIS 173 N 2.19 -0.44 0.00 0.00 2.76 -1.73 -3.35 115.15 114.58 1it6 h HIS 173 Ca -0.29 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 1it6 h HIS 173 Cb 1.26 0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.37 1it6 h HIS 173 CO 0.35 -0.27 0.00 0.41 -1.30 0.00 0.00 177.93 177.12 1it6 n GLY 174 N -0.01 -0.19 0.00 5.26 0.00 0.47 -1.17 105.19 109.56 1it6 n GLY 174 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1it6 n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1it6 n GLY 175 N 1.99 -0.78 3.91 -0.02 0.00 -1.07 -4.58 105.19 104.64 1it6 n GLY 175 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1it6 n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1it6 s LEU 176 N 0.00 2.86 -0.01 0.99 1.43 -1.26 -4.05 118.68 118.64 1it6 s LEU 176 Ca 0.00 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1it6 s LEU 176 Cb 0.00 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1it6 s LEU 176 CO 0.00 -1.49 -0.04 -0.55 0.23 0.00 0.00 176.35 174.50 1it6 s SER 177 N -4.45 0.53 0.52 2.29 0.15 -1.26 -4.62 113.70 106.86 1it6 s SER 177 Ca 0.59 -0.08 0.34 0.00 0.70 0.00 0.00 55.95 57.50 1it6 s SER 177 Cb -0.11 -0.09 1.66 0.00 -1.71 0.00 0.00 66.02 65.77 1it6 s SER 177 CO 0.47 0.03 2.04 1.55 1.20 0.00 0.00 173.24 178.53 1it6 h PRO 178 N 6.21 0.00 -0.01 5.44 0.13 -1.98 -1.36 132.00 140.44 1it6 h PRO 178 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1it6 h PRO 178 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1it6 h PRO 178 CO 0.50 0.00 -0.25 -0.25 -0.23 0.00 0.00 178.00 177.77 1it6 n ASP 179 N -2.84 0.78 -4.49 1.44 8.00 -1.26 -4.77 116.55 113.42 1it6 n ASP 179 Ca -0.01 -0.67 -0.43 0.00 0.71 0.00 0.00 54.79 54.39 1it6 n ASP 179 Cb 0.17 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.32 1it6 n ASP 179 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1it6 s LEU 180 N -2.59 4.07 -0.07 0.64 2.96 -0.51 -4.77 118.68 118.41 1it6 s LEU 180 Ca 0.23 -0.74 0.10 0.00 -0.22 0.00 0.00 54.13 53.50 1it6 s LEU 180 Cb 0.19 -2.54 -0.15 0.00 0.50 0.00 0.00 46.19 44.19 1it6 s LEU 180 CO 0.54 -1.48 0.13 0.00 -1.32 0.00 0.00 176.35 174.21 1it6 n GLN 181 N 8.01 1.46 -3.86 1.98 1.13 -1.26 -4.90 117.38 119.94 1it6 n GLN 181 Ca -0.01 -0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 54.88 1it6 n GLN 181 Cb 0.47 -1.27 -0.12 0.00 0.11 0.00 0.00 30.24 29.42 1it6 n GLN 181 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1it6 s SER 182 N -3.89 -0.03 0.61 1.08 0.15 -1.26 -5.01 113.70 105.35 1it6 s SER 182 Ca -0.05 0.03 0.37 0.00 0.70 0.00 0.00 55.95 57.00 1it6 s SER 182 Cb 0.05 0.18 2.00 0.00 -1.71 0.00 0.00 66.02 66.55 1it6 s SER 182 CO 0.45 -0.13 2.25 0.24 1.20 0.00 0.00 173.24 177.25 1it6 h MET 183 N 5.51 0.00 -0.46 5.44 2.86 -2.01 -1.40 114.93 124.87 1it6 h MET 183 Ca -0.27 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1it6 h MET 183 Cb 1.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1it6 h MET 183 CO 0.44 0.02 0.30 1.49 1.06 0.00 0.00 176.91 180.22 1it6 h GLU 184 N 0.00 0.54 -0.88 1.72 4.57 -1.99 -2.33 114.58 116.21 1it6 h GLU 184 Ca -0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1it6 h GLU 184 Cb 0.12 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1it6 h GLU 184 CO 0.00 0.36 0.55 1.96 -1.18 0.00 0.00 179.01 180.69 1it6 h GLN 185 N 0.56 1.18 -0.37 1.92 4.20 -1.67 -2.00 115.11 118.93 1it6 h GLN 185 Ca 0.18 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 1it6 h GLN 185 Cb 0.03 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1it6 h GLN 185 CO -0.04 0.82 -0.38 0.82 -0.67 0.00 0.00 178.83 179.38 1it6 h ILE 186 N 1.20 1.28 0.00 2.54 2.04 -1.58 -3.05 117.51 119.94 1it6 h ILE 186 Ca 0.32 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 1it6 h ILE 186 Cb -0.07 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1it6 h ILE 186 CO -0.06 0.52 -0.05 0.03 0.00 0.00 0.00 178.15 178.58 1it6 h ARG 187 N 0.71 0.00 -0.01 2.37 3.08 -1.00 -2.56 114.38 116.98 1it6 h ARG 187 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1it6 h ARG 187 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1it6 h ARG 187 CO 0.09 0.05 -0.25 0.54 -1.07 0.00 0.00 179.97 179.34 1it6 n ARG 188 N -3.56 0.92 -2.06 0.04 1.74 -0.81 -4.87 116.66 108.06 1it6 n ARG 188 Ca -0.02 -0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 56.08 