#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5x s LYS 4 N 0.00 4.40 0.85 5.56 2.20 -1.26 -5.03 119.74 126.46 1o5x s LYS 4 Ca 0.00 1.53 -0.10 0.00 -0.36 0.00 0.00 55.97 57.04 1o5x s LYS 4 Cb 0.00 -3.54 0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1o5x s LYS 4 CO 0.00 -0.36 1.13 0.71 -0.36 0.00 0.00 175.35 176.47 1o5x s TYR 5 N 2.01 2.02 -0.17 4.03 4.12 -1.26 -4.84 117.35 123.26 1o5x s TYR 5 Ca 0.52 1.70 -0.04 0.00 0.02 0.00 0.00 57.07 59.26 1o5x s TYR 5 Cb -0.22 -3.23 0.08 0.00 -1.52 0.00 0.00 41.96 37.08 1o5x s TYR 5 CO 0.21 -2.39 0.27 0.12 0.02 0.00 0.00 175.55 173.77 1o5x s PHE 6 N -2.74 -0.44 -0.20 2.71 5.36 -0.43 -1.28 117.98 120.96 1o5x s PHE 6 Ca 0.65 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 1o5x s PHE 6 Cb -0.21 -0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.36 1o5x s PHE 6 CO 0.57 -0.50 -0.16 0.08 -1.46 0.00 0.00 175.22 173.75 1o5x s VAL 7 N 2.41 2.30 -0.01 3.12 1.01 0.47 -1.77 120.40 127.93 1o5x s VAL 7 Ca 0.05 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1o5x s VAL 7 Cb -0.14 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1o5x s VAL 7 CO -0.11 0.45 -0.23 0.00 0.00 0.00 0.00 175.10 175.21 1o5x s ALA 8 N 1.30 1.92 -0.43 5.51 0.00 -0.10 -1.17 121.76 128.79 1o5x s ALA 8 Ca 0.04 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 1o5x s ALA 8 Cb -0.14 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.54 1o5x s ALA 8 CO -0.10 0.47 0.33 0.00 0.00 0.00 0.00 175.76 176.45 1o5x s ALA 9 N -0.56 3.49 -0.64 0.00 0.00 0.60 -0.43 121.76 124.22 1o5x s ALA 9 Ca 0.09 -1.88 -0.19 0.00 0.00 0.00 0.00 51.96 49.97 1o5x s ALA 9 Cb -0.09 -2.93 0.10 0.00 0.00 0.00 0.00 23.12 20.21 1o5x s ALA 9 CO -0.01 -1.56 0.79 1.21 0.00 0.00 0.00 175.76 176.19 1o5x s ASN 10 N 2.03 6.24 0.16 0.00 2.47 0.07 -0.78 114.94 125.13 1o5x s ASN 10 Ca 0.04 -1.46 0.19 0.00 0.42 0.00 0.00 52.86 52.06 1o5x s ASN 10 Cb -0.21 -2.33 0.83 0.00 -1.45 0.00 0.00 41.25 38.09 1o5x s ASN 10 CO 0.08 -1.15 1.60 0.79 -3.72 0.00 0.00 177.10 174.70 1o5x n TRP 11 N 6.51 0.49 -3.20 0.43 8.01 -1.05 -4.42 117.44 124.21 1o5x n TRP 11 Ca -0.05 0.19 0.00 0.00 -1.31 0.00 0.00 57.50 56.34 1o5x n TRP 11 Cb 0.44 -0.81 0.00 0.00 -2.01 0.00 0.00 31.31 28.92 1o5x n TRP 11 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1o5x n LYS 12 N -1.95 0.00 -2.93 -0.99 5.02 -1.26 -3.25 118.16 112.81 1o5x n LYS 12 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1o5x n LYS 12 Cb 0.19 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.21 1o5x n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1o5x s ASN 14 N -0.11 -0.22 0.00 0.00 0.01 -1.20 -5.14 114.94 108.29 1o5x s ASN 14 Ca 0.34 0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.74 1o5x s ASN 14 Cb 0.02 0.42 0.00 0.00 0.41 0.00 0.00 41.25 42.10 1o5x s ASN 14 CO 0.04 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 1o5x n GLY 15 N 1.88 4.16 3.50 0.66 0.00 -1.26 -4.74 105.19 109.39 1o5x n GLY 15 Ca -0.19 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 1o5x n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5x s THR 16 N -1.95 1.99 0.27 2.61 -4.23 -1.26 -5.01 115.64 108.07 1o5x s THR 16 Ca 0.00 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 58.32 1o5x s THR 16 Cb 0.00 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.52 1o5x s THR 16 CO 0.00 -0.22 1.90 -0.07 -0.54 0.00 0.00 174.62 175.69 1o5x h LEU 17 N 2.11 1.05 -0.39 4.79 3.38 -2.00 -0.64 115.31 123.60 1o5x h LEU 17 Ca -0.41 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1o5x h LEU 17 Cb 1.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1o5x h LEU 17 CO 0.70 0.70 -0.16 -0.08 0.09 0.00 0.00 178.44 179.68 1o5x h GLU 18 N 1.20 0.80 -0.27 1.13 4.81 -1.99 -0.97 114.58 119.29 1o5x h GLU 18 Ca 0.40 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1o5x h GLU 18 Cb 0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1o5x h GLU 18 CO -0.14 0.96 -0.29 0.66 -0.73 0.00 0.00 179.01 179.47 1o5x h SER 19 N 0.60 0.55 -0.07 1.04 4.64 -1.83 -2.08 113.55 116.41 1o5x h SER 19 Ca 0.09 -0.21 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 1o5x h SER 19 Cb 0.70 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1o5x h SER 19 CO 0.05 0.82 -0.54 0.40 -0.87 0.00 0.00 176.83 176.69 1o5x h ILE 20 N 0.47 1.31 -0.52 0.95 2.04 -1.00 -0.94 117.51 119.82 1o5x h ILE 20 Ca 0.06 -1.77 0.04 0.00 1.00 0.00 0.00 64.86 64.19 1o5x h ILE 20 Cb 0.75 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 1o5x h ILE 20 CO 0.06 0.56 0.29 0.11 0.00 0.00 0.00 178.15 179.16 1o5x h LYS 21 N 0.51 0.54 -0.55 2.37 1.57 -0.74 -0.19 116.57 120.07 1o5x h LYS 21 Ca 0.01 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1o5x h LYS 21 Cb 1.10 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1o5x h LYS 21 CO 0.11 0.36 -0.02 1.03 -0.57 0.00 0.00 179.45 180.36 1o5x h SER 22 N 0.56 0.98 -0.15 0.86 0.87 -1.14 -2.39 113.55 113.14 1o5x h SER 22 Ca 0.22 -0.32 -0.12 0.00 -1.23 0.00 0.00 61.79 60.34 1o5x h SER 22 Cb 0.08 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1o5x h SER 22 CO -0.13 1.06 -0.37 0.25 -0.53 0.00 0.00 176.83 177.11 1o5x h LEU 23 N 0.87 0.58 -1.16 2.23 5.85 -0.96 -2.21 115.31 120.51 1o5x h LEU 23 Ca 0.15 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 1o5x h LEU 23 Cb 0.57 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1o5x h LEU 23 CO 0.03 1.06 0.16 0.71 -0.34 0.00 0.00 178.44 180.06 1o5x h THR 24 N 0.14 1.20 -0.69 1.05 1.35 -1.07 -0.94 112.91 113.96 1o5x h THR 24 Ca -0.00 -0.68 -0.02 0.00 -0.55 0.00 0.00 66.41 65.15 1o5x h THR 24 Cb 0.98 0.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 1o5x h THR 24 CO 0.08 0.26 0.36 -1.13 -0.25 0.00 0.00 175.52 174.84 1o5x h ASN 25 N 0.74 0.87 -0.29 5.36 -1.24 -1.27 -0.18 115.58 119.58 1o5x h ASN 25 Ca 0.17 -0.11 -0.08 0.00 0.71 0.00 0.00 56.30 57.00 1o5x h ASN 25 Cb 0.21 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1o5x h ASN 25 CO -0.01 0.73 -0.07 0.77 -1.29 0.00 0.00 177.43 177.56 1o5x h SER 26 N 0.95 0.65 -0.46 1.15 4.64 -0.75 -2.79 113.55 116.94 1o5x h SER 26 Ca 0.24 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 1o5x h SER 26 Cb 0.07 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1o5x h SER 26 CO -0.04 0.77 -0.09 -0.26 -0.87 0.00 0.00 176.83 176.34 1o5x h PHE 27 N 0.62 0.99 0.00 4.77 -1.00 -0.67 -2.58 116.94 119.07 1o5x h PHE 27 Ca 0.12 -0.21 -0.00 0.00 2.81 0.00 0.00 57.97 60.69 1o5x h PHE 27 Cb 0.49 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 1o5x h PHE 27 CO 0.02 0.96 -0.01 -0.91 -1.61 0.00 0.00 178.31 176.77 1o5x h ASN 28 N 0.72 0.00 0.73 2.17 2.35 -0.79 -1.08 115.58 119.68 1o5x h ASN 28 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1o5x h ASN 28 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1o5x h ASN 28 CO 0.04 0.01 0.00 0.78 -1.65 0.00 0.00 177.43 176.61 1o5x h ASN 29 N 0.00 0.00 -3.21 5.81 2.35 -1.21 -3.42 115.58 115.89 1o5x h ASN 29 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1o5x h ASN 29 Cb 0.03 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1o5x h ASN 29 CO 0.00 0.00 0.60 -0.22 -1.65 0.00 0.00 177.43 176.16 1o5x s LEU 30 N -4.79 4.18 -0.23 1.61 2.96 -0.41 -5.00 118.68 117.01 1o5x s LEU 30 Ca 0.03 1.40 -0.24 0.00 -0.22 0.00 0.00 54.13 55.10 1o5x s LEU 30 Cb 0.09 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.29 1o5x s LEU 30 CO 0.41 -0.51 0.79 -0.62 -1.32 0.00 0.00 176.35 175.10 1o5x s ASP 31 N 1.15 6.81 0.17 3.68 2.15 -1.26 -5.03 116.67 124.35 1o5x s ASP 31 Ca 0.45 1.01 -0.10 0.00 0.43 0.00 0.00 52.55 54.34 1o5x s ASP 31 Cb -0.17 -2.42 -0.01 0.00 -0.30 0.00 0.00 42.92 40.02 1o5x s ASP 31 CO 0.13 -0.46 0.31 0.72 -0.17 0.00 0.00 175.17 175.70 1o5x s PHE 32 N 2.61 0.38 -0.37 -5.34 -0.12 -1.26 -5.12 117.98 108.76 1o5x s PHE 32 Ca 0.34 -0.73 -0.07 0.00 -0.05 0.00 0.00 56.93 56.41 1o5x s PHE 32 Cb -0.16 -0.02 0.05 0.00 -0.63 0.00 0.00 43.02 42.27 1o5x s PHE 32 CO 0.09 -0.75 0.17 0.34 -0.05 0.00 0.00 175.22 175.01 1o5x s ASP 33 N -2.97 5.45 0.00 1.98 -1.08 -1.26 -4.96 116.67 113.83 1o5x s ASP 33 Ca 0.17 -1.29 0.16 0.00 -0.52 0.00 0.00 52.55 51.07 1o5x s ASP 33 Cb 0.03 -1.92 0.76 0.00 -1.46 0.00 0.00 42.92 40.33 1o5x s ASP 33 CO 0.01 -0.41 1.48 -0.81 0.52 0.00 0.00 175.17 175.96 1o5x n PRO 34 N 4.85 0.14 0.10 4.34 -0.04 -1.26 -1.01 135.00 142.11 1o5x n PRO 34 Ca -0.11 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1o5x n PRO 34 Cb 0.44 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.84 1o5x n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1o5x