#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsa s PRO 4 N 0.00 3.83 -0.22 -1.58 0.02 -1.26 -4.66 135.00 131.12 1wsa s PRO 4 Ca 0.00 1.88 -0.12 0.00 0.02 0.00 0.00 61.00 62.78 1wsa s PRO 4 Cb 0.00 -2.52 -0.05 0.00 0.02 0.00 0.00 34.50 31.95 1wsa s PRO 4 CO 0.00 -0.52 0.23 -1.14 -0.33 0.00 0.00 177.00 175.24 1wsa s GLN 5 N -2.53 4.12 -0.04 5.54 0.74 -1.26 -0.76 119.66 125.48 1wsa s GLN 5 Ca 0.61 -0.11 0.05 0.00 0.05 0.00 0.00 55.36 55.97 1wsa s GLN 5 Cb -0.31 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.27 1wsa s GLN 5 CO 0.39 0.07 -0.20 0.08 -0.55 0.00 0.00 175.29 175.07 1wsa s VAL 6 N 1.02 1.63 -0.14 1.34 1.01 -0.63 -1.11 120.40 123.52 1wsa s VAL 6 Ca 0.11 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1wsa s VAL 6 Cb -0.14 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1wsa s VAL 6 CO 0.05 0.46 0.06 -0.89 0.00 0.00 0.00 175.10 174.78 1wsa s THR 7 N -0.19 4.79 -0.22 3.92 2.01 -1.17 -1.09 115.64 123.69 1wsa s THR 7 Ca 0.00 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1wsa s THR 7 Cb -0.11 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.31 1wsa s THR 7 CO 0.01 0.53 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 1wsa s ILE 8 N -0.25 2.97 -0.31 1.82 1.01 0.92 -1.56 121.20 125.81 1wsa s ILE 8 Ca 0.08 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 1wsa s ILE 8 Cb -0.12 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1wsa s ILE 8 CO 0.01 0.37 0.29 -0.76 0.00 0.00 0.00 174.94 174.85 1wsa s LEU 9 N 1.39 4.26 -0.22 2.97 1.02 -0.30 -0.04 118.68 127.77 1wsa s LEU 9 Ca 0.04 -0.11 -0.17 0.00 0.02 0.00 0.00 54.13 53.90 1wsa s LEU 9 Cb -0.15 -2.25 -0.03 0.00 0.02 0.00 0.00 46.19 43.78 1wsa s LEU 9 CO -0.05 -0.20 0.46 0.00 0.02 0.00 0.00 176.35 176.57 1wsa s ALA 10 N 1.89 3.56 -1.49 4.21 0.00 0.87 -2.08 121.76 128.71 1wsa s ALA 10 Ca 0.10 -0.53 0.23 0.00 0.00 0.00 0.00 51.96 51.76 1wsa s ALA 10 Cb -0.16 -2.75 0.16 0.00 0.00 0.00 0.00 23.12 20.36 1wsa s ALA 10 CO 0.11 -0.47 1.18 0.25 0.00 0.00 0.00 175.76 176.83 1wsa n THR 11 N 4.64 0.00 0.00 0.00 -2.24 -0.91 -1.15 114.28 114.62 1wsa n THR 11 Ca -0.06 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1wsa n THR 11 Cb 0.51 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1wsa n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wsa n GLY 12 N 1.44 2.42 0.00 3.38 0.00 -1.13 -1.69 105.19 109.62 1wsa n GLY 12 Ca 0.08 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1wsa n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wsa n GLY 13 N 0.00 2.75 3.65 -0.02 0.00 -1.26 -4.76 105.19 105.56 1wsa n GLY 13 Ca 0.00 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 1wsa n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wsa s THR 14 N 0.38 3.86 -1.93 2.61 -4.23 -1.26 -4.91 115.64 110.16 1wsa s THR 14 Ca 0.00 1.02 0.29 0.00 -1.18 0.00 0.00 61.69 61.83 1wsa s THR 14 Cb 0.00 -3.70 0.57 0.00 1.34 0.00 0.00 72.50 70.71 1wsa s THR 14 CO 0.00 -0.14 1.90 2.30 -0.54 0.00 0.00 174.62 178.15 1wsa n ILE 15 N 5.61 0.00 -3.82 2.99 -5.35 -1.26 -4.46 119.36 113.08 1wsa n ILE 15 Ca 0.16 -0.09 -0.12 0.00 -0.27 0.00 0.00 62.75 62.42 1wsa n ILE 15 Cb 0.44 -0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.19 1wsa n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wsa s ALA 16 N -2.26 -0.40 0.06 -1.28 0.00 -1.26 -3.69 121.76 