1it6 n ARG 188 Cb 0.16 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1it6 n ARG 188 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1it6 s ILE 189 N -2.46 3.34 0.06 0.55 1.01 -0.96 -4.97 121.20 117.76 1it6 s ILE 189 Ca 0.25 0.75 -0.11 0.00 0.00 0.00 0.00 60.65 61.54 1it6 s ILE 189 Cb 0.19 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 1it6 s ILE 189 CO 0.51 -0.00 0.40 -0.04 0.00 0.00 0.00 174.94 175.80 1it6 s MET 190 N 2.58 3.79 0.18 2.79 -1.94 -1.26 -4.99 119.30 120.45 1it6 s MET 190 Ca 0.70 0.22 0.10 0.00 -1.71 0.00 0.00 55.69 55.00 1it6 s MET 190 Cb -0.36 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 1it6 s MET 190 CO 0.30 0.59 -0.15 1.03 -0.01 0.00 0.00 175.02 176.78 1it6 s ARG 191 N -1.74 1.87 0.63 2.03 0.52 -1.26 -4.29 118.95 116.72 1it6 s ARG 191 Ca 0.31 -1.35 -0.16 0.00 -0.52 0.00 0.00 55.73 54.02 1it6 s ARG 191 Cb -0.14 -2.06 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 1it6 s ARG 191 CO 0.17 0.42 1.10 -1.25 0.02 0.00 0.00 175.30 175.77 1it6 s PRO 192 N -2.75 2.95 0.10 3.54 0.04 -1.26 -5.09 135.00 132.53 1it6 s PRO 192 Ca 0.23 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 62.43 1it6 s PRO 192 Cb -0.09 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.54 1it6 s PRO 192 CO 0.13 -1.13 0.56 -0.08 0.04 0.00 0.00 177.00 176.52 1it6 s THR 193 N -2.30 0.02 0.46 1.26 -1.32 -0.60 -5.02 115.64 108.13 1it6 s THR 193 Ca 0.67 -0.16 0.08 0.00 -1.21 0.00 0.00 61.69 61.07 1it6 s THR 193 Cb -0.20 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 1it6 s THR 193 CO 0.39 -0.09 0.45 -0.62 -2.21 0.00 0.00 174.62 172.54 1it6 s ASP 194 N -2.39 5.05 -0.25 8.08 3.68 -1.26 -4.44 116.67 125.14 1it6 s ASP 194 Ca -0.02 -0.81 -0.19 0.00 2.13 0.00 0.00 52.55 53.67 1it6 s ASP 194 Cb -0.00 -0.32 -0.03 0.00 -1.45 0.00 0.00 42.92 41.12 1it6 s ASP 194 CO -0.07 -0.82 0.55 -0.69 0.13 0.00 0.00 175.17 174.27 1it6 s VAL 195 N -2.53 5.05 1.10 1.11 1.01 -1.26 -5.06 120.40 119.82 1it6 s VAL 195 Ca 0.48 0.97 -0.14 0.00 0.00 0.00 0.00 61.98 63.30 1it6 s VAL 195 Cb -0.04 -3.86 0.24 0.00 0.00 0.00 0.00 36.38 32.72 1it6 s VAL 195 CO 0.29 0.08 1.06 -2.84 0.00 0.00 0.00 175.10 173.69 1it6 s PRO 196 N 2.25 -0.40 0.00 2.72 0.02 -1.26 -4.94 135.00 133.39 1it6 s PRO 196 Ca 0.23 0.52 0.27 0.00 0.02 0.00 0.00 61.00 62.05 1it6 s PRO 196 Cb -0.16 -1.64 0.97 0.00 0.02 0.00 0.00 34.50 33.69 1it6 s PRO 196 CO 0.09 -3.29 1.70 -0.40 -0.33 0.00 0.00 177.00 174.77 1it6 n ASP 197 N -4.57 0.76 -3.65 2.53 5.68 -1.26 -4.59 116.55 111.45 1it6 n ASP 197 Ca 0.05 -0.72 -0.08 0.00 -0.50 0.00 0.00 54.79 53.54 1it6 n ASP 197 Cb 0.57 0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.56 1it6 n ASP 197 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1it6 s GLN 198 N -2.50 1.32 0.00 0.11 -2.07 -1.26 -4.73 119.66 110.53 1it6 s GLN 198 Ca 0.26 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 53.16 1it6 s GLN 198 Cb 0.20 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.63 1it6 s GLN 198 CO 0.50 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 1it6 n GLY 199 N -0.40 -2.00 0.45 2.60 0.00 -1.26 -4.54 105.19 100.04 1it6 n GLY 199 Ca -0.09 -2.20 -0.16 0.00 0.00 0.00 0.00 46.02 43.58 1it6 n GLY 199 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1it6 h LEU 200 N 0.00 -1.39 -0.86 0.99 5.85 -1.99 -0.63 115.31 117.27 1it6 h LEU 200 Ca 0.00 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1it6 h LEU 200 Cb 0.00 0.51 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1it6 h LEU 200 CO 0.00 -0.54 0.50 0.25 -0.34 0.00 0.00 178.44 178.31 1it6 h LEU 201 N -0.73 0.71 -0.22 2.25 5.85 -1.97 -0.88 115.31 120.31 1it6 h LEU 201 Ca 0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1it6 h LEU 201 Cb 0.73 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1it6 h LEU 201 CO -0.25 0.38 0.08 0.00 -0.34 0.00 0.00 178.44 178.31 1it6 h ASP 203 N 0.20 0.92 0.08 0.00 3.32 -0.19 -0.01 116.42 120.74 1it6 h ASP 203 Ca 0.07 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1it6 h ASP 203 Cb 0.22 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1it6 h ASP 203 CO -0.00 0.76 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.17 1it6 h LEU 204 N 1.01 0.00 0.00 1.55 3.38 -1.14 -1.00 115.31 119.11 1it6 h LEU 204 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1it6 