n SER 35 N -1.37 0.71 -0.04 3.54 3.41 -1.26 -3.77 113.62 114.84 1o5x n SER 35 Ca 0.06 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1o5x n SER 35 Cb 0.15 -0.77 -0.11 0.00 -0.26 0.00 0.00 64.21 63.23 1o5x n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1o5x n LYS 36 N -2.18 1.13 -3.78 4.33 4.76 -0.18 -5.01 118.16 117.23 1o5x n LYS 36 Ca 0.05 -0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 1o5x n LYS 36 Cb 0.39 -1.34 -0.13 0.00 -1.84 0.00 0.00 35.03 32.11 1o5x n LYS 36 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1o5x s LEU 37 N -4.49 0.97 -0.09 -0.35 2.96 -1.03 -4.37 118.68 112.29 1o5x s LEU 37 Ca -0.06 0.39 -0.18 0.00 -0.22 0.00 0.00 54.13 54.06 1o5x s LEU 37 Cb 0.07 0.59 -0.05 0.00 0.50 0.00 0.00 46.19 47.30 1o5x s LEU 37 CO 0.57 -0.11 0.47 -1.81 -1.32 0.00 0.00 176.35 174.16 1o5x s ASP 38 N 0.61 6.73 -0.10 3.68 1.01 -0.40 -4.25 116.67 123.94 1o5x s ASP 38 Ca -0.04 0.86 -0.00 0.00 0.71 0.00 0.00 52.55 54.08 1o5x s ASP 38 Cb -0.06 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.61 1o5x s ASP 38 CO -0.03 0.07 -0.07 -0.69 0.21 0.00 0.00 175.17 174.65 1o5x s VAL 39 N 0.27 0.94 -0.06 -1.27 1.01 -1.26 -0.40 120.40 119.63 1o5x s VAL 39 Ca 0.26 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1o5x s VAL 39 Cb -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1o5x s VAL 39 CO 0.11 0.35 -0.18 -0.69 0.00 0.00 0.00 175.10 174.69 1o5x s VAL 40 N 1.62 1.53 -0.15 2.92 1.01 -0.32 -0.67 120.40 126.34 1o5x s VAL 40 Ca 0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1o5x s VAL 40 Cb -0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1o5x s VAL 40 CO -0.06 0.44 -0.04 -0.69 0.00 0.00 0.00 175.10 174.75 1o5x s VAL 41 N 0.27 3.92 -0.59 2.92 1.01 -0.03 -0.29 120.40 127.61 1o5x s VAL 41 Ca -0.10 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1o5x s VAL 41 Cb -0.14 -2.71 0.15 0.00 0.00 0.00 0.00 36.38 33.68 1o5x s VAL 41 CO 0.04 0.50 0.36 -0.36 0.00 0.00 0.00 175.10 175.65 1o5x s PHE 42 N 0.23 3.32 0.77 5.22 0.40 0.04 -1.53 117.98 126.44 1o5x s PHE 42 Ca -0.02 -3.11 -0.11 0.00 -0.60 0.00 0.00 56.93 53.08 1o5x s PHE 42 Cb -0.14 -2.90 0.06 0.00 0.51 0.00 0.00 43.02 40.55 1o5x s PHE 42 CO 0.03 -0.73 1.14 -1.25 0.70 0.00 0.00 175.22 175.11 1o5x s PRO 43 N -0.50 2.26 0.57 0.24 0.04 -1.25 -2.54 135.00 133.82 1o5x s PRO 43 Ca 0.19 0.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.22 1o5x s PRO 43 Cb -0.20 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1o5x s PRO 43 CO -0.04 -1.39 1.16 0.28 0.04 0.00 0.00 177.00 177.05 1o5x n VAL 44 N -3.19 3.78 -0.20 -0.36 0.31 -1.26 -4.38 118.33 113.03 1o5x n VAL 44 Ca 0.08 -0.50 0.01 0.00 -0.01 0.00 0.00 64.34 63.91 1o5x n VAL 44 Cb 0.60 -1.39 0.10 0.00 -0.91 0.00 0.00 33.84 32.23 1o5x n VAL 44 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1o5x h SER 45 N 0.97 -0.29 0.50 4.52 4.64 -1.95 0.93 113.55 122.87 1o5x h SER 45 Ca -0.49 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1o5x h SER 45 Cb 1.34 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1o5x h SER 45 CO 0.54 -0.12 0.00 1.33 -0.87 0.00 0.00 176.83 177.71 1o5x n VAL 46 N -5.28 0.21 1.07 0.95 0.24 -1.26 -1.70 118.33 112.56 1o5x n VAL 46 Ca 0.09 0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.56 1o5x n VAL 46 Cb 0.35 -0.64 0.12 0.00 -1.47 0.00 0.00 33.84 32.20 1o5x n VAL 46 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1o5x n HIS 47 N -1.30 0.00 0.06 6.34 -0.00 0.27 -4.64 115.22 115.95 1o5x n HIS 47 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.71 1o5x n HIS 47 Cb 0.21 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.99 30.10 1o5x n HIS 47 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1o5x h TYR 48 N 2.92 -0.07 -0.48 4.41 3.20 -0.74 -0.80 116.97 125.41 1o5x h TYR 48 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1o5x h TYR 48 Cb 0.77 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1o5x h TYR 48 CO 0.00 0.00 0.30 0.22 -1.64 0.00 0.00 178.16 177.04 1o5x h ASP 49 N -0.12 0.50 -0.57 -2.11 -0.00 -1.82 0.88 116.42 113.18 1o5x h ASP 49 Ca -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.02 1o5x h ASP 49 Cb 0.10 -0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 39.29 1o5x h ASP 49 CO 0.01 0.36 0.35 0.45 -0.00 0.00 0.00 179.24 180.41 1o5x h HIS 50 N 0.60 0.74 -0.33 0.28 3.86 -1.83 -1.98 115.15 116.50 1o5x h HIS 50 Ca 0.18 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1o5x h HIS 50 Cb -0.02 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 1o5x h HIS 50 CO -0.06 0.50 0.03 1.15 0.86 0.00 0.00 177.93 180.42 1o5x h THR 51 N 0.77 1.25 -0.17 2.45 2.02 -0.71 -1.91 112.91 116.61 1o5x h THR 51 Ca 0.21 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 1o5x h THR 51 Cb -0.03 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1o5x h THR 51 CO -0.04 0.29 -0.27 -0.09 0.37 0.00 0.00 175.52 175.78 1o5x h ARG 52 N 0.37 0.31 0.00 6.66 9.65 -0.72 -1.02 114.38 129.64 1o5x h ARG 52 Ca 0.10 -0.11 -0.12 0.00 -1.10 0.00 0.00 59.98 58.75 1o5x h ARG 52 Cb 0.39 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1o5x h ARG 52 CO 0.01 0.56 -0.56 0.87 2.80 0.00 0.00 179.97 183.66 1o5x h LYS 53 N 0.28 0.00 0.00 0.20 1.57 -1.17 -3.20 116.57 114.25 1o5x h LYS 53 Ca 0.04 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 1o5x h LYS 53 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1o5x h LYS 53 CO 0.05 0.56 -1.10 -0.07 -0.57 0.00 0.00 179.45 178.31 1o5x h LEU 54 N 0.00 0.00 -9.51 2.94 3.38 -0.81 -3.46 115.31 107.85 1o5x h LEU 54 Ca -0.01 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1o5x h LEU 54 Cb 1.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1o5x h LEU 54 CO 0.07 0.68 -0.02 -0.76 0.09 0.00 0.00 178.44 178.50 1o5x s LEU 55 N -6.18 4.41 0.82 1.67 1.43 -0.44 -4.81 118.68 115.58 1o5x s LEU 55 Ca -0.00 1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 54.11 1o5x s LEU 55 Cb 0.08 -2.91 0.09 0.00 0.03 0.00 0.00 46.19 43.49 1o5x s LEU 55 CO 0.79 0.09 1.18 -1.10 0.23 0.00 0.00 176.35 177.55 1o5x s GLN 56 N -0.13 1.56 0.42 1.70 -0.21 -1.26 -4.89 119.66 116.85 1o5x s GLN 56 Ca 0.31 1.67 0.30 0.00 0.02 0.00 0.00 55.36 57.65 1o5x s GLN 56 Cb -0.18 -1.78 1.39 0.00 1.00 0.00 0.00 33.01 33.45 1o5x s GLN 56 CO 0.17 -2.25 1.89 0.66 -2.12 0.00 0.00 175.29 173.63 1o5x h SER 57 N -1.10 0.00 -0.42 5.90 4.64 -1.97 -1.10 113.55 119.51 1o5x h SER 57 Ca -0.45 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.98 1o5x h SER 57 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1o5x h SER 57 CO 0.46 0.00 0.30 0.07 -0.87 0.00 0.00 176.83 176.78 1o5x h LYS 58 N 0.00 0.02 -6.07 4.77 2.10 -1.97 -3.36 116.57 112.07 1o5x h LYS 58 Ca 0.00 -0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 1o5x h LYS 58 Cb 0.25 -0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.52 1o5x h LYS 58 CO 0.00 0.01 0.42 -0.06 -2.00 0.00 0.00 179.45 177.83 1o5x s PHE 59 N -5.05 3.47 0.62 0.07 0.40 -0.42 -4.58 117.98 112.49 1o5x s PHE 59 Ca -0.05 1.38 -0.09 0.00 -0.60 0.00 0.00 56.93 57.57 1o5x s PHE 59 Cb 0.19 -3.06 -0.00 0.00 0.51 0.00 0.00 43.02 40.66 1o5x s PHE 59 CO 0.72 -0.20 0.97 -1.12 0.70 0.00 0.00 175.22 176.29 1o5x s SER 60 N 1.10 5.76 0.08 1.36 0.01 0.16 -4.87 113.70 117.30 1o5x s SER 60 Ca 0.42 1.01 0.01 0.00 1.31 0.00 0.00 55.95 58.70 1o5x s SER 60 Cb -0.17 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 1o5x s SER 60 CO 0.15 -1.05 -0.06 0.42 0.41 0.00 0.00 173.24 173.11 1o5x s THR 61 N -3.11 0.59 0.25 1.44 -4.23 -1.26 -0.85 115.64 108.47 1o5x s THR 61 Ca 0.55 -1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.18 1o5x s THR 61 Cb -0.11 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.27 1o5x s THR 61 CO 0.49 -0.82 0.49 0.61 -0.54 0.00 0.00 174.62 174.84 1o5x n GLY 62 N 0.20 1.44 3.49 3.99 0.00 -0.58 -2.55 105.19 111.18 1o5x n GLY 62 Ca -0.14 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 1o5x n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1o5x s ILE 63 N -2.45 2.58 -1.73 -0.61 -4.36 -0.48 -3.84 121.20 110.30 1o5x s ILE 63 Ca 0.11 -2.34 0.29 0.00 -0.26 0.00 0.00 60.65 58.45 1o5x s ILE 63 Cb -0.03 -2.35 0.48 0.00 1.25 0.00 0.00 42.46 41.82 1o5x s ILE 63 CO 0.08 -0.38 1.86 0.00 0.24 0.00 0.00 174.94 176.74 1o5x n GLN 64 N -0.60 0.78 -3.56 0.37 6.02 -1.26 -0.96 117.38 118.17 1o5x n GLN 64 Ca -0.06 -0.28 -0.08 0.00 -0.01 0.00 0.00 57.00 56.58 1o5x n GLN 64 Cb 0.60 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.34 1o5x n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1o5x