112.93 1wsa s ALA 16 Ca 0.35 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1wsa s ALA 16 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1wsa s ALA 16 CO 0.42 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1wsa n GLY 17 N 2.98 -1.97 0.10 0.00 0.00 -1.25 -4.70 105.19 100.35 1wsa n GLY 17 Ca -0.13 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 1wsa n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wsa n SER 18 N -1.34 0.57 -0.84 1.61 7.64 -1.26 -3.65 113.62 116.35 1wsa n SER 18 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1wsa n SER 18 Cb 0.13 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1wsa n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wsa n TYR 27 N -2.93 0.00 -3.97 1.43 9.36 -1.26 -4.87 117.16 114.93 1wsa n TYR 27 Ca -0.30 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.63 1wsa n TYR 27 Cb 1.11 -0.30 -0.16 0.00 -0.63 0.00 0.00 39.34 39.36 1wsa n TYR 27 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1wsa s SER 28 N -0.77 2.95 0.59 2.98 0.15 -1.26 -5.00 113.70 113.34 1wsa s SER 28 Ca 0.00 -0.67 0.31 0.00 0.70 0.00 0.00 55.95 56.29 1wsa s SER 28 Cb 0.00 -1.11 1.85 0.00 -1.71 0.00 0.00 66.02 65.05 1wsa s SER 28 CO 0.00 -0.13 2.25 0.00 1.20 0.00 0.00 173.24 176.56 1wsa h ALA 29 N 8.05 1.45 0.00 5.45 0.00 -1.93 -3.46 119.26 128.82 1wsa h ALA 29 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wsa h ALA 29 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wsa h ALA 29 CO 0.47 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1wsa n GLY 30 N -1.23 1.18 2.97 0.00 0.00 -1.26 -0.78 105.19 106.08 1wsa n GLY 30 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1wsa n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsa s ALA 31 N -0.58 0.84 0.17 4.61 0.00 -1.19 -4.74 121.76 120.87 1wsa s ALA 31 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 1wsa s ALA 31 Cb 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 23.12 22.86 1wsa s ALA 31 CO 0.00 0.10 1.80 0.28 0.00 0.00 0.00 175.76 177.93 1wsa h VAL 32 N 5.63 1.00 -0.55 0.00 2.07 -1.98 -0.77 116.25 121.65 1wsa h VAL 32 Ca -0.34 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.08 1wsa h VAL 32 Cb 1.17 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1wsa h VAL 32 CO 0.48 0.10 0.22 0.74 0.02 0.00 0.00 177.57 179.12 1wsa h THR 33 N 0.52 0.82 -0.77 2.57 2.02 -1.96 0.21 112.91 116.32 1wsa h THR 33 Ca 0.21 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1wsa h THR 33 Cb 0.08 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 1wsa h THR 33 CO -0.12 0.07 0.51 0.58 0.37 0.00 0.00 175.52 176.93 1wsa h VAL 34 N 0.41 1.19 -0.34 3.16 2.07 -1.73 -1.29 116.25 119.71 1wsa h VAL 34 Ca 0.27 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1wsa h VAL 34 Cb 0.29 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1wsa h VAL 34 CO -0.26 0.19 0.04 0.44 0.02 0.00 0.00 177.57 178.00 1wsa h ASP 35 N 1.03 0.48 0.86 0.57 3.32 0.79 -1.13 116.42 122.34 1wsa h ASP 35 Ca 0.28 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 57.07 1wsa h ASP 35 Cb -0.10 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1wsa h ASP 35 CO -0.06 0.52 -0.89 0.11 -1.72 0.00 0.00 179.24 177.20 1wsa h LYS 36 N 0.50 0.02 -0.28 3.56 1.57 -0.27 -2.91 116.57 118.77 1wsa h LYS 36 Ca 0.11 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1wsa