h LEU 204 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1it6 h LEU 204 CO -0.04 0.03 -1.68 0.18 0.09 0.00 0.00 178.44 177.02 1it6 n LEU 205 N -3.82 0.26 -0.01 1.67 4.77 -0.85 -0.39 117.00 118.62 1it6 n LEU 205 Ca -0.03 -0.14 0.02 0.00 -0.03 0.00 0.00 56.01 55.83 1it6 n LEU 205 Cb 0.12 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1it6 n LEU 205 CO 0.28 0.06 -0.57 0.79 -1.33 0.00 0.00 177.39 176.63 1it6 n TRP 206 N -2.02 0.00 -1.17 -1.77 7.02 -0.07 -3.89 117.44 115.53 1it6 n TRP 206 Ca -0.02 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.15 1it6 n TRP 206 Cb 0.48 -0.13 0.11 0.00 -2.42 0.00 0.00 31.31 29.35 1it6 n TRP 206 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1it6 s SER 207 N -2.71 4.14 0.02 -0.99 1.04 -0.43 -4.85 113.70 109.93 1it6 s SER 207 Ca -0.02 1.83 -0.00 0.00 0.48 0.00 0.00 55.95 58.24 1it6 s SER 207 Cb 0.03 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 1it6 s SER 207 CO 0.20 -2.27 -0.03 -1.81 0.98 0.00 0.00 173.24 170.31 1it6 s ASP 208 N -3.30 0.27 0.31 7.02 1.01 -1.16 -3.67 116.67 117.16 1it6 s ASP 208 Ca 0.62 -0.54 -0.21 0.00 0.71 0.00 0.00 52.55 53.14 1it6 s ASP 208 Cb -0.18 0.11 -0.09 0.00 1.01 0.00 0.00 42.92 43.76 1it6 s ASP 208 CO 0.56 -0.32 0.83 -2.16 0.21 0.00 0.00 175.17 174.30 1it6 s PRO 209 N -1.64 4.29 -0.09 8.23 0.04 -1.26 -1.84 135.00 142.73 1it6 s PRO 209 Ca -0.14 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.88 1it6 s PRO 209 Cb -0.09 -2.63 0.03 0.00 0.04 0.00 0.00 34.50 31.86 1it6 s PRO 209 CO -0.02 0.23 0.02 0.34 0.04 0.00 0.00 177.00 177.61 1it6 s ASP 210 N -1.87 1.77 0.55 6.66 -1.08 0.17 -4.81 116.67 118.06 1it6 s ASP 210 Ca 0.51 -0.20 0.33 0.00 -0.52 0.00 0.00 52.55 52.67 1it6 s ASP 210 Cb -0.14 -0.42 1.58 0.00 -1.46 0.00 0.00 42.92 42.48 1it6 s ASP 210 CO 0.19 -0.22 2.09 0.11 0.52 0.00 0.00 175.17 177.86 1it6 h LYS 211 N 8.33 0.00 -0.57 4.34 1.57 -1.97 -3.01 116.57 125.27 1it6 h LYS 211 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1it6 h LYS 211 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1it6 h LYS 211 CO 0.26 0.07 0.00 -0.25 -0.57 0.00 0.00 179.45 178.96 1it6 n ASP 212 N -3.34 3.29 -4.60 0.86 8.00 -1.26 -4.87 116.55 114.63 1it6 n ASP 212 Ca -0.01 -1.98 -0.29 0.00 0.71 0.00 0.00 54.79 53.21 1it6 n ASP 212 Cb 0.24 -0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 1it6 n ASP 212 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1it6 s VAL 213 N -1.25 3.50 -0.34 2.53 0.11 -1.13 -5.08 120.40 118.72 1it6 s VAL 213 Ca 0.41 -1.26 -0.07 0.00 -2.93 0.00 0.00 61.98 58.13 1it6 s VAL 213 Cb 0.22 -2.66 0.04 0.00 -1.53 0.00 0.00 36.38 32.45 1it6 s VAL 213 CO 0.29 0.08 0.12 -0.76 -3.33 0.00 0.00 175.10 171.50 1it6 s LEU 214 N -2.32 4.35 0.00 2.54 1.43 -1.26 -4.25 118.68 119.18 1it6 s LEU 214 Ca 0.23 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 1it6 s LEU 214 Cb -0.11 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1it6 s LEU 214 CO 0.15 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1it6 n GLY 215 N 4.85 1.22 3.64 -3.19 0.00 -1.26 -4.82 105.19 105.63 1it6 n GLY 215 Ca -0.12 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1it6 n GLY 215 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1it6 s TRP 216 N 0.00 3.04 0.27 1.61 0.52 -1.26 -0.79 118.94 122.33 1it6 s TRP 216 Ca 0.00 0.09 0.03 0.00 0.02 0.00 0.00 56.10 56.24 1it6 s TRP 216 Cb 0.00 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 1it6 s TRP 216 CO 0.00 0.41 0.19 0.20 0.02 0.00 0.00 176.95 177.78 1it6 s GLY 217 N -1.07 1.91 0.37 0.98 0.00 -0.01 -4.95 107.32 104.55 1it6 s GLY 217 Ca 0.15 -1.85 -0.25 0.00 0.00 0.00 0.00 44.72 42.76 1it6 s GLY 217 CO 0.04 -1.47 1.05 -0.54 0.00 0.00 0.00 173.10 172.18 1it6 s GLU 218 N -3.82 4.30 -0.20 2.90 2.02 -1.26 -0.56 118.70 122.08 1it6 s GLU 218 Ca 0.39 1.55 -0.08 0.00 0.02 0.00 0.00 54.97 56.85 1it6 s GLU 218 Cb 0.05 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 1it6 s GLU 218 CO 0.19 -0.03 0.08 1.21 0.02 0.00 0.00 175.26 176.73 1it6 s ASN 219 N -1.43 5.67 0.37 -0.19 3.84 -1.23 -4.32 114.94 117.66 1it6 s ASN 219 Ca 0.54 0.06 0.25 0.00 0.21 0.00 0.00 52.86 53.93 1it6 s ASN 219 Cb -0.24 -1.98 1.35 0.00 -0.55 0.00 0.00 41.25 39.83 1it6 s ASN 219 CO 0.30 0.14 1.77 0.44 -2.79 0.00 0.00 177.10 176.96 1it6 h ASP 220 N 