s ASN 65 N -2.41 -0.36 0.05 1.08 2.47 -1.21 -4.39 114.94 110.18 1o5x s ASN 65 Ca 0.31 -0.12 -0.12 0.00 0.42 0.00 0.00 52.86 53.34 1o5x s ASN 65 Cb 0.20 0.46 0.01 0.00 -1.45 0.00 0.00 41.25 40.48 1o5x s ASN 65 CO 0.46 -0.79 0.27 0.54 -3.72 0.00 0.00 177.10 173.86 1o5x s VAL 66 N -3.31 0.10 0.53 -5.21 0.11 -1.26 -4.79 120.40 106.57 1o5x s VAL 66 Ca 0.06 -0.79 -0.19 0.00 -2.93 0.00 0.00 61.98 58.13 1o5x s VAL 66 Cb -0.01 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.77 1o5x s VAL 66 CO -0.06 -0.44 1.08 -0.55 -3.33 0.00 0.00 175.10 171.80 1o5x s SER 67 N -2.22 5.97 0.00 3.54 0.15 0.17 -4.92 113.70 116.38 1o5x s SER 67 Ca -0.03 2.00 0.29 0.00 0.70 0.00 0.00 55.95 58.91 1o5x s SER 67 Cb 0.00 -2.56 1.24 0.00 -1.71 0.00 0.00 66.02 62.99 1o5x s SER 67 CO -0.05 -1.04 1.93 2.29 1.20 0.00 0.00 173.24 177.56 1o5x n LYS 68 N -1.34 0.01 -4.15 5.44 2.85 -1.26 -4.62 118.16 115.09 1o5x n LYS 68 Ca 0.10 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.13 1o5x n LYS 68 Cb 0.52 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.35 1o5x n LYS 68 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1o5x s PHE 69 N -2.99 3.03 0.00 5.58 0.08 -1.26 -4.67 117.98 117.74 1o5x s PHE 69 Ca 0.14 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1o5x s PHE 69 Cb 0.19 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 1o5x s PHE 69 CO 0.53 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.60 1o5x n GLY 70 N -0.91 -0.06 3.74 4.36 0.00 -1.26 -4.58 105.19 106.49 1o5x n GLY 70 Ca -0.08 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 1o5x n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1o5x s ASN 71 N -1.00 4.99 0.00 1.61 0.01 -1.26 -4.83 114.94 114.47 1o5x s ASN 71 Ca 0.00 2.51 0.00 0.00 -0.71 0.00 0.00 52.86 54.66 1o5x s ASN 71 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1o5x s ASN 71 CO 0.00 -1.74 0.00 0.61 -1.51 0.00 0.00 177.10 174.46 1o5x n GLY 72 N 0.68 0.76 2.93 0.66 0.00 -1.26 -4.98 105.19 103.98 1o5x n GLY 72 Ca 0.14 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1o5x n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1o5x n SER 73 N 0.00 4.64 -3.35 1.61 7.64 -1.26 -4.69 113.62 118.21 1o5x n SER 73 Ca 0.00 -2.98 -0.26 0.00 1.01 0.00 0.00 58.87 56.64 1o5x n SER 73 Cb 0.00 -1.58 -0.08 0.00 -1.01 0.00 0.00 64.21 61.54 1o5x n SER 73 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1o5x n TYR 74 N 5.26 1.19 -1.63 1.43 4.02 -1.26 -5.10 117.16 121.06 1o5x n TYR 74 Ca 0.45 -3.79 -0.48 0.00 -0.01 0.00 0.00 57.90 54.06 1o5x n TYR 74 Cb 0.39 -0.37 -0.05 0.00 -0.02 0.00 0.00 39.34 39.29 1o5x n TYR 74 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1o5x n THR 75 N 1.44 0.15 -0.14 -0.72 -1.04 -1.26 -1.52 114.28 111.18 1o5x n THR 75 Ca 0.25 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1o5x n THR 75 Cb 0.47 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 1o5x n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1o5x n GLY 76 N 2.84 1.56 3.94 3.41 0.00 -1.26 -5.05 105.19 110.63 1o5x n GLY 76 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1o5x n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o5x s GLU 77 N -0.40 3.47 -0.26 1.61 0.41 -0.57 -5.10 118.70 117.86 1o5x s GLU 77 Ca 0.00 -0.51 -0.02 0.00 -0.41 0.00 0.00 54.97 54.03 1o5x s GLU 77 Cb 0.00 -2.89 0.03 0.00 -1.78 0.00 0.00 34.13 29.49 1o5x s GLU 77 CO 0.00 0.44 -0.03 0.08 -0.49 0.00 0.00 175.26 175.26 1o5x s VAL 78 N -1.86 3.05 0.64 2.63 1.01 -1.26 -5.00 120.40 119.62 1o5x s VAL 78 Ca 0.36 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1o5x s VAL 78 Cb -0.11 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1o5x s VAL 78 CO 0.29 0.14 1.04 -0.94 0.00 0.00 0.00 175.10 175.63 1o5x s SER 79 N 1.34 5.93 0.34 3.32 1.04 -1.26 -0.66 113.70 123.75 1o5x s SER 79 Ca -0.00 1.50 0.04 0.00 0.48 0.00 0.00 55.95 57.97 1o5x s SER 79 Cb -0.17 -2.48 0.61 0.00 0.10 0.00 0.00 66.02 64.08 1o5x s SER 79 CO -0.03 -1.07 1.91 0.00 0.98 0.00 0.00 173.24 175.03 1o5x h ALA 80 N -0.41 1.41 -0.55 5.32 0.00 -1.82 -0.92 119.26 122.30 1o5x h ALA 80 Ca -0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1o5x h ALA 80 Cb 1.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1o5x h ALA 80 CO 0.60 0.43 0.32 1.49 0.00 0.00 0.00 179.25 182.09 1o5x h GLU 81 N 0.59 0.75 -0.57 0.00 4.81 -1.92 0.44 114.58 118.68 1o5x h GLU 81 Ca 0.14 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1o5x h GLU 81 Cb 0.23 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1o5x h GLU 81 CO -0.00 0.56 0.15 0.82 -0.73 0.00 0.00 179.01 179.80 1o5x h ILE 82 N 0.74 1.25 -0.74 2.32 2.04 -1.82 -1.94 117.51 119.36 1o5x h ILE 82 Ca 0.20 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1o5x h ILE 82 Cb 0.01 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1o5x h ILE 82 CO -0.04 0.32 0.46 0.00 0.00 0.00 0.00 178.15 178.89 1o5x h ALA 83 N 1.03 0.98 -0.58 1.87 0.00 -0.80 -2.44 119.26 119.31 1o5x h ALA 83 Ca 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1o5x h ALA 83 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1o5x h ALA 83 CO 0.00 0.22 0.11 -0.22 0.00 0.00 0.00 179.25 179.36 1o5x h LYS 84 N 0.87 0.95 0.00 0.00 1.63 -0.59 -1.44 116.57 117.99 1o5x h LYS 84 Ca 0.31 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1o5x h LYS 84 Cb 0.07 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1o5x h LYS 84 CO -0.13 0.89 -0.08 0.22 -3.45 0.00 0.00 179.45 176.91 1o5x h ASP 85 N 0.85 0.00 -0.08 4.20 1.82 -1.00 0.47 116.42 122.69 1o5x h ASP 85 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1o5x h ASP 85 Cb 0.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1o5x h ASP 85 CO 0.01 0.08 0.00 0.18 -1.61 0.00 0.00 179.24 177.90 1o5x n LEU 86 N -4.01 1.19 -2.45 2.28 4.77 -0.87 -4.93 117.00 112.98 1o5x n LEU 86 Ca -0.03 -0.46 -0.20 0.00 -0.03 0.00 0.00 56.01 55.29 1o5x n LEU 86 Cb 0.17 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1o5x n LEU 86 CO 0.31 0.23 -0.24 0.59 -1.33 0.00 0.00 177.39 176.95 1o5x n ASN 87 N -0.02 -5.80 -4.72 -1.43 3.02 0.16 -4.96 115.26 101.50 1o5x n ASN 87 Ca 0.17 -0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 1o5x n ASN 87 Cb 0.27 -4.82 -0.03 0.00 -0.61 0.00 0.00 39.78 34.59 1o5x n ASN 87 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1o5x s ILE 88 N -3.02 3.44 -0.10 2.41 1.01 -0.60 -4.93 121.20 119.41 1o5x s ILE 88 Ca 0.02 1.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 1o5x s ILE 88 Cb -0.01 -3.67 -0.26 0.00 0.01 0.00 0.00 42.46 38.53 1o5x s ILE 88 CO 0.03 0.09 0.45 -0.08 0.00 0.00 0.00 174.94 175.42 1o5x h GLU 89 N 6.72 0.25 -5.85 2.79 4.81 -1.82 -3.42 114.58 118.07 1o5x h GLU 89 Ca -0.42 -0.44 -0.50 0.00 -0.13 0.00 0.00 59.36 57.87 1o5x h GLU 89 Cb 1.21 0.16 -0.20 0.00 0.63 0.00 0.00 28.75 30.56 1o5x h GLU 89 CO 0.85 1.15 -0.79 0.71 -0.73 0.00 0.00 179.01 180.20 1o5x s TYR 90 N -2.57 1.67 0.03 0.92 1.51 -1.13 -1.21 117.35 116.57 1o5x s TYR 90 Ca -0.19 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.45 1o5x s TYR 90 Cb 0.07 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1o5x s TYR 90 CO 0.79 0.23 -0.14 0.14 -1.11 0.00 0.00 175.55 175.45 1o5x s VAL 91 N -1.71 1.15 -0.06 0.71 -7.23 -0.39 -1.39 120.40 111.47 1o5x s VAL 91 Ca 0.10 -0.95 -0.15 0.00 -1.81 0.00 0.00 61.98 59.17 1o5x s VAL 91 Cb -0.07 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.79 1o5x s VAL 91 CO 0.05 0.07 0.39 -0.63 -0.31 0.00 0.00 175.10 174.67 1o5x s ILE 92 N -0.76 5.13 -0.03 -0.62 1.01 -0.13 -0.29 121.20 125.50 1o5x s ILE 92 Ca 0.03 0.79 0.03 0.00 0.00 0.00 0.00 60.65 61.50 1o5x s ILE 92 Cb -0.07 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1o5x s ILE 92 CO 0.01 0.49 -0.11 -0.63 0.00 0.00 0.00 174.94 174.70 1o5x s ILE 93 N -0.41 0.95 0.00 2.92 1.01 0.18 -3.36 121.20 122.48 1o5x s ILE 93 Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1o5x s ILE 93 Cb -0.15 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1o5x s ILE 93 CO 0.11 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1o5x n GLY 94 N 3.22 0.47 3.63 6.18 0.00 -1.26 -0.91 105.19 116.52 1o5x n GLY 94 Ca -0.18 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1o5x n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1o5x n HIS 95 N -2.96 1.59 0.15 1.61 -0.00 -1.26 -4.46 115.22 109.89 1o5x n HIS 95 Ca 0.00 0.64 0.15 0.00 0.46 0.00 0.00 57.72 58.97 1o5x n HIS 95 Cb 0.00 -2.30 0.71 0.00 -0.12 0.00 0.00 29.99 28.28 1o5x n HIS 95 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1o5x h PHE 96 N 2.12 0.00 -0.13 1.57 -5.15 -1.94 0.06 116.94 113.47 1o5x h PHE 96 Ca -0.42 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.27 1o5x h PHE 96 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.48 1o5x h PHE 96 CO 0.48 0.00 -0.26 0.93 -2.00 0.00 0.00 178.31 177.46 1o5x h GLU 97 N 0.00 0.23 0.04 6.09 5.08 -1.98 0.22 114.58 124.25 1o5x h GLU 97 Ca 0.12 -0.08 -0.25 0.00 -1.00 0.00 0.00 59.36 58.16 1o5x h GLU 97 Cb 0.51 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1o5x h GLU 97 CO -0.00 0.48 -1.05 0.00 -1.00 0.00 0.00 179.01 177.44 1o5x h ARG 98 N 0.21 0.45 -0.67 2.33 3.08 -1.34 0.24 114.38 118.69 1o5x h ARG 98 Ca 0.03 -0.54 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 1o5x h ARG 98 Cb 0.57 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 1o5x h ARG 98 CO 0.04 1.19 0.30 0.00 -1.07 0.00 0.00 179.97 180.43 1o5x h ARG 99 N 0.23 0.96 0.09 0.04 3.08 -1.10 -1.91 114.38 115.77 1o5x h ARG 99 Ca -0.11 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1o5x h ARG 99 Cb 1.70 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1o5x h ARG 99 CO 0.19 0.76 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.59 1o5x h LYS 100 N 0.95 -0.11 0.00 0.04 3.64 -0.51 -3.00 116.57 117.59 1o5x h LYS 100 Ca 0.23 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1o5x h LYS 100 Cb 0.14 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1o5x h LYS 100 CO -0.03 -0.07 -0.58 1.88 -2.27 0.00 0.00 179.45 178.38 1o5x h TYR 101 N -0.67 0.00 -0.18 1.91 -1.99 -1.06 -3.31 116.97 111.66 1o5x h TYR 101 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1o5x h TYR 101 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1o5x h TYR 101 CO 0.01 0.51 0.00 1.19 -0.00 0.00 0.00 178.16 179.87 1o5x n PHE 102 N -3.19 0.24 -2.77 4.88 3.01 -0.77 -5.00 117.46 113.87 1o5x n PHE 102 Ca 0.01 -0.50 -0.20 0.00 1.01 0.00 0.00 57.45 57.77 1o5x n PHE 102 Cb 0.74 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 40.18 1o5x n PHE 102 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1o5x n HIS 103 N 0.02 -1.54 -2.03 1.38 8.25 -0.99 -4.91 115.22 115.39 1o5x n HIS 103 Ca 0.06 0.25 -0.41 0.00 -0.26 0.00 0.00 57.72 57.36 1o5x n HIS 103 Cb 0.34 -3.80 -0.02 0.00 1.12 0.00 0.00 29.99 27.63 1o5x n HIS 103 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1o5x s GLU 104 N -5.42 4.28 0.41 -0.41 2.12 -0.90 -4.96 118.70 113.82 1o5x s GLU 104 Ca 0.17 2.28 0.08 0.00 0.36 0.00 0.00 54.97 57.85 1o5x s GLU 104 Cb -0.08 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 1o5x s GLU 104 CO 0.20 -0.39 0.39 0.95 -0.54 0.00 0.00 175.26 175.87 1o5x s THR 105 N -0.08 2.83 0.29 -1.70 -4.23 -1.26 -4.42 115.64 107.07 1o5x s THR 105 Ca 0.58 -1.30 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1o5x s THR 105 Cb -0.41 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 70.68 1o5x s THR 105 CO 0.44 -0.02 1.79 0.44 -0.54 0.00 0.00 174.62 176.72 1o5x h ASP 106 N 1.01 0.78 -0.34 3.99 3.32 -1.97 -0.67 116.42 122.55 1o5x h ASP 106 Ca -0.42 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 1o5x h ASP 106 Cb 1.27 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1o5x h ASP 106 CO 0.56 0.34 -0.14 -0.08 -1.72 0.00 0.00 179.24 178.19 1o5x h GLU 107 N 0.81 0.79 -0.62 3.56 4.57 -1.95 -0.76 114.58 120.99 1o5x h GLU 107 Ca 0.53 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1o5x h GLU 107 Cb 0.71 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1o5x h GLU 107 CO -0.34 0.89 0.40 -0.44 -1.18 0.00 0.00 179.01 178.34 1o5x h ASP 108 N 0.71 0.73 -0.35 1.04 3.32 -1.63 -0.71 116.42 119.53 1o5x h ASP 108 Ca 0.11 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1o5x h ASP 108 Cb 0.64 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1o5x h ASP 108 CO 0.04 0.54 0.20 0.58 -1.72 0.00 0.00 179.24 178.88 1o5x h VAL 109 N 0.84 1.02 -0.29 -1.35 2.07 -0.80 0.76 116.25 118.50 1o5x h VAL 109 Ca 0.23 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1o5x h VAL 109 Cb -0.07 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1o5x h VAL 109 CO -0.05 0.07 0.09 -0.09 0.02 0.00 0.00 177.57 177.61 1o5x h ARG 110 N 0.40 0.20 -0.62 1.57 2.43 -0.84 -0.25 114.38 117.28 1o5x h ARG 110 Ca 0.14 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1o5x h ARG 110 Cb 0.02 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1o5x h ARG 110 CO -0.07 0.13 0.11 0.93 -1.51 0.00 0.00 179.97 179.56 1o5x h GLU 111 N 0.21 1.00 -0.69 0.20 5.08 -0.72 0.10 114.58 119.75 1o5x h GLU 111 Ca 0.13 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1o5x h GLU 111 Cb 0.11 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1o5x h GLU 111 CO -0.15 0.91 0.15 0.87 -1.00 0.00 0.00 179.01 179.79 1o5x h LYS 112 N 0.94 1.12 -0.44 2.33 1.57 -0.64 -1.23 116.57 120.23 1o5x h LYS 112 Ca 0.19 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1o5x h LYS 112 Cb 0.39 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1o5x h LYS 112 CO 0.01 1.00 0.03 1.25 -0.57 0.00 0.00 179.45 181.17 1o5x h LEU 113 N 1.06 0.74 -0.57 2.94 5.85 -0.55 -0.57 115.31 124.21 1o5x h LEU 113 Ca 0.22 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1o5x h LEU 113 Cb 0.40 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1o5x h LEU 113 CO 0.01 0.85 0.36 -0.61 -0.34 0.00 0.00 178.44 178.70 1o5x h GLN 114 N 0.61 0.77 -0.65 1.25 4.15 -0.63 0.14 115.11 120.75 1o5x h GLN 114 Ca 0.13 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1o5x h GLN 114 Cb 0.45 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1o5x h GLN 114 CO 0.02 0.53 0.17 0.00 -1.93 0.00 0.00 178.83 177.62 1o5x h ALA 115 N 1.19 0.86 -0.00 3.38 0.00 -1.06 -1.11 119.26 122.51 1o5x h ALA 115 Ca 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1o5x h ALA 115 Cb -0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1o5x h ALA 115 CO -0.04 0.56 0.00 0.77 0.00 0.00 0.00 179.25 180.54 1o5x h SER 116 N 0.96 0.00 -0.11 0.00 0.02 -0.62 -2.34 113.55 111.47 1o5x h SER 116 Ca 0.21 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1o5x h SER 116 Cb 0.34 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1o5x h SER 116 CO -0.00 0.09 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.45 1o5x h LEU 117 N -0.08 0.56 -1.44 5.07 3.38 -0.92 -0.62 115.31 121.27 1o5x h LEU 117 Ca 0.00 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1o5x h LEU 117 Cb 0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1o5x h LEU 117 CO -0.00 0.81 0.48 0.50 0.09 0.00 0.00 178.44 180.32 1o5x h LYS 118 N 0.49 0.62 -0.62 1.13 3.64 -1.04 -1.44 116.57 119.34 1o5x h LYS 118 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1o5x h LYS 118 Cb 0.71 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1o5x h LYS 118 CO 0.05 0.41 0.00 0.09 -2.27 0.00 0.00 179.45 177.73 1o5x n ASN 119 N -4.49 5.32 -2.41 4.20 3.02 -0.89 -4.94 115.26 115.07 1o5x n ASN 119 Ca 0.12 -2.70 -0.18 0.00 -0.03 0.00 0.00 54.58 51.79 1o5x n ASN 119 Cb 0.33 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 1o5x n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1o5x n ASN 120 N 0.90 -5.33 -4.91 6.41 5.03 -0.54 -4.77 115.26 112.04 1o5x n ASN 120 Ca 0.27 -0.18 -0.27 0.00 0.87 0.00 0.00 54.58 55.27 1o5x n ASN 120 Cb 1.06 -4.23 -0.02 0.00 -1.02 0.00 0.00 39.78 35.57 1o5x n ASN 120 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1o5x s LEU 121 N -5.50 3.88 -0.01 3.41 1.43 -0.30 -5.02 118.68 116.57 1o5x s LEU 121 Ca 0.19 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.99 1o5x s LEU 121 Cb -0.08 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1o5x s LEU 121 CO 0.23 -0.37 0.17 -0.54 0.23 0.00 0.00 176.35 176.07 1o5x s LYS 122 N -4.21 3.39 -0.03 1.70 1.02 -0.35 -4.32 119.74 116.94 1o5x s LYS 122 Ca 0.44 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.15 1o5x s LYS 122 Cb -0.10 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1o5x s LYS 122 CO 0.37 0.68 -0.17 0.00 -0.92 0.00 0.00 175.35 175.31 1o5x s ALA 123 N -1.29 1.43 -0.38 5.17 0.00 -0.56 -1.27 121.76 124.87 1o5x s ALA 123 Ca 0.26 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1o5x s ALA 123 Cb -0.12 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.64 1o5x s ALA 123 CO 0.17 0.31 0.17 0.08 0.00 0.00 0.00 175.76 176.49 1o5x s VAL 124 N -0.18 3.82 -0.20 0.00 1.01 0.60 -0.50 120.40 124.95 1o5x s VAL 124 Ca 0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 1o5x s VAL 124 Cb -0.09 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1o5x s VAL 124 CO 0.01 -0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.00 