h LYS 36 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1wsa h LYS 36 CO 0.00 0.89 0.00 -0.07 -0.57 0.00 0.00 179.45 179.71 1wsa h LEU 37 N 0.01 0.48 -1.86 2.94 3.38 -0.59 0.23 115.31 119.90 1wsa h LEU 37 Ca -0.01 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1wsa h LEU 37 Cb 1.56 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1wsa h LEU 37 CO 0.12 0.66 0.02 -0.07 0.09 0.00 0.00 178.44 179.26 1wsa h LEU 38 N 0.27 0.10 0.11 1.67 3.38 -1.22 0.86 115.31 120.48 1wsa h LEU 38 Ca 0.08 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 1wsa h LEU 38 Cb 0.42 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1wsa h LEU 38 CO 0.01 0.10 -1.48 0.00 0.09 0.00 0.00 178.44 177.16 1wsa h ALA 39 N 1.92 0.26 -0.56 1.53 0.00 -1.41 -2.94 119.26 118.06 1wsa h ALA 39 Ca 0.03 -1.09 0.08 0.00 0.00 0.00 0.00 54.91 53.94 1wsa h ALA 39 Cb 0.04 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1wsa h ALA 39 CO -0.00 1.13 0.20 0.00 0.00 0.00 0.00 179.25 180.58 1wsa h ALA 40 N 0.53 0.71 -2.13 0.00 0.00 0.11 -3.35 119.26 115.12 1wsa h ALA 40 Ca -0.22 0.08 -0.39 0.00 0.00 0.00 0.00 54.91 54.37 1wsa h ALA 40 Cb 2.00 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 19.52 1wsa h ALA 40 CO 0.16 -0.20 -0.70 0.14 0.00 0.00 0.00 179.25 178.65 1wsa s VAL 41 N -6.11 -0.28 0.44 0.00 -7.23 0.09 -4.87 120.40 102.45 1wsa s VAL 41 Ca -0.13 -0.92 0.18 0.00 -1.81 0.00 0.00 61.98 59.29 1wsa s VAL 41 Cb 0.16 -0.84 0.37 0.00 0.56 0.00 0.00 36.38 36.63 1wsa s VAL 41 CO 0.74 -0.61 1.92 1.55 -0.31 0.00 0.00 175.10 178.39 1wsa h PRO 42 N 7.48 0.34 -1.47 4.82 0.13 -1.66 -3.02 132.00 138.62 1wsa h PRO 42 Ca -0.02 -0.02 0.44 0.00 -0.87 0.00 0.00 66.00 65.54 1wsa h PRO 42 Cb 1.05 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.01 1wsa h PRO 42 CO 0.26 0.22 1.02 0.00 -0.23 0.00 0.00 178.00 179.27 1wsa h ALA 43 N 1.65 3.14 -0.24 -0.56 0.00 -1.95 0.57 119.26 121.85 1wsa h ALA 43 Ca 0.37 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1wsa h ALA 43 Cb 0.93 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1wsa h ALA 43 CO -0.11 -1.66 0.16 0.82 0.00 0.00 0.00 179.25 178.46 1wsa h ILE 44 N 0.07 1.06 0.00 0.00 2.04 -1.89 -2.69 117.51 116.09 1wsa h ILE 44 Ca 0.78 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 66.50 1wsa h ILE 44 Cb 2.79 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1wsa h ILE 44 CO -0.19 0.06 -0.16 0.78 0.00 0.00 0.00 178.15 178.64 1wsa h ASN 45 N 0.32 0.00 0.88 1.72 2.35 -0.09 -2.49 115.58 118.26 1wsa h ASN 45 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1wsa h ASN 45 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1wsa h ASN 45 CO -0.02 0.16 -0.07 0.47 -1.65 0.00 0.00 177.43 176.32 1wsa n ASP 46 N -3.36 0.08 -0.00 5.81 8.00 -1.01 -3.91 116.55 122.16 1wsa n ASP 46 Ca -0.00 0.31 0.05 0.00 0.71 0.00 0.00 54.79 55.86 1wsa n ASP 46 Cb 0.37 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1wsa n ASP 46 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wsa n LEU 47 N -1.46 0.15 -3.44 0.64 4.77 -0.96 -5.06 117.00 111.64 1wsa n LEU 47 Ca 0.08 -0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1wsa n LEU 47 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1wsa n LEU 47 CO 0.28 0.04 0.45 0.00 -1.33 0.00 0.00 177.39 176.82 1wsa s ALA 48 N -2.45 -1.64 -0.42 -1.18 0.00 -1.10 -4.37 121.76 110.60 1wsa s ALA 48 Ca -0.01 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1wsa s ALA 48 Cb 0.07 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1wsa s ALA 48 CO 0.42 -0.74 0.44 0.99 0.00 0.00 0.00 175.76 176.87 1wsa s THR 49 N -3.51 5.08 -0.10 0.00 2.01 0.06 -4.54 115.64 114.64 1wsa s THR 49 Ca 0.01 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 1wsa s THR 49 Cb -0.01 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1wsa s THR 49 CO -0.11 -0.42 0.25 -0.63 -0.69 0.00 0.00 174.62 173.01 1wsa s ILE 50 N 2.15 5.32 0.01 1.82 1.01 -1.26 -1.60 121.20 128.64 1wsa s ILE 50 Ca 0.12 0.46 0.06 0.00 0.00 0.00 0.00 60.65 61.29 1wsa s ILE 50 Cb -0.17 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1wsa s ILE 50 CO 0.14 0.55 -0.17 -0.54 0.00 0.00 0.00 174.94 174.92 1wsa s LYS 51 N -0.61 2.24 0.19 2.79 -0.14 -0.25 -4.69 119.74 119.26 1wsa s LYS 51 Ca 0.17 -0.87 0.11 0.00 -1.36 0.00 0.00 55.97 54.01 1wsa s LYS 51 Cb -0.13 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.72 1wsa s LYS 51 CO 0.06 0.57 -0.22 0.20 -0.76 0.00 0.00 175.35 175.20 1wsa s GLY 52 N -1.17 1.63 -0.27 -3.33 0.00 0.04 -0.05 107.32 104.16 1wsa s GLY 52 Ca 0.14 -1.61 -0.15 0.00 0.00 0.00 0.00 44.72 43.10 1wsa s GLY 52 CO 0.04 -1.65 0.65 1.85 0.00 0.00 0.00 173.10 173.99 1wsa s GLU 53 N -2.76 0.66 -0.60 2.90 2.12 0.94 -3.15 118.70 118.83 1wsa s GLU 53 Ca 0.20 1.18 -0.21 0.00 0.36 0.00 0.00 54.97 56.50 1wsa s GLU 53 Cb -0.07 0.15 0.08 0.00 0.26 0.00 0.00 34.13 34.54 1wsa s GLU 53 CO 0.09 -0.15 0.80 -1.14 -0.54 0.00 0.00 175.26 174.32 1wsa s GLN 54 N 1.66 3.11 0.12 4.30 2.00 -1.26 -0.09 119.66 129.49 1wsa s GLN 54 Ca -0.10 -0.98 0.03 0.00 -2.00 0.00 0.00 55.36 52.30 1wsa s GLN 54 Cb -0.06 -4.20 -0.19 0.00 0.80 0.00 0.00 33.01 29.36 1wsa s GLN 54 CO -0.19 -1.57 1.26 0.97 -0.50 0.00 0.00 175.29 175.25 1wsa h ILE 55 N 5.94 1.60 -2.78 -2.34 6.09 -1.49 -3.48 117.51 121.05 1wsa h ILE 55 Ca -0.29 -3.15 0.06 0.00 -1.37 0.00 0.00 64.86 60.12 1wsa h ILE 55 Cb 1.08 2.80 -0.09 0.00 0.47 0.00 0.00 36.82 41.08 1wsa h ILE 55 CO 1.10 0.91 0.30 -0.94 -3.07 0.00 0.00 178.15 176.46 1wsa s SER 56 N -6.90 -0.37 -0.54 2.19 1.04 -1.22 -5.02 113.70 102.88 1wsa s SER 56 Ca -0.01 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1wsa s SER 56 Cb 0.09 0.59 0.17 0.00 0.10 0.00 0.00 66.02 66.97 1wsa s SER 56 CO 0.84 -1.04 0.39 -0.44 0.98 0.00 0.00 173.24 173.98 1wsa s SER 57 N -2.80 3.14 0.23 7.02 0.01 -1.18 -2.83 113.70 117.29 1wsa s SER 57 Ca 0.07 -3.34 -0.06 0.00 1.31 0.00 0.00 55.95 53.93 1wsa s SER 57 Cb -0.03 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 1wsa s SER 57 CO -0.03 -0.15 0.29 0.27 0.41 0.00 0.00 173.24 174.04 1wsa s ILE 58 N -0.53 0.00 0.40 1.44 -4.36 -0.68 -4.89 121.20 112.57 1wsa s ILE 58 Ca 0.28 -1.74 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 1wsa s ILE 58 Cb -0.03 -2.38 -0.07 0.00 1.25 0.00 0.00 42.46 41.22 1wsa s ILE 58 CO -0.16 0.00 0.80 -0.83 0.24 0.00 0.00 174.94 174.99 1wsa s GLY 59 N -3.11 2.08 0.39 6.27 0.00 -1.26 -4.18 107.32 107.51 1wsa s GLY 59 Ca 0.32 -0.06 0.27 0.00 0.00 0.00 0.00 44.72 45.26 1wsa s GLY 59 CO 0.11 0.15 1.83 1.48 0.00 0.00 0.00 173.10 176.68 1wsa h SER 60 N 1.50 0.00 1.34 1.64 4.64 -1.94 -1.39 113.55 119.35 1wsa h SER 60 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1wsa h SER 