6.96 0.00 0.52 -4.21 3.32 -1.93 -1.89 116.42 119.19 1it6 h ASP 220 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1it6 h ASP 220 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1it6 h ASP 220 CO 0.69 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.75 1it6 n ARG 221 N -2.38 0.05 -0.26 3.56 1.74 -1.26 -4.85 116.66 113.26 1it6 n ARG 221 Ca -0.01 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1it6 n ARG 221 Cb 0.05 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1it6 n ARG 221 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1it6 n GLY 222 N -0.08 0.71 3.35 -0.13 0.00 -0.71 -5.05 105.19 103.28 1it6 n GLY 222 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1it6 n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1it6 s VAL 223 N -2.34 0.05 0.00 1.61 0.11 -1.25 -5.06 120.40 113.52 1it6 s VAL 223 Ca 0.00 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1it6 s VAL 223 Cb 0.00 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1it6 s VAL 223 CO 0.00 -0.21 0.00 -0.24 -3.33 0.00 0.00 175.10 171.32 1it6 n SER 224 N 0.23 -1.88 -4.04 3.54 2.88 -1.26 -4.54 113.62 108.56 1it6 n SER 224 Ca -0.18 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.15 1it6 n SER 224 Cb 0.61 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.98 1it6 n SER 224 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1it6 s PHE 225 N 0.00 1.72 0.22 0.66 0.40 -1.26 -3.52 117.98 116.20 1it6 s PHE 225 Ca 0.00 -1.32 0.10 0.00 -0.60 0.00 0.00 56.93 55.12 1it6 s PHE 225 Cb 0.00 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1it6 s PHE 225 CO 0.00 -0.41 -0.14 0.95 0.70 0.00 0.00 175.22 176.32 1it6 s THR 226 N -3.41 2.86 0.04 0.64 -4.23 0.27 -2.97 115.64 108.84 1it6 s THR 226 Ca 0.32 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1it6 s THR 226 Cb 0.04 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 1it6 s THR 226 CO 0.17 -0.21 -0.09 0.72 -0.54 0.00 0.00 174.62 174.67 1it6 s PHE 227 N -1.95 0.74 0.86 3.99 -0.71 -0.76 -0.83 117.98 119.31 1it6 s PHE 227 Ca 0.26 -0.43 -0.07 0.00 -1.04 0.00 0.00 56.93 55.64 1it6 s PHE 227 Cb -0.07 -0.44 0.18 0.00 -1.21 0.00 0.00 43.02 41.48 1it6 s PHE 227 CO 0.14 -0.05 1.17 0.41 -1.34 0.00 0.00 175.22 175.55 1it6 n GLY 228 N 1.66 -0.28 0.21 1.99 0.00 0.03 -0.66 105.19 108.13 1it6 n GLY 228 Ca -0.21 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 43.96 1it6 n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it6 h ALA 229 N -1.12 1.40 -0.09 4.61 0.00 -1.78 -2.87 119.26 119.41 1it6 h ALA 229 Ca -0.38 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.11 1it6 h ALA 229 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1it6 h ALA 229 CO 0.34 0.37 -0.58 1.05 0.00 0.00 0.00 179.25 180.43 1it6 h GLU 230 N 0.00 0.29 -0.72 0.00 9.09 -1.94 -2.14 114.58 119.16 1it6 h GLU 230 Ca -0.00 -0.19 -0.04 0.00 0.05 0.00 0.00 59.36 59.17 1it6 h GLU 230 Cb 0.56 0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.65 1it6 h GLU 230 CO 0.04 0.79 0.27 0.28 0.05 0.00 0.00 179.01 180.44 1it6 h VAL 231 N 0.22 1.25 0.31 -1.06 2.07 -1.83 -1.23 116.25 115.97 1it6 h VAL 231 Ca -0.00 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1it6 h VAL 231 Cb 1.09 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1it6 h VAL 231 CO 0.09 0.32 -0.15 0.58 0.02 0.00 0.00 177.57 178.44 1it6 h VAL 232 N 1.04 0.72 -0.34 2.57 2.07 -1.49 0.11 116.25 120.93 1it6 h VAL 232 Ca 0.24 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1it6 h VAL 232 Cb 0.23 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1it6 h VAL 232 CO -0.02 0.04 0.05 0.00 0.02 0.00 0.00 177.57 177.67 1it6 h ALA 233 N 0.15 0.35 -0.65 1.67 0.00 -1.24 0.01 119.26 119.56 1it6 h ALA 233 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1it6 h ALA 233 Cb 0.39 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1it6 h ALA 233 CO 0.07 -0.35 0.33 0.87 0.00 0.00 0.00 179.25 180.17 1it6 h LYS 234 N 0.16 0.92 0.24 0.00 1.57 -1.13 -1.21 116.57 117.13 1it6 h LYS 234 Ca 0.16 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1it6 h LYS 234 Cb 0.19 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1it6 h LYS 234 CO -0.23 0.72 -0.15 0.35 -0.57 0.00 0.00 179.45 179.57 1it6 h PHE 235 N 0.89 -0.39 -0.58 -1.35 3.57 -0.21 -1.55 116.94 117.32 1it6 h PHE 235 Ca 0.23 