1o5x s VAL 125 N 1.36 3.46 0.04 2.92 1.01 0.26 -0.65 120.40 128.81 1o5x s VAL 125 Ca 0.01 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1o5x s VAL 125 Cb -0.21 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1o5x s VAL 125 CO 0.01 0.44 0.04 0.00 0.00 0.00 0.00 175.10 175.59 1o5x s PHE 127 N -1.25 0.00 0.00 0.00 -0.12 -0.74 -4.58 117.98 111.28 1o5x s PHE 127 Ca 0.25 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.57 1o5x s PHE 127 Cb -0.12 0.77 0.00 0.00 -0.63 0.00 0.00 43.02 43.04 1o5x s PHE 127 CO 0.17 -1.35 0.00 0.41 -0.05 0.00 0.00 175.22 174.39 1o5x n GLY 128 N -0.52 3.66 3.91 1.99 0.00 -1.26 -0.27 105.19 112.71 1o5x n GLY 128 Ca -0.06 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 1o5x n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o5x s GLU 129 N -2.41 3.36 0.82 1.61 1.03 -1.25 -4.80 118.70 117.06 1o5x s GLU 129 Ca 0.00 -0.57 -0.12 0.00 0.03 0.00 0.00 54.97 54.31 1o5x s GLU 129 Cb 0.00 -2.95 0.09 0.00 -0.80 0.00 0.00 34.13 30.48 1o5x s GLU 129 CO 0.00 0.55 1.19 -1.54 -1.33 0.00 0.00 175.26 174.13 1o5x s SER 130 N -2.92 4.34 0.19 0.83 1.04 -1.26 -2.39 113.70 113.53 1o5x s SER 130 Ca 0.34 0.68 -0.11 0.00 0.48 0.00 0.00 55.95 57.34 1o5x s SER 130 Cb -0.12 -1.12 0.16 0.00 0.10 0.00 0.00 66.02 65.04 1o5x s SER 130 CO 0.27 -2.00 1.82 0.25 0.98 0.00 0.00 173.24 174.57 1o5x h LEU 131 N -1.10 0.56 -0.61 2.42 5.85 -1.82 -0.76 115.31 119.85 1o5x h LEU 131 Ca -0.46 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1o5x h LEU 131 Cb 1.32 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1o5x h LEU 131 CO 0.62 0.38 0.12 -0.08 -0.34 0.00 0.00 178.44 179.14 1o5x h GLU 132 N 0.69 1.00 -0.82 1.25 4.81 -1.96 0.12 114.58 119.66 1o5x h GLU 132 Ca 0.25 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1o5x h GLU 132 Cb 0.07 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1o5x h GLU 132 CO -0.13 0.93 0.36 1.96 -0.73 0.00 0.00 179.01 181.40 1o5x h GLN 133 N 0.91 1.21 -0.31 1.92 4.20 -1.85 -0.81 115.11 120.38 1o5x h GLN 133 Ca 0.19 -0.20 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 1o5x h GLN 133 Cb 0.39 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1o5x h GLN 133 CO 0.01 0.95 -0.44 -0.09 -0.67 0.00 0.00 178.83 178.59 1o5x h ARG 134 N 1.19 0.80 0.00 1.46 2.43 -0.70 -0.42 114.38 119.14 1o5x h ARG 134 Ca 0.28 -0.44 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1o5x h ARG 134 Cb 0.17 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1o5x h ARG 134 CO -0.03 1.07 -0.25 0.93 -1.51 0.00 0.00 179.97 180.18 1o5x h GLU 135 N 0.64 0.00 -0.17 0.20 5.08 -0.33 0.24 114.58 120.24 1o5x h GLU 135 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1o5x h GLU 135 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1o5x h GLU 135 CO 0.10 0.25 0.00 1.04 -1.00 0.00 0.00 179.01 179.40 1o5x n GLN 136 N -3.60 1.48 -3.27 2.33 6.02 -0.35 -4.92 117.38 115.08 1o5x n GLN 136 Ca -0.01 -0.74 -0.20 0.00 -0.01 0.00 0.00 57.00 56.04 1o5x n GLN 136 Cb 0.38 -1.25 0.06 0.00 1.02 0.00 0.00 30.24 30.45 1o5x n GLN 136 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1o5x n ASN 137 N 0.04 -5.74 -0.74 1.08 5.15 0.07 -4.93 115.26 110.19 1o5x n ASN 137 Ca 0.11 -0.39 0.09 0.00 -0.60 0.00 0.00 54.58 53.78 1o5x n ASN 137 Cb 0.20 -4.43 0.24 0.00 -0.53 0.00 0.00 39.78 35.26 1o5x n ASN 137 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1o5x n LYS 138 N -4.15 2.65 0.02 1.20 5.02 -0.19 -4.77 118.16 117.94 1o5x n LYS 138 Ca -0.03 -2.77 -0.10 0.00 -2.02 0.00 0.00 58.31 53.39 1o5x n LYS 138 Cb 0.57 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1o5x n LYS 138 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1o5x h THR 139 N 1.50 0.54 -0.53 -0.18 2.02 -1.86 -0.57 112.91 113.82 1o5x h THR 139 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1o5x h THR 139 Cb 1.35 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1o5x h THR 139 CO 0.18 0.00 -0.03 0.40 0.37 0.00 0.00 175.52 176.44 1o5x h ILE 140 N -0.25 1.27 -0.59 3.11 2.04 -1.96 -1.21 117.51 119.91 1o5x h ILE 140 Ca 0.09 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 64.82 1o5x h ILE 140 Cb 0.37 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1o5x h ILE 140 CO -0.24 0.41 0.37 -0.08 0.00 0.00 0.00 178.15 178.61 1o5x h GLU 141 N 0.83 0.72 -0.13 2.37 4.81 -1.83 0.11 114.58 121.47 1o5x h GLU 141 Ca 0.15 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1o5x h GLU 141 Cb 0.57 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1o5x h GLU 141 CO 0.03 0.47 -0.02 0.28 -0.73 0.00 0.00 179.01 179.05 1o5x h VAL 142 N 0.74 1.28 -0.26 0.32 2.07 -0.90 -2.01 116.25 117.49 1o5x h VAL 142 Ca 0.23 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1o5x h VAL 142 Cb -0.01 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1o5x h VAL 142 CO -0.09 0.27 -0.22 0.40 0.02 0.00 0.00 177.57 177.95 1o5x h ILE 143 N -0.06 1.26 -0.58 4.57 2.04 -1.09 -0.72 117.51 122.93 1o5x h ILE 143 Ca 0.03 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.71 1o5x h ILE 143 Cb 0.43 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1o5x h ILE 143 CO 0.01 0.38 0.35 0.74 0.00 0.00 0.00 178.15 179.64 1o5x h THR 144 N 0.42 1.06 -0.37 -0.27 2.02 -0.67 0.00 112.91 115.10 1o5x h THR 144 Ca 0.07 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1o5x h THR 144 Cb 0.63 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1o5x h THR 144 CO 0.04 0.13 0.05 0.50 0.37 0.00 0.00 175.52 176.61 1o5x h LYS 145 N 0.69 0.63 -0.68 6.66 3.64 -1.02 -0.35 116.57 126.14 1o5x h LYS 145 Ca 0.23 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1o5x h LYS 145 Cb 0.03 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1o5x h LYS 145 CO -0.10 0.70 0.28 1.96 -2.27 0.00 0.00 179.45 180.02 1o5x h GLN 146 N 0.46 1.02 -0.14 1.90 4.20 -0.85 -1.83 115.11 119.87 1o5x h GLN 146 Ca 0.11 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1o5x h GLN 146 Cb 0.38 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1o5x h GLN 146 CO 0.01 0.85 -0.12 0.28 -0.67 0.00 0.00 178.83 179.18 1o5x h VAL 147 N 0.97 1.34 0.00 -0.54 2.07 -0.92 -3.03 116.25 116.14 1o5x h VAL 147 Ca 0.23 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1o5x h VAL 147 Cb 0.20 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1o5x h VAL 147 CO -0.02 0.36 0.00 0.11 0.02 0.00 0.00 177.57 178.04 1o5x h LYS 148 N -0.04 0.00 0.00 1.57 1.57 -0.95 -0.13 116.57 118.59 1o5x h LYS 148 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1o5x h LYS 148 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1o5x h LYS 148 CO 0.03 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.87 1o5x h ALA 149 N 2.01 1.47 0.00 3.86 0.00 -1.20 -3.34 119.26 122.06 1o5x h ALA 149 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1o5x h ALA 149 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1o5x h ALA 149 CO 0.00 0.05 -0.18 1.97 0.00 0.00 0.00 179.25 181.10 1o5x n PHE 150 N -3.82 0.00 0.22 0.00 1.16 -0.65 -4.69 117.46 109.69 1o5x n PHE 150 Ca -0.03 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.64 1o5x n PHE 150 Cb 0.14 0.00 0.52 0.00 -1.61 0.00 0.00 39.48 38.52 1o5x n PHE 150 CO 0.00 0.00 0.00 -0.24 -1.87 0.00 0.00 176.76 174.65 1o5x h VAL 151 N 0.00 0.82 0.00 1.97 3.04 -1.19 -1.49 116.25 119.40 1o5x h VAL 151 Ca 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1o5x h VAL 151 Cb 0.00 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1o5x h VAL 151 CO 0.00 0.24 0.00 -2.24 -1.01 0.00 0.00 177.57 174.56 1o5x h ASP 152 N 0.00 0.00 1.40 3.17 2.03 -1.85 -2.48 116.42 118.69 1o5x h ASP 152 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1o5x h ASP 152 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 1o5x h ASP 152 CO 0.03 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.17 1o5x h LEU 153 N 0.00 0.00 -9.40 0.15 3.38 -1.66 -3.45 115.31 104.33 1o5x h LEU 153 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1o5x h LEU 153 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1o5x h LEU 153 CO 0.00 0.00 0.58 -0.63 0.09 0.00 0.00 178.44 178.48 1o5x s ILE 154 N -3.28 4.26 -0.07 1.22 1.01 -0.94 -4.87 121.20 118.53 1o5x s ILE 154 Ca 0.07 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.34 1o5x s ILE 154 Cb 0.09 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1o5x s ILE 154 CO 0.57 0.07 -0.05 0.47 0.00 0.00 0.00 174.94 176.00 1o5x n ASP 155 N 4.43 3.42 -4.26 3.58 10.43 -1.26 -4.92 116.55 127.96 1o5x n ASP 155 Ca 0.09 -0.03 -0.38 0.00 2.57 0.00 0.00 54.79 57.04 1o5x n ASP 155 Cb 0.47 0.01 -0.12 0.00 1.84 0.00 0.00 41.12 43.32 1o5x n ASP 155 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1o5x s ASN 156 N -4.57 5.29 0.00 -2.24 3.84 -1.26 -4.95 114.94 111.04 1o5x s ASN 156 Ca -0.09 -1.16 0.16 0.00 0.21 0.00 0.00 52.86 51.98 1o5x s ASN 156 Cb 0.03 -1.86 0.94 0.00 -0.55 0.00 0.00 41.25 39.81 1o5x s ASN 156 CO 0.19 -0.32 1.60 0.49 -2.79 0.00 0.00 177.10 176.27 1o5x n PHE 157 N 4.80 0.00 0.34 0.43 3.01 -1.26 -1.61 117.46 123.16 1o5x n PHE 157 Ca -0.12 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.45 1o5x n PHE 157 Cb 0.44 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.03 1o5x n PHE 157 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1o5x h ASP 158 N 0.00 0.00 -0.02 4.37 3.45 -1.92 -3.33 116.42 118.97 1o5x h ASP 158 Ca 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.38 1o5x h ASP 158 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1o5x h ASP 158 CO 0.00 0.04 -0.30 0.59 -1.57 0.00 0.00 179.24 178.00 1o5x n ASN 159 N -2.50 1.95 -4.17 6.45 5.03 -0.64 -4.82 115.26 116.57 1o5x n ASN 159 Ca 0.02 -1.48 -0.31 0.00 0.87 0.00 0.00 54.58 53.69 1o5x n ASN 159 Cb 0.50 0.37 -0.17 0.00 -1.02 0.00 0.00 39.78 39.46 1o5x n ASN 159 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1o5x s VAL 160 N -1.99 1.87 -0.13 2.41 1.01 -1.24 -1.49 120.40 120.84 1o5x s VAL 160 Ca 0.17 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1o5x s VAL 160 Cb 0.15 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1o5x s VAL 160 CO 0.41 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 175.22 1o5x s ILE 161 N 0.47 1.74 0.20 2.22 1.09 0.35 -4.40 121.20 122.87 1o5x s ILE 161 Ca -0.17 -0.78 -0.10 0.00 -1.10 0.00 0.00 60.65 58.51 1o5x s ILE 161 Cb -0.17 -1.57 -0.07 0.00 -1.06 0.00 0.00 42.46 39.59 1o5x s ILE 161 CO 0.07 0.49 0.52 -0.76 -0.10 0.00 0.00 174.94 175.15 1o5x s LEU 162 N 1.00 4.22 -0.08 2.97 1.43 -0.24 -0.57 118.68 127.40 1o5x s LEU 162 Ca -0.05 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1o5x s LEU 162 Cb -0.15 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.56 1o5x s LEU 162 CO -0.03 -0.02 -0.07 -0.69 0.23 0.00 0.00 176.35 175.77 1o5x s VAL 163 N -1.72 0.85 -0.29 -1.59 1.01 0.16 -0.05 120.40 118.76 1o5x s VAL 163 Ca 0.44 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 1o5x s VAL 163 Cb -0.12 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1o5x s VAL 163 CO 0.21 0.32 0.64 -0.47 0.00 0.00 0.00 175.10 175.81 1o5x s TYR 164 N 1.41 3.24 -0.35 5.22 5.04 -0.11 -1.80 117.35 130.00 1o5x s TYR 164 Ca -0.02 0.68 -0.10 0.00 -2.44 0.00 0.00 57.07 55.20 1o5x s TYR 164 Cb -0.13 -2.96 0.02 0.00 0.35 0.00 0.00 41.96 39.24 1o5x s TYR 164 CO -0.04 -0.43 0.17 -1.21 -1.34 0.00 0.00 175.55 172.70 1o5x s GLU 165 N 2.61 2.93 -1.23 4.97 2.02 0.63 -0.12 118.70 130.52 1o5x s GLU 165 Ca 0.26 -1.00 -0.19 0.00 0.02 0.00 0.00 54.97 54.07 1o5x s GLU 165 Cb -0.15 -3.62 0.07 0.00 0.10 0.00 0.00 34.13 30.53 1o5x s GLU 165 CO 0.11 -0.61 1.65 -1.25 0.02 0.00 0.00 175.26 175.17 1o5x s PRO 166 N 1.54 3.90 0.50 0.39 0.04 -1.26 -3.94 135.00 136.17 1o5x s PRO 166 Ca 0.02 -1.83 0.17 0.00 0.04 0.00 0.00 61.00 59.39 1o5x s PRO 166 Cb -0.19 -5.46 1.23 0.00 0.04 0.00 0.00 34.50 30.13 1o5x s PRO 166 CO 0.06 -2.21 2.11 -0.07 0.04 0.00 0.00 177.00 176.93 1o5x h LEU 167 N 12.41 0.00 -2.41 -3.56 3.38 -1.78 -0.00 115.31 123.34 1o5x h LEU 167 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1o5x h LEU 167 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1o5x h LEU 167 CO 1.43 0.05 0.00 4.11 0.09 0.00 0.00 178.44 184.13 1o5x h TRP 168 N 0.00 0.00 -0.12 1.13 5.08 -1.69 -1.12 115.95 119.23 1o5x h TRP 168 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1o5x h TRP 168 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1o5x h TRP 168 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 1o5x n ALA 169 N -1.97 2.57 -4.09 0.11 0.00 -0.02 -4.49 120.51 112.62 1o5x n ALA 169 Ca -0.02 -2.38 -0.32 0.00 0.00 0.00 0.00 53.44 50.71 1o5x n ALA 169 Cb 0.06 -0.51 -0.15 0.00 0.00 0.00 0.00 19.45 18.84 1o5x n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1o5x s ILE 170 N -2.73 2.13 0.00 0.00 1.01 -0.42 -4.49 121.20 116.70 1o5x s ILE 170 Ca 0.35 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1o5x s ILE 170 Cb 0.29 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1o5x s ILE 170 CO 0.06 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1o5x n GLY 171 N 4.50 0.04 0.32 6.18 0.00 -1.26 -4.84 105.19 110.13 1o5x n GLY 171 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 1o5x n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1o5x n THR 172 N -2.07 0.00 -0.27 2.61 -2.24 -1.26 -4.91 114.28 106.14 1o5x n THR 172 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1o5x n THR 172 Cb 0.41 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1o5x n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o5x n GLY 173 N 1.26 2.37 3.92 3.38 0.00 -1.26 -5.01 105.19 109.85 1o5x n GLY 173 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1o5x n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o5x s LYS 174 N -0.03 3.56 -0.07 1.61 -0.14 -1.26 -5.10 119.74 118.31 1o5x s LYS 174 Ca 0.00 -0.06 0.01 0.00 -1.36 0.00 0.00 55.97 54.55 1o5x s LYS 174 Cb 0.00 -2.59 0.02 0.00 -1.68 0.00 0.00 37.83 33.58 1o5x s LYS 174 CO 0.00 0.09 -0.07 0.99 -0.76 0.00 0.00 175.35 175.60 1o5x s THR 175 N -2.32 0.85 -0.11 2.17 2.01 -1.26 -4.57 115.64 112.41 1o5x s THR 175 Ca 0.43 -0.25 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 1o5x s THR 175 Cb -0.10 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 1o5x s THR 175 CO 0.35 0.31 0.74 0.00 -0.69 0.00 0.00 174.62 175.34 1o5x s ALA 176 N 1.20 3.40 0.65 7.40 0.00 -1.26 -5.05 121.76 128.09 1o5x s ALA 176 Ca -0.05 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1o5x s ALA 176 Cb -0.14 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1o5x s ALA 176 CO -0.02 -0.31 1.04 0.95 0.00 0.00 0.00 175.76 177.43 1o5x s THR 177 N 1.30 4.26 0.28 0.00 -4.23 -1.26 -4.88 115.64 111.10 1o5x s THR 177 Ca 0.37 0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 61.68 1o5x s THR 177 Cb -0.17 -3.57 0.28 0.00 1.34 0.00 0.00 72.50 70.37 1o5x s THR 177 CO 0.16 -0.90 1.86 -0.65 -0.54 0.00 0.00 174.62 174.56 1o5x h PRO 178 N -0.33 1.06 -0.71 3.99 0.11 -1.97 -0.87 132.00 133.29 1o5x h PRO 178 Ca -0.44 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1o5x h PRO 178 Cb 1.20 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1o5x h PRO 178 CO 0.59 0.70 0.26 1.49 -0.21 0.00 0.00 178.00 180.83 1o5x h GLU 179 N 1.09 1.08 -0.69 1.05 4.57 -1.92 0.45 114.58 120.21 1o5x h GLU 179 Ca 0.46 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1o5x h GLU 179 Cb 0.31 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 1o5x h GLU 179 CO -0.21 0.91 0.36 1.96 -1.18 0.00 0.00 179.01 180.85 1o5x h GLN 180 N 1.02 0.97 0.03 1.92 4.20 -1.64 -0.90 115.11 120.71 1o5x h GLN 180 Ca 0.23 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1o5x h GLN 180 Cb 0.25 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1o5x h GLN 180 CO -0.01 0.72 -0.01 0.00 -0.67 0.00 0.00 178.83 178.86 1o5x h ALA 181 N 1.43 -0.04 -0.61 3.87 0.00 -0.80 -2.69 119.26 120.43 1o5x h ALA 181 Ca 0.24 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1o5x h ALA 181 Cb 0.05 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1o5x h ALA 181 CO -0.04 -0.47 0.20 0.37 0.00 0.00 0.00 179.25 179.32 1o5x h GLN 182 N -0.14 0.35 -0.77 0.00 5.75 -0.56 0.15 115.11 119.89 1o5x h GLN 182 Ca -0.00 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1o5x h GLN 182 Cb 0.13 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 1o5x h GLN 182 CO 0.01 0.23 0.48 -0.07 -2.65 0.00 0.00 178.83 176.83 1o5x h LEU 183 N 0.36 0.77 -0.33 -2.39 3.38 -1.02 -0.04 115.31 116.04 1o5x h LEU 183 Ca 0.31 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 1o5x h LEU 183 Cb 0.41 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1o5x h LEU 183 CO -0.34 0.52 -0.49 0.58 0.09 0.00 0.00 178.44 178.80 1o5x h VAL 184 N 0.91 1.27 -0.94 1.22 2.07 -0.97 -2.25 116.25 117.57 1o5x h VAL 184 Ca 0.32 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 66.22 1o5x h VAL 184 Cb 0.08 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1o5x h VAL 184 CO -0.14 0.55 0.61 0.45 0.02 0.00 0.00 177.57 179.06 1o5x h HIS 185 N 0.71 1.13 -0.65 1.57 3.86 -0.55 0.19 115.15 121.41 1o5x h HIS 185 Ca 0.03 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1o5x h HIS 185 Cb 1.10 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 29.16 1o5x h HIS 185 CO 0.07 0.63 0.23 -0.22 0.86 0.00 0.00 177.93 179.49 1o5x h LYS 186 N 1.15 0.97 -0.55 2.45 3.64 -0.91 -1.16 116.57 122.17 1o5x h LYS 186 Ca 0.39 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1o5x h LYS 186 Cb 0.06 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1o5x h LYS 186 CO -0.14 0.82 -0.07 0.93 -2.27 0.00 0.00 179.45 178.72 1o5x h GLU 187 N 0.95 1.00 -0.67 1.90 4.39 -0.61 -1.74 114.58 119.80 1o5x h GLU 187 Ca 0.22 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1o5x h GLU 187 Cb 0.24 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1o5x h GLU 187 CO -0.01 1.02 0.40 0.82 -1.16 0.00 0.00 179.01 180.08 1o5x h ILE 188 N 0.90 1.20 -0.61 3.13 2.04 -0.24 -1.30 117.51 122.63 1o5x h ILE 188 Ca 0.15 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1o5x h ILE 188 Cb 0.62 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1o5x h ILE 188 CO 0.04 0.20 0.17 -0.09 0.00 0.00 0.00 178.15 178.47 1o5x h ARG 189 N 0.92 0.94 -0.70 2.37 2.43 -1.01 -0.76 114.38 118.56 1o5x h ARG 189 Ca 0.24 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1o5x h ARG 189 Cb -0.