60 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wsa h SER 60 CO 0.64 0.00 0.00 0.06 -0.87 0.00 0.00 176.83 176.66 1wsa h GLN 61 N 0.00 0.00 -0.04 4.77 -0.00 -1.94 -2.68 115.11 115.21 1wsa h GLN 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1wsa h GLN 61 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 1wsa h GLN 61 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.22 1wsa n GLU 62 N -2.57 1.91 -1.53 0.06 1.02 -0.52 -4.95 120.64 114.05 1wsa n GLU 62 Ca 0.04 -1.32 -0.40 0.00 -0.02 0.00 0.00 57.16 55.45 1wsa n GLU 62 Cb 0.39 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1wsa n GLU 62 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1wsa n MET 63 N 0.60 0.88 -4.19 3.49 2.81 -1.01 -4.99 117.12 114.72 1wsa n MET 63 Ca 0.17 0.33 -0.11 0.00 -1.81 0.00 0.00 57.70 56.27 1wsa n MET 63 Cb 0.44 -1.82 -0.10 0.00 -0.71 0.00 0.00 33.22 31.03 1wsa n MET 63 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wsa s THR 64 N -1.45 0.11 0.33 2.03 -4.23 -1.26 -5.05 115.64 106.13 1wsa s THR 64 Ca 0.66 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1wsa s THR 64 Cb -0.54 -2.30 0.26 0.00 1.34 0.00 0.00 72.50 71.26 1wsa s THR 64 CO 0.55 -0.22 1.99 1.23 -0.54 0.00 0.00 174.62 177.63 1wsa h GLY 65 N 2.71 1.00 2.00 3.99 0.00 -1.99 -2.30 103.07 108.48 1wsa h GLY 65 Ca -0.36 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1wsa h GLY 65 CO 0.57 0.37 -0.34 0.50 0.00 0.00 0.00 176.54 177.63 1wsa h LYS 66 N 0.96 0.00 -0.16 4.80 1.57 -1.96 0.34 116.57 122.12 1wsa h LYS 66 Ca 0.26 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.83 1wsa h LYS 66 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1wsa h LYS 66 CO -0.05 0.34 -0.72 0.28 -0.57 0.00 0.00 179.45 178.73 1wsa h VAL 67 N 0.00 1.30 -0.11 0.50 2.07 -1.84 -2.21 116.25 115.95 1wsa h VAL 67 Ca -0.00 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1wsa h VAL 67 Cb 0.66 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1wsa h VAL 67 CO 0.04 0.62 0.07 -0.50 0.02 0.00 0.00 177.57 177.82 1wsa h TRP 68 N 0.49 0.14 -0.17 1.57 6.55 -0.86 -0.96 115.95 122.72 1wsa h TRP 68 Ca -0.03 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.82 1wsa h TRP 68 Cb 1.33 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 29.57 1wsa h TRP 68 CO 0.07 0.11 0.08 -0.07 -1.05 0.00 0.00 178.44 177.59 1wsa h LEU 69 N 0.13 0.13 -0.42 -4.49 3.38 -0.86 -2.60 115.31 110.58 1wsa h LEU 69 Ca 0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1wsa h LEU 69 Cb 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1wsa h LEU 69 CO -0.01 0.10 0.22 0.50 0.09 0.00 0.00 178.44 179.34 1wsa h LYS 70 N 0.18 0.43 0.51 1.13 3.64 -1.25 -1.78 116.57 119.44 1wsa h LYS 70 Ca 0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1wsa h LYS 70 Cb 0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1wsa h LYS 70 CO -0.04 0.29 -0.51 1.25 -2.27 0.00 0.00 179.45 178.16 1wsa h LEU 71 N 0.44 -1.39 -0.17 5.20 6.46 -1.12 -1.44 115.31 123.29 1wsa h LEU 71 Ca 0.17 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 58.09 1wsa h LEU 71 Cb 0.06 0.46 -0.06 0.00 -0.73 0.00 0.00 40.66 40.39 1wsa h LEU 71 CO -0.11 -0.67 -0.19 0.00 -0.62 0.00 0.00 178.44 176.85 1wsa h ALA 72 N -0.87 -0.10 -0.92 1.25 0.00 -1.44 0.68 119.26 117.86 1wsa h ALA 72 Ca -0.06 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1wsa