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1it6 h PHE 235 Cb 0.09 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1it6 h PHE 235 CO -0.00 -0.24 0.35 -0.07 -2.23 0.00 0.00 178.31 176.12 1it6 h LEU 236 N -0.38 0.57 -0.24 0.59 3.38 -0.89 -2.62 115.31 115.72 1it6 h LEU 236 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1it6 h LEU 236 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1it6 h LEU 236 CO 0.02 0.40 0.11 0.45 0.09 0.00 0.00 178.44 179.50 1it6 h HIS 237 N 0.69 0.36 0.00 1.13 3.86 -1.00 0.01 115.15 120.20 1it6 h HIS 237 Ca 0.23 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 1it6 h HIS 237 Cb 0.03 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1it6 h HIS 237 CO -0.06 0.37 -0.31 1.57 0.86 0.00 0.00 177.93 180.36 1it6 h LYS 238 N 0.25 0.00 -0.03 2.45 2.10 -1.18 -2.76 116.57 117.40 1it6 h LYS 238 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1it6 h LYS 238 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1it6 h LYS 238 CO -0.01 0.31 -0.08 0.72 -2.00 0.00 0.00 179.45 178.40 1it6 n HIS 239 N -3.73 0.00 -3.39 0.07 8.25 -1.00 -4.98 115.22 110.45 1it6 n HIS 239 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.28 1it6 n HIS 239 Cb 0.41 -0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.61 1it6 n HIS 239 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1it6 n ASP 240 N 0.96 -2.42 -4.69 0.41 2.03 -0.14 -5.02 116.55 107.68 1it6 n ASP 240 Ca 0.14 -0.59 -0.24 0.00 0.52 0.00 0.00 54.79 54.62 1it6 n ASP 240 Cb 0.55 -4.95 -0.07 0.00 -0.72 0.00 0.00 41.12 35.92 1it6 n ASP 240 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1it6 s LEU 241 N -6.28 3.14 -0.11 -2.67 1.43 -0.41 -4.76 118.68 109.03 1it6 s LEU 241 Ca 0.05 -0.88 0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1it6 s LEU 241 Cb -0.02 -1.56 -0.16 0.00 0.03 0.00 0.00 46.19 44.47 1it6 s LEU 241 CO 0.70 -0.28 0.08 0.47 0.23 0.00 0.00 176.35 177.56 1it6 n ASP 242 N -1.07 1.90 -3.67 2.29 8.00 0.86 -4.60 116.55 120.26 1it6 n ASP 242 Ca -0.03 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.31 1it6 n ASP 242 Cb 0.62 0.94 -0.08 0.00 -0.02 0.00 0.00 41.12 42.58 1it6 n ASP 242 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1it6 s LEU 243 N -4.77 0.26 -0.12 0.64 2.96 -1.02 -4.79 118.68 111.84 1it6 s LEU 243 Ca -0.06 0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1it6 s LEU 243 Cb 0.05 1.76 -0.02 0.00 0.50 0.00 0.00 46.19 48.48 1it6 s LEU 243 CO 0.52 -0.50 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.29 1it6 s ILE 244 N -1.24 3.10 -0.10 6.68 1.01 -0.45 -1.15 121.20 129.05 1it6 s ILE 244 Ca -0.12 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1it6 s ILE 244 Cb -0.03 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1it6 s ILE 244 CO 0.06 0.53 -0.22 0.00 0.00 0.00 0.00 174.94 175.31 1it6 s ARG 246 N 0.44 1.87 0.00 0.00 1.04 -0.57 -2.08 118.95 119.64 1it6 s ARG 246 Ca -0.17 -1.69 0.00 0.00 -1.04 0.00 0.00 55.73 52.83 1it6 s ARG 246 Cb -0.17 0.45 0.00 0.00 -2.04 0.00 0.00 34.95 33.18 1it6 s ARG 246 CO 0.07 -0.78 0.00 0.00 -0.04 0.00 0.00 175.30 174.55 1it6 n ALA 247 N -0.54 0.00 0.00 7.88 0.00 -0.32 -0.18 120.51 127.35 1it6 n ALA 247 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1it6 n ALA 247 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1it6 n ALA 247 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1it6 n HIS 248 N 0.00 0.00 -4.30 0.00 -0.00 -1.24 -4.69 115.22 104.99 1it6 n HIS 248 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 1it6 n HIS 248 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 1it6 n HIS 248 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1it6 s GLN 249 N 0.00 3.55 0.01 1.57 0.74 -1.26 -5.08 119.66 119.19 1it6 s GLN 249 Ca 0.00 -0.57 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 1it6 s GLN 249 Cb 0.00 -2.92 -0.06 0.00 1.10 0.00 0.00 33.01 31.13 1it6 s GLN 249 CO 0.00 0.10 1.42 0.54 -0.55 0.00 0.00 175.29 176.79 1it6 s VAL 250 N 0.72 3.66 -0.04 1.34 0.11 -1.26 -4.71 120.40 120.22 1it6 s VAL 250 Ca -0.02 1.05 0.06 0.00 -2.93 0.00 0.00 61.98 60.14 1it6 s VAL 250 Cb -0.15 -3.68 -0.01 0.00 -1.53 0.00 0.00 36.38 31.02 1it6 s VAL 250 CO 0.02 0.00 -0.21 0.68 -3.33 0.00 0.00 175.10 172.26 1it6 s VAL 251 N 2.37 1.74 0.44 2.04 -7.23 -1.26 -5.06 120.40 113.44 1it6 s VAL 