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1o5x h ARG 189 CO -0.04 0.82 0.37 -0.22 -1.51 0.00 0.00 179.97 179.38 1o5x h LYS 190 N 0.90 0.98 -0.71 0.20 3.64 -0.92 0.31 116.57 120.96 1o5x h LYS 190 Ca 0.20 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1o5x h LYS 190 Cb 0.29 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1o5x h LYS 190 CO -0.00 0.75 0.44 0.82 -2.27 0.00 0.00 179.45 179.19 1o5x h ILE 191 N 0.96 1.20 -0.71 2.00 2.04 -0.44 -0.82 117.51 121.75 1o5x h ILE 191 Ca 0.24 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1o5x h ILE 191 Cb 0.06 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1o5x h ILE 191 CO -0.04 0.20 0.22 0.58 0.00 0.00 0.00 178.15 179.12 1o5x h VAL 192 N 0.97 1.26 -0.63 1.67 2.07 -0.81 -1.10 116.25 119.68 1o5x h VAL 192 Ca 0.26 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.95 1o5x h VAL 192 Cb -0.05 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1o5x h VAL 192 CO -0.05 0.35 0.34 0.50 0.02 0.00 0.00 177.57 178.73 1o5x h LYS 193 N 1.04 0.62 0.00 1.57 3.64 -0.33 0.06 116.57 123.17 1o5x h LYS 193 Ca 0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1o5x h LYS 193 Cb 0.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1o5x h LYS 193 CO -0.01 0.41 -0.51 -0.44 -2.27 0.00 0.00 179.45 176.63 1o5x h ASP 194 N 0.63 0.00 0.17 4.20 3.32 -0.83 -1.89 116.42 122.03 1o5x h ASP 194 Ca 0.28 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1o5x h ASP 194 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1o5x h ASP 194 CO -0.18 0.04 -1.90 0.35 -1.72 0.00 0.00 179.24 175.83 1o5x n THR 195 N -2.49 0.39 0.06 0.35 -2.24 -0.45 -4.79 114.28 105.11 1o5x n THR 195 Ca 0.03 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1o5x n THR 195 Cb 0.49 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1o5x n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5x n GLY 197 N 3.22 3.47 0.10 0.00 0.00 -0.71 -4.97 105.19 106.29 1o5x n GLY 197 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1o5x n GLY 197 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1o5x h GLU 198 N 0.00 0.21 -0.76 1.61 5.08 -1.87 -1.07 114.58 117.77 1o5x h GLU 198 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1o5x h GLU 198 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1o5x h GLU 198 CO 0.00 0.32 0.46 -0.22 -1.00 0.00 0.00 179.01 178.57 1o5x h LYS 199 N 0.05 1.03 -0.29 2.33 3.64 -1.95 -1.47 116.57 119.91 1o5x h LYS 199 Ca 0.04 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1o5x h LYS 199 Cb 0.20 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1o5x h LYS 199 CO -0.00 0.73 0.10 1.96 -2.27 0.00 0.00 179.45 179.97 1o5x h GLN 200 N 1.04 0.23 -0.56 1.90 7.50 -1.90 -1.79 115.11 121.53 1o5x h GLN 200 Ca 0.27 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.36 1o5x h GLN 200 Cb -0.03 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.42 1o5x h GLN 200 CO -0.05 0.15 0.15 0.00 -1.50 0.00 0.00 178.83 177.58 1o5x h ALA 201 N 1.18 1.22 0.00 3.87 0.00 -0.82 -1.69 119.26 123.02 1o5x h ALA 201 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1o5x h ALA 201 Cb 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1o5x h ALA 201 CO -0.13 0.54 0.00 -0.91 0.00 0.00 0.00 179.25 178.76 1o5x h ASN 202 N 0.82 0.00 0.58 0.00 2.35 -0.88 -3.20 115.58 115.25 1o5x h ASN 202 Ca 0.18 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.65 1o5x h ASN 202 Cb 0.27 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1o5x h ASN 202 CO -0.00 0.00 -1.47 1.56 -1.65 0.00 0.00 177.43 175.86 1o5x h GLN 203 N 0.00 0.12 -6.74 0.81 4.20 -0.63 -3.44 115.11 109.43 1o5x h GLN 203 Ca 0.00 -0.20 -0.52 0.00 0.06 0.00 0.00 58.65 57.99 1o5x h GLN 203 Cb 0.72 0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.60 1o5x h GLN 203 CO 0.00 0.91 0.54 -1.50 -0.67 0.00 0.00 178.83 178.11 1o5x s ILE 204 N -2.63 3.43 0.12 2.54 2.07 -0.70 -4.75 121.20 121.28 1o5x s ILE 204 Ca -0.06 1.30 -0.28 0.00 -1.41 0.00 0.00 60.65 60.20 1o5x s ILE 204 Cb 0.08 -3.83 -0.06 0.00 0.13 0.00 0.00 42.46 38.77 1o5x s ILE 204 CO 0.83 0.26 0.90 -0.13 -1.91 0.00 0.00 174.94 174.89 1o5x s ARG 205 N -0.83 4.67 -0.23 3.50 3.00 -1.26 -4.99 118.95 122.80 1o5x s ARG 205 Ca 0.50 1.34 0.02 0.00 0.00 0.00 0.00 55.73 57.59 1o5x s ARG 205 Cb -0.33 -3.35 0.05 0.00 0.00 0.00 0.00 34.95 31.32 1o5x s ARG 205 CO 0.40 0.31 -0.12 0.42 0.00 0.00 0.00 175.30 176.31 1o5x s ILE 206 N -0.31 1.99 0.15 1.52 1.01 -1.26 -1.07 121.20 123.22 1o5x s ILE 206 Ca 0.43 -1.34 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 1o5x s ILE 206 Cb -0.23 -2.04 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 1o5x s ILE 206 CO 0.28 0.12 0.40 -0.76 0.00 0.00 0.00 174.94 174.98 1o5x s LEU 207 N 1.22 4.26 -0.06 2.97 1.43 0.93 -1.11 118.68 128.32 1o5x s LEU 207 Ca -0.04 0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 53.49 1o5x s LEU 207 Cb -0.18 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1o5x s LEU 207 CO -0.07 0.05 0.67 -0.47 0.23 0.00 0.00 176.35 176.75 1o5x s TYR 208 N -1.65 3.59 -0.14 0.29 5.04 -0.25 -0.94 117.35 123.29 1o5x s TYR 208 Ca 0.41 1.22 0.18 0.00 -2.44 0.00 0.00 57.07 56.43 1o5x s TYR 208 Cb -0.12 -2.76 0.32 0.00 0.35 0.00 0.00 41.96 39.76 1o5x s TYR 208 CO 0.23 0.13 1.18 0.41 -1.34 0.00 0.00 175.55 176.17 1o5x n GLY 209 N 3.02 4.85 0.00 8.97 0.00 0.83 -1.65 105.19 121.21 1o5x n GLY 209 Ca -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1o5x n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o5x n GLY 210 N -1.33 -0.23 3.66 -0.02 0.00 -1.25 -4.67 105.19 101.35 1o5x n GLY 210 Ca 0.17 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 1o5x n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1o5x s SER 211 N -1.00 6.82 -0.07 1.61 0.15 -1.26 -4.83 113.70 115.11 1o5x s SER 211 Ca 0.00 1.97 0.03 0.00 0.70 0.00 0.00 55.95 58.66 1o5x s SER 211 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1o5x s SER 211 CO 0.00 -0.82 -0.18 -0.69 1.20 0.00 0.00 173.24 172.75 1o5x s VAL 212 N 3.55 1.58 0.30 4.45 1.01 -1.26 -5.02 120.40 125.01 1o5x s VAL 212 Ca 0.64 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1o5x s VAL 212 Cb -0.28 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1o5x s VAL 212 CO 0.22 0.45 0.30 0.54 0.00 0.00 0.00 175.10 176.62 1o5x s ASN 213 N 0.39 1.10 0.59 3.32 2.20 -1.26 -4.48 114.94 116.79 1o5x s ASN 213 Ca -0.14 -1.58 0.34 0.00 -0.94 0.00 0.00 52.86 50.55 1o5x s ASN 213 Cb -0.16 0.55 1.84 0.00 -2.00 0.00 0.00 41.25 41.48 1o5x s ASN 213 CO 0.05 -1.07 2.20 0.71 -2.94 0.00 0.00 177.10 176.05 1o5x h THR 214 N 2.24 0.29 0.00 0.54 1.35 -1.96 -1.84 112.91 113.54 1o5x h THR 214 Ca -0.28 -0.25 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1o5x h THR 214 Cb 1.24 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1o5x h THR 214 CO 0.40 0.04 -0.76 -0.33 -0.25 0.00 0.00 175.52 174.63 1o5x h GLU 215 N 0.00 0.00 -0.00 4.72 4.39 -2.00 -3.37 114.58 118.33 1o5x h GLU 215 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1o5x h GLU 215 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1o5x h GLU 215 CO 0.01 0.04 -0.39 0.27 -1.16 0.00 0.00 179.01 177.77 1o5x n ASN 216 N -2.82 0.47 -0.24 1.42 0.23 -1.11 -4.75 115.26 108.46 1o5x n ASN 216 Ca 0.00 -0.74 -0.02 0.00 -0.53 0.00 0.00 54.58 53.30 1o5x n ASN 216 Cb 0.57 0.96 0.18 0.00 -2.08 0.00 0.00 39.78 39.41 1o5x n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1o5x h SER 218 N 1.06 0.83 0.13 0.00 0.87 -1.85 -1.11 113.55 113.48 1o5x h SER 218 Ca 0.27 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1o5x h SER 218 Cb 0.02 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1o5x h SER 218 CO -0.04 0.78 -0.18 0.77 -0.53 0.00 0.00 176.83 177.62 1o5x h SER 219 N 0.83 0.10 0.00 6.23 4.64 -1.76 -2.41 113.55 121.18 1o5x h SER 219 Ca 0.20 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1o5x h SER 219 Cb 0.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1o5x h SER 219 CO -0.02 0.30 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.17 1o5x h LEU 220 N 0.11 -0.00 -1.46 5.97 3.38 -0.97 -3.34 115.31 119.00 1o5x h LEU 220 Ca 0.02 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.19 1o5x h LEU 220 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1o5x h LEU 220 CO 0.03 0.77 -0.19 -0.29 0.09 0.00 0.00 178.44 178.84 1o5x h ILE 221 N -0.78 0.59 0.00 1.22 6.09 -1.08 -1.88 117.51 121.66 1o5x h ILE 221 Ca -0.00 -0.89 -0.00 0.00 -1.37 0.00 0.00 64.86 62.59 1o5x h ILE 221 Cb 0.77 1.59 -0.00 0.00 0.47 0.00 0.00 36.82 39.65 1o5x h ILE 221 CO 0.00 0.19 -0.02 1.56 -3.07 0.00 0.00 178.15 176.81 1o5x h GLN 222 N 0.00 0.00 -6.88 2.19 4.20 -1.55 -3.45 115.11 109.63 1o5x h GLN 222 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1o5x h GLN 222 Cb 0.57 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.43 1o5x h GLN 222 CO 0.02 0.02 0.70 -0.65 -0.67 0.00 0.00 178.83 178.25 1o5x s GLN 223 N -3.86 4.27 0.38 1.46 -1.52 -0.71 -4.90 119.66 114.78 1o5x s GLN 223 Ca -0.01 2.34 0.09 0.00 -1.95 0.00 0.00 55.36 55.82 1o5x s GLN 223 Cb 0.11 -3.05 0.84 0.00 -0.22 0.00 0.00 33.01 30.69 1o5x s GLN 223 CO 0.51 -0.33 1.96 0.93 -0.25 0.00 0.00 175.29 178.10 1o5x h GLU 224 N 3.55 0.62 -0.40 2.91 5.08 -1.89 -2.43 114.58 122.02 1o5x h GLU 224 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1o5x h GLU 224 Cb 1.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1o5x h GLU 224 CO 0.67 0.41 0.00 -0.25 -1.00 0.00 0.00 179.01 178.84 1o5x n ASP 225 N -4.48 3.17 -4.56 1.42 8.00 -1.26 -4.86 116.55 113.98 1o5x n ASP 225 Ca 0.11 -1.93 -0.39 0.00 0.71 0.00 0.00 54.79 53.29 1o5x n ASP 225 Cb 0.29 -0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 41.02 1o5x n ASP 225 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1o5x s ILE 226 N -1.11 5.29 -0.93 0.53 1.01 -0.92 -4.64 121.20 120.43 1o5x s ILE 226 Ca 0.32 -0.03 0.13 0.00 0.00 0.00 0.00 60.65 61.07 1o5x s ILE 226 Cb 0.17 -3.64 0.40 0.00 0.01 0.00 0.00 42.46 39.41 1o5x s ILE 226 CO 0.24 0.10 1.34 0.47 0.00 0.00 0.00 174.94 177.08 1o5x n ASP 227 N 5.10 3.31 0.00 3.58 10.43 -0.26 -4.70 116.55 134.01 1o5x n ASP 227 Ca -0.13 -2.18 0.00 0.00 2.57 0.00 0.00 54.79 55.05 1o5x n ASP 227 Cb 0.51 -0.33 0.00 0.00 1.84 0.00 0.00 41.12 43.14 1o5x n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1o5x n GLY 228 N 0.52 0.62 3.28 0.44 0.00 -1.26 -1.32 105.19 107.47 1o5x n GLY 228 Ca 0.15 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1o5x n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1o5x s PHE 229 N -3.04 -0.23 -0.35 1.61 0.40 -0.73 -1.09 117.98 114.55 1o5x s PHE 229 Ca 0.00 0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 56.57 1o5x s PHE 229 Cb 0.00 0.14 0.03 0.00 0.51 0.00 0.00 43.02 43.70 1o5x s PHE 229 CO 0.00 -0.44 0.15 -1.17 0.70 0.00 0.00 175.22 174.46 1o5x s LEU 230 N -1.44 4.45 -0.16 -0.37 2.96 -0.66 -0.93 118.68 122.54 1o5x s LEU 230 Ca -0.12 -1.00 -0.07 0.00 -0.22 0.00 0.00 54.13 52.72 1o5x s LEU 230 Cb -0.04 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1o5x s LEU 230 CO 0.04 -0.34 0.08 -0.69 -1.32 0.00 0.00 176.35 174.12 1o5x s VAL 231 N 1.49 4.98 0.00 1.68 1.01 0.43 -4.53 120.40 125.46 1o5x s VAL 231 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1o5x s VAL 231 Cb -0.19 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1o5x s VAL 231 CO 0.05 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1o5x n GLY 232 N 3.11 0.78 0.38 4.51 0.00 -1.26 -0.75 105.19 111.96 1o5x n GLY 232 Ca -0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.01 1o5x n GLY 232 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1o5x h ASN 233 N 0.00 0.50 0.43 1.61 2.35 -1.90 0.14 115.58 118.71 1o5x h ASN 233 Ca 0.00 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1o5x h ASN 233 Cb 0.00 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1o5x h ASN 233 CO 0.00 0.23 -0.01 0.00 -1.65 0.00 0.00 177.43 176.00 1o5x h ALA 234 N 1.62 1.02 -0.00 -0.83 0.00 -1.88 -1.70 119.26 117.48 1o5x h ALA 234 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1o5x h ALA 234 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1o5x h ALA 234 CO -0.19 0.01 -0.01 -1.13 0.00 0.00 0.00 179.25 177.93 1o5x n SER 235 N -3.13 0.22 -0.83 0.00 3.41 0.49 -2.80 113.62 110.98 1o5x n SER 235 Ca -0.01 -0.89 0.12 0.00 -0.26 0.00 0.00 58.87 57.82 1o5x n SER 235 Cb 0.18 -0.05 0.28 0.00 -0.26 0.00 0.00 64.21 64.36 1o5x n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1o5x n LEU 236 N -0.90 2.53 -4.64 1.04 4.77 -0.64 -4.91 117.00 114.25 1o5x n LEU 236 Ca 0.21 -0.97 -0.31 0.00 -0.03 0.00 0.00 56.01 54.92 1o5x n LEU 236 Cb 0.17 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1o5x n LEU 236 CO 0.19 0.49 -0.37 -0.54 -1.33 0.00 0.00 177.39 175.83 1o5x s LYS 237 N -1.81 2.43 0.55 3.23 1.02 -1.12 -5.02 119.74 119.02 1o5x s LYS 237 Ca 0.34 -0.86 0.24 0.00 0.02 0.00 0.00 55.97 55.71 1o5x s LYS 237 Cb 0.20 -2.47 1.53 0.00 -0.52 0.00 0.00 37.83 36.57 1o5x s LYS 237 CO 0.30 0.55 2.17 0.93 -0.92 0.00 0.00 175.35 178.38 1o5x h GLU 238 N 3.74 0.00 0.00 1.68 5.08 -1.91 -0.34 114.58 122.83 1o5x h GLU 238 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1o5x h GLU 238 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1o5x h GLU 238 CO 0.56 0.04 0.00 -1.13 -1.00 0.00 0.00 179.01 177.48 1o5x n SER 239 N -4.07 0.00 -0.07 1.42 3.41 -1.26 -2.38 113.62 110.67 1o5x n SER 239 Ca -0.03 -0.56 0.24 0.00 -0.26 0.00 0.00 58.87 58.26 1o5x n SER 239 Cb 0.12 -0.04 0.71 0.00 -0.26 0.00 0.00 64.21 64.75 1o5x n SER 239 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1o5x h PHE 240 N 0.00 0.00 -0.28 7.33 3.57 -1.18 0.58 116.94 126.96 1o5x h PHE 240 Ca 0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1o5x h PHE 240 Cb 0.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1o5x h PHE 240 CO 0.00 0.00 0.20 -0.39 -2.23 0.00 0.00 178.31 175.89 1o5x h VAL 241 N 0.00 0.89 0.00 1.41 -1.51 -1.71 -0.47 116.25 114.85 1o5x h VAL 241 Ca 0.32 -0.02 -0.13 0.00 -1.23 0.00 0.00 66.70 65.65 1o5x h VAL 241 Cb 1.32 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.29 1o5x h VAL 241 CO -0.00 0.01 -0.60 0.44 -1.23 0.00 0.00 177.57 176.19 1o5x h ASP 242 N 0.06 0.00 -0.45 4.19 3.32 -1.13 -0.14 116.42 122.26 1o5x h ASP 242 Ca 0.13 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1o5x h ASP 242 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1o5x h ASP 242 CO -0.01 0.60 -0.07 0.40 -1.72 0.00 0.00 179.24 178.44 1o5x h ILE 243 N 0.00 1.27 -0.46 0.35 2.04 -1.16 -2.12 117.51 117.44 1o5x h ILE 243 Ca -0.01 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1o5x h ILE 243 Cb 1.18 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1o5x h ILE 243 CO 0.08 0.40 0.24 0.40 0.00 0.00 0.00 178.15 179.26 1o5x h ILE 244 N 0.68 0.98 -0.51 -0.67 2.04 -1.03 -2.40 117.51 116.60 1o5x h ILE 244 Ca 0.12 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1o5x h ILE 244 Cb 0.60 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1o5x h ILE 244 CO 0.04 0.09 0.34 0.11 0.00 0.00 0.00 178.15 178.72 1o5x h LYS 245 N 0.47 0.40 0.00 2.37 1.57 -0.86 -0.56 116.57 119.95 1o5x h LYS 245 Ca 0.20 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1o5x h LYS 245 Cb 0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1o5x h LYS 245 CO -0.13 0.26 -0.00 0.66 -0.57 0.00 0.00 179.45 179.67 1o5x h SER 246 N 0.41 0.00 -0.36 0.86 4.64 -0.84 -0.97 113.55 117.28 1o5x h SER 246 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1o5x h SER 246 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1o5x h SER 246 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 1o5x n ALA 247 N -2.11 2.41 1.42 5.18 0.00 -0.23 -4.90 120.51 122.28 1o5x n ALA 247 Ca -0.03 -0.98 0.14 0.00 0.00 0.00 0.00 53.44 52.57 1o5x n ALA 247 Cb 0.10 -0.81 0.45 0.00 0.00 0.00 0.00 19.45 19.19 1o5x n ALA 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17