251 Ca 0.64 -0.91 0.20 0.00 -1.81 0.00 0.00 61.98 60.10 1it6 s VAL 251 Cb -0.32 -1.46 0.40 0.00 0.56 0.00 0.00 36.38 35.56 1it6 s VAL 251 CO 0.27 0.49 1.86 1.05 -0.31 0.00 0.00 175.10 178.46 1it6 h GLU 252 N 5.91 0.32 -0.73 4.82 4.11 -1.91 -2.58 114.58 124.51 1it6 h GLU 252 Ca -0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1it6 h GLU 252 Cb 1.16 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1it6 h GLU 252 CO 0.47 0.21 0.00 -0.25 0.07 0.00 0.00 179.01 179.52 1it6 n ASP 253 N -4.48 4.15 0.00 3.06 8.00 -1.26 -0.98 116.55 125.04 1it6 n ASP 253 Ca 0.19 -2.08 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1it6 n ASP 253 Cb 0.75 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1it6 n ASP 253 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1it6 n GLY 254 N 1.60 2.78 3.29 0.44 0.00 -0.97 -4.66 105.19 107.67 1it6 n GLY 254 Ca 0.25 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1it6 n GLY 254 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1it6 s TYR 255 N -1.83 -0.14 -0.21 1.61 1.13 -1.26 -0.56 117.35 116.10 1it6 s TYR 255 Ca 0.00 -0.14 -0.11 0.00 -1.41 0.00 0.00 57.07 55.41 1it6 s TYR 255 Cb 0.00 0.18 0.07 0.00 -1.10 0.00 0.00 41.96 41.11 1it6 s TYR 255 CO 0.00 -0.63 0.50 -2.00 -2.51 0.00 0.00 175.55 170.91 1it6 s GLU 256 N -3.50 0.49 0.31 -3.49 2.12 -0.86 -4.93 118.70 108.84 1it6 s GLU 256 Ca 0.01 0.97 -0.19 0.00 0.36 0.00 0.00 54.97 56.12 1it6 s GLU 256 Cb 0.02 0.09 -0.09 0.00 0.26 0.00 0.00 34.13 34.40 1it6 s GLU 256 CO -0.10 -0.17 0.80 -0.06 -0.54 0.00 0.00 175.26 175.20 1it6 s PHE 257 N 1.64 3.50 0.01 5.30 0.08 -1.26 -1.43 117.98 125.81 1it6 s PHE 257 Ca -0.09 1.42 0.01 0.00 0.12 0.00 0.00 56.93 58.39 1it6 s PHE 257 Cb -0.08 -2.67 -0.01 0.00 -0.57 0.00 0.00 43.02 39.69 1it6 s PHE 257 CO -0.15 0.15 -0.05 0.12 -0.10 0.00 0.00 175.22 175.20 1it6 s PHE 258 N -1.82 0.41 -1.06 0.36 5.36 -0.05 -4.87 117.98 116.31 1it6 s PHE 258 Ca 0.51 -0.24 -0.16 0.00 -0.96 0.00 0.00 56.93 56.09 1it6 s PHE 258 Cb -0.13 -0.26 -0.01 0.00 -0.34 0.00 0.00 43.02 42.27 1it6 s PHE 258 CO 0.19 -0.05 0.78 0.00 -1.46 0.00 0.00 175.22 174.68 1it6 n ALA 259 N 2.39 -2.57 -3.65 11.12 0.00 -1.26 -2.02 120.51 124.53 1it6 n ALA 259 Ca -0.17 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 1it6 n ALA 259 Cb 0.57 -3.77 0.04 0.00 0.00 0.00 0.00 19.45 16.30 1it6 n ALA 259 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1it6 n LYS 260 N -3.71 -5.00 -2.11 0.00 5.02 -1.26 -2.13 118.16 108.97 1it6 n LYS 260 Ca -0.10 0.66 -0.21 0.00 -2.02 0.00 0.00 58.31 56.64 1it6 n LYS 260 Cb 0.59 -5.27 -0.04 0.00 -0.02 0.00 0.00 35.03 30.29 1it6 n LYS 260 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1it6 n ARG 261 N -4.22 -1.60 0.01 1.97 1.74 -1.18 -4.87 116.66 108.52 1it6 n ARG 261 Ca -0.29 1.09 0.12 0.00 -0.77 0.00 0.00 57.85 58.00 1it6 n ARG 261 Cb 0.67 -5.66 0.20 0.00 -1.02 0.00 0.00 32.46 26.65 1it6 n ARG 261 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1it6 n GLN 262 N -2.79 0.07 -3.81 5.56 6.02 -0.86 -4.87 117.38 116.71 1it6 n GLN 262 Ca -0.23 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.64 1it6 n GLN 262 Cb 0.69 -1.53 -0.12 0.00 1.02 0.00 0.00 30.24 30.30 1it6 n GLN 262 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1it6 s LEU 263 N -3.25 1.23 -0.03 1.08 0.20 -0.96 -1.33 118.68 115.62 1it6 s LEU 263 Ca 0.10 0.35 0.03 0.00 0.69 0.00 0.00 54.13 55.30 1it6 s LEU 263 Cb 0.17 0.72 0.00 0.00 -0.43 0.00 0.00 46.19 46.65 1it6 s LEU 263 CO 0.72 -0.11 -0.11 0.54 -0.29 0.00 0.00 176.35 177.10 1it6 s VAL 264 N -0.07 0.92 -0.19 1.68 0.11 0.04 -0.87 120.40 122.02 1it6 s VAL 264 Ca -0.02 -0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 58.52 1it6 s VAL 264 Cb -0.02 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1it6 s VAL 264 CO 0.01 0.28 0.04 -0.89 -3.33 0.00 0.00 175.10 171.20 1it6 s THR 265 N 0.09 4.50 -0.10 5.04 2.01 -0.51 -1.52 115.64 125.14 1it6 s THR 265 Ca -0.02 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1it6 s THR 265 Cb -0.08 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 1it6 s THR 265 CO 0.01 0.45 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.45 1it6 s LEU 266 N 0.59 2.49 -0.09 4.42 1.43 0.74 -2.03 118.68 126.23 1it6 s LEU 266 Ca 0.02 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1it6 s LEU 266 Cb -0.13 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1it6 s LEU 266 CO 0.02 0.19 -0.04 0.12 0.23 0.00 0.00 176.35 176.87 1it6 s PHE 267 N 0.17 1.09 -0.92 0.29 5.36 0.28 -3.90 117.98 120.35 1it6 s PHE 267 Ca -0.10 -0.46 0.17 0.00 -0.96 0.00 0.00 56.93 55.58 1it6 s PHE 267 Cb -0.16 -1.02 0.61 0.00 -0.34 0.00 0.00 43.02 42.11 1it6 s PHE 267 CO 0.06 -0.42 1.52 0.43 -1.46 0.00 0.00 175.22 175.34 1it6 n SER 268 N 5.04 4.25 -4.15 6.13 7.64 -0.82 -1.77 113.62 129.94 1it6 n SER 268 Ca -0.10 -2.46 -0.38 0.00 1.01 0.00 0.00 58.87 56.94 1it6 n SER 268 Cb 0.50 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1it6 n SER 268 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1it6 s ALA 269 N -1.86 3.32 0.46 -0.43 0.00 -0.79 -4.71 121.76 117.74 1it6 s ALA 269 Ca 0.44 -2.66 -0.24 0.00 0.00 0.00 0.00 51.96 49.50 1it6 s ALA 269 Cb 0.29 -2.61 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 1it6 s ALA 269 CO 0.20 -1.89 1.31 -2.14 0.00 0.00 0.00 175.76 173.24 1it6 s PRO 270 N 1.03 3.69 -1.31 0.00 0.02 -1.26 -3.28 135.00 133.88 1it6 s PRO 270 Ca 0.09 2.15 -0.01 0.00 0.02 0.00 0.00 61.00 63.25 1it6 s PRO 270 Cb -0.23 -2.56 -0.00 0.00 0.02 0.00 0.00 34.50 31.72 1it6 s PRO 270 CO -0.03 -0.72 0.65 -1.71 -0.33 0.00 0.00 177.00 174.86 1it6 n ASN 271 N -0.30 -1.25 -4.59 2.53 5.15 0.36 -4.84 115.26 112.32 1it6 n ASN 271 Ca 0.06 -0.86 -0.50 0.00 -0.60 0.00 0.00 54.58 52.68 1it6 n ASN 271 Cb 0.44 -3.85 -0.05 0.00 -0.53 0.00 0.00 39.78 35.80 1it6 n ASN 271 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1it6 n TYR 272 N -4.27 1.50 -0.99 1.20 -0.00 -1.21 -0.95 117.16 112.43 1it6 n TYR 272 Ca -0.29 0.62 0.00 0.00 -0.00 0.00 0.00 57.90 58.23 1it6 n TYR 272 Cb 0.68 -2.33 0.00 0.00 -0.00 0.00 0.00 39.34 37.69 1it6 n TYR 272 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1it6 n GLY 274 N 0.67 0.54 0.53 0.00 0.00 -0.13 -4.81 105.19 101.98 1it6 n GLY 274 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1it6 n GLY 274 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1it6 n GLU 275 N -1.86 0.16 -2.26 1.61 0.28 -0.92 -5.01 120.64 112.64 1it6 n GLU 275 Ca 0.00 0.06 -0.36 0.00 -0.16 0.00 0.00 57.16 56.70 1it6 n GLU 275 Cb 0.06 -0.89 -0.00 0.00 1.43 0.00 0.00 31.44 32.04 1it6 n GLU 275 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1it6 s PHE 276 N -2.13 2.72 -0.57 -1.84 0.40 -1.05 -4.92 117.98 110.59 1it6 s PHE 276 Ca -0.10 1.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.79 1it6 s PHE 276 Cb 0.03 -3.31 0.44 0.00 0.51 0.00 0.00 43.02 40.69 1it6 s PHE 276 CO 0.14 -1.55 1.72 -0.25 0.70 0.00 0.00 175.22 175.98 1it6 n ASP 277 N -1.10 6.65 -4.85 1.36 8.00 -1.26 -3.88 116.55 121.48 1it6 n ASP 277 Ca 0.11 -3.78 -0.32 0.00 0.71 0.00 0.00 54.79 51.51 1it6 n ASP 277 Cb 0.50 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 1it6 n ASP 277 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1it6 s ASN 278 N -2.37 6.61 0.56 -2.24 4.22 -1.26 -4.81 114.94 115.65 1it6 s ASN 278 Ca 0.58 1.52 0.02 0.00 -2.14 0.00 0.00 52.86 52.84 1it6 s ASN 278 Cb 0.46 -2.49 0.05 0.00 1.28 0.00 0.00 41.25 40.55 1it6 s ASN 278 CO -0.07 -0.56 0.78 0.00 -2.04 0.00 0.00 177.10 175.21 1it6 s ALA 279 N -2.59 3.98 0.28 3.54 0.00 -0.16 -0.49 121.76 126.33 1it6 s ALA 279 Ca 0.58 -1.46 0.10 0.00 0.00 0.00 0.00 51.96 51.18 1it6 s ALA 279 Cb -0.10 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1it6 s ALA 279 CO 0.31 -0.80 -0.05 0.20 0.00 0.00 0.00 175.76 175.42 1it6 s GLY 280 N -4.47 1.77 0.05 0.00 0.00 0.03 -2.94 107.32 101.76 1it6 s GLY 280 Ca 0.58 -1.76 -0.10 0.00 0.00 0.00 0.00 44.72 43.44 1it6 s GLY 280 CO 0.39 -1.81 0.22 0.00 0.00 0.00 0.00 173.10 171.90 1it6 s ALA 281 N -2.40 -0.43 -0.02 3.20 0.00 -0.73 -0.06 121.76 121.32 1it6 s ALA 281 Ca 0.32 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.04 1it6 s ALA 281 Cb -0.05 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1it6 s ALA 281 CO 0.19 -0.39 -0.04 1.41 0.00 0.00 0.00 175.76 176.92 1it6 s MET 282 N -2.71 0.58 -0.16 0.00 1.75 -0.59 -4.27 119.30 113.90 1it6 s MET 282 Ca -0.04 -0.12 -0.07 0.00 -1.25 0.00 0.00 55.69 54.21 1it6 s MET 282 Cb -0.00 -0.61 -0.04 0.00 2.84 0.00 0.00 34.83 37.02 1it6 s MET 282 CO -0.05 0.01 0.08 1.41 -0.65 0.00 0.00 175.02 175.82 1it6 s MET 283 N 0.45 3.73 -0.16 4.11 1.75 -0.69 -0.82 119.30 127.67 1it6 s MET 283 Ca -0.05 -0.29 -0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1it6 s MET 283 Cb -0.09 -3.17 -0.02 0.00 2.84 0.00 0.00 34.83 34.39 1it6 s MET 283 CO -0.00 0.46 -0.08 -1.12 -0.65 0.00 0.00 175.02 173.63 1it6 s SER 284 N -0.15 4.31 -0.20 1.11 0.01 0.70 -0.71 113.70 118.78 1it6 s SER 284 Ca 0.08 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 1it6 s SER 284 Cb -0.12 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1it6 s SER 284 CO 0.01 0.12 -0.12 -0.69 0.41 0.00 0.00 173.24 172.97 1it6 s VAL 285 N 0.62 2.75 0.22 3.43 1.01 -0.74 -1.48 120.40 126.21 1it6 s VAL 285 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1it6 s VAL 285 Cb -0.15 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.06 1it6 s VAL 285 CO 0.03 0.48 0.30 -0.90 0.00 0.00 0.00 175.10 175.00 1it6 n ASP 286 N 4.69 0.29 0.04 3.32 5.68 -1.11 -2.02 116.55 127.45 1it6 n ASP 286 Ca -0.19 -1.27 0.02 0.00 -0.50 0.00 0.00 54.79 52.84 1it6 n ASP 286 Cb 0.50 -0.20 0.37 0.00 -1.14 0.00 0.00 41.12 40.65 1it6 n ASP 286 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1it6 h GLU 287 N 0.00 0.45 -0.08 0.11 3.07 -1.91 -0.46 114.58 115.75 1it6 h GLU 287 Ca -0.10 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1it6 h GLU 287 Cb 0.33 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1it6 h GLU 287 CO 0.09 0.43 0.00 0.25 -1.40 0.00 0.00 179.01 178.39 1it6 n THR 288 N -4.35 0.10 -1.82 1.13 -2.24 -1.26 -4.89 114.28 100.95 1it6 n THR 288 Ca 0.01 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 1it6 n THR 288 Cb 0.19 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 1it6 n THR 288 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1it6 n LEU 289 N -0.30 -1.41 -4.80 3.22 4.77 -0.18 -4.99 117.00 113.31 1it6 n LEU 289 Ca 0.13 0.23 -0.38 0.00 -0.03 0.00 0.00 56.01 55.96 1it6 n LEU 289 Cb 0.16 -2.36 -0.06 0.00 -2.33 0.00 0.00 43.42 38.84 1it6 n LEU 289 CO 0.10 -0.56 0.40 -0.04 -1.33 0.00 0.00 177.39 175.96 1it6 s MET 290 N -3.97 4.36 0.09 3.23 -1.94 -1.26 -4.82 119.30 114.98 1it6 s MET 290 Ca 0.00 0.94 0.02 0.00 -1.71 0.00 0.00 55.69 54.94 1it6 s MET 290 Cb 0.00 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 1it6 s MET 290 CO 0.00 0.54 0.15 0.00 -0.01 0.00 0.00 175.02 175.70 1it6 s SER 292 N -2.57 0.02 -0.11 0.00 1.04 -0.55 -4.98 113.70 106.56 1it6 s SER 292 Ca 0.32 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.72 1it6 s SER 292 Cb -0.12 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1it6 s SER 292 CO 0.25 -0.09 -0.22 -0.36 0.98 0.00 0.00 173.24 173.80 1it6 s PHE 293 N -0.35 2.48 -0.20 5.02 0.08 -1.26 -0.21 117.98 123.54 1it6 s PHE 293 Ca -0.04 -1.08 -0.11 0.00 0.12 0.00 0.00 56.93 55.82 1it6 s PHE 293 Cb -0.03 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1it6 s PHE 293 CO -0.00 -0.46 0.19 -1.14 -0.10 0.00 0.00 175.22 173.70 1it6 s GLN 294 N 0.51 4.17 -0.17 0.44 2.00 0.00 -4.94 119.66 121.68 1it6 s GLN 294 Ca -0.15 -0.15 -0.09 0.00 -2.00 0.00 0.00 55.36 52.97 1it6 s GLN 294 Cb -0.17 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.13 1it6 s GLN 294 CO 0.05 0.20 0.13 0.42 -0.50 0.00 0.00 175.29 175.60 1it6 s ILE 295 N 0.63 5.44 -0.30 -2.34 -1.09 -1.26 -1.54 121.20 120.73 1it6 s ILE 295 Ca 0.10 0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.68 1it6 s ILE 295 Cb -0.12 -3.44 0.04 0.00 -1.58 0.00 0.00 42.46 37.35 1it6 s ILE 295 CO 0.01 0.50 0.03 -0.76 -1.23 0.00 0.00 174.94 173.50 1it6 s LEU 296 N -0.13 3.93 0.41 2.97 1.43 0.91 -4.97 118.68 123.23 1it6 s LEU 296 Ca 0.10 -1.11 -0.24 0.00 -1.03 0.00 0.00 54.13 51.85 1it6 s LEU 296 Cb -0.11 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 1it6 s LEU 296 CO 0.00 -0.26 1.07 -0.54 0.23 0.00 0.00 176.35 176.86 1it6 s LYS 297 N 1.34 4.09 0.22 1.70 3.01 -1.26 -0.79 119.74 128.05 1it6 s LYS 297 Ca -0.03 1.56 -0.31 0.00 -1.01 0.00 0.00 55.97 56.18 1it6 s LYS 297 Cb -0.19 -2.51 -0.11 0.00 -1.01 0.00 0.00 37.83 34.00 1it6 s LYS 297 CO 0.00 -0.21 1.65 -1.25 0.51 0.00 0.00 175.35 176.05 1it6 s PRO 298 N -2.54 4.15 0.00 -1.68 0.04 -1.26 -4.89 135.00 128.82 1it6 s PRO 298 Ca 0.59 2.54 0.26 0.00 0.04 0.00 0.00 61.00 64.43 1it6 s PRO 298 Cb -0.23 -3.08 0.59 0.00 0.04 0.00 0.00 34.50 31.82 1it6 s PRO 298 CO 0.29 -0.68 1.49 0.00 0.04 0.00 0.00 177.00 178.13