h ALA 72 Cb 0.88 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1wsa h ALA 72 CO -0.06 -0.63 0.59 0.87 0.00 0.00 0.00 179.25 180.01 1wsa h LYS 73 N -0.22 0.67 -0.06 0.00 1.57 -1.23 -0.84 116.57 116.45 1wsa h LYS 73 Ca 0.11 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.64 1wsa h LYS 73 Cb 0.39 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1wsa h LYS 73 CO -0.30 0.44 -0.85 -0.09 -0.57 0.00 0.00 179.45 178.08 1wsa h ARG 74 N 0.69 0.53 -0.29 3.15 9.65 -0.30 -2.77 114.38 125.03 1wsa h ARG 74 Ca 0.48 -0.49 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 1wsa h ARG 74 Cb 0.80 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.48 1wsa h ARG 74 CO -0.23 1.12 -0.18 0.28 2.80 0.00 0.00 179.97 183.75 1wsa h VAL 75 N 0.33 1.25 -0.15 0.20 2.07 0.33 -1.59 116.25 118.69 1wsa h VAL 75 Ca -0.06 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 1wsa h VAL 75 Cb 1.46 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1wsa h VAL 75 CO 0.15 0.38 -0.37 0.78 0.02 0.00 0.00 177.57 178.53 1wsa h ASN 76 N 0.48 0.34 -0.14 0.57 2.35 -1.17 -0.90 115.58 117.11 1wsa h ASN 76 Ca 0.08 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1wsa h ASN 76 Cb 0.59 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1wsa h ASN 76 CO 0.04 0.69 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.84 1wsa h GLU 77 N 0.28 0.47 -0.29 0.81 5.08 -1.19 -3.02 114.58 116.72 1wsa h GLU 77 Ca 0.03 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1wsa h GLU 77 Cb 0.79 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1wsa h GLU 77 CO 0.06 0.93 0.19 -0.07 -1.00 0.00 0.00 179.01 179.13 1wsa h LEU 78 N 0.08 0.34 -0.71 1.33 3.38 -1.17 -3.10 115.31 115.47 1wsa h LEU 78 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wsa h LEU 78 Cb 0.94 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1wsa h LEU 78 CO 0.07 0.25 0.00 -0.07 0.09 0.00 0.00 178.44 178.79 1wsa h LEU 79 N 0.39 0.00 -0.33 1.67 4.07 -1.23 -2.64 115.31 117.24 1wsa h LEU 79 Ca 0.11 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.93 1wsa h LEU 79 Cb -0.04 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1wsa h LEU 79 CO -0.02 0.00 -0.66 0.00 -1.08 0.00 0.00 178.44 176.67 1wsa h ALA 80 N 2.26 0.69 -2.58 1.53 0.00 -1.44 -3.45 119.26 116.26 1wsa h ALA 80 Ca 0.00 -0.60 -0.53 0.00 0.00 0.00 0.00 54.91 53.78 1wsa h ALA 80 Cb 0.45 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1wsa h ALA 80 CO 0.00 0.83 0.69 -0.65 0.00 0.00 0.00 179.25 180.12 1wsa s GLN 81 N -3.13 4.35 0.36 0.00 -0.21 -1.00 -4.92 119.66 115.12 1wsa s GLN 81 Ca 0.01 2.05 0.11 0.00 0.02 0.00 0.00 55.36 57.55 1wsa s GLN 81 Cb 0.10 -3.24 0.68 0.00 1.00 0.00 0.00 33.01 31.56 1wsa s GLN 81 CO 0.76 -0.37 1.82 1.57 -2.12 0.00 0.00 175.29 176.95 1wsa h LYS 82 N 6.36 0.10 0.00 2.91 2.10 -1.86 -2.72 116.57 123.46 1wsa h LYS 82 Ca -0.43 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.16 1wsa h LYS 82 Cb 1.21 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1wsa h LYS 82 CO 0.83 0.42 -0.14 1.05 -2.00 0.00 0.00 179.45 179.61 1wsa h GLU 83 N 0.09 0.00 -5.75 0.07 9.09 -1.92 -3.42 114.58 112.75 1wsa h GLU 83 Ca 0.01 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.82 1wsa h GLU 83 Cb 0.62 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.62 1wsa h GLU 83 CO 0.05 0.14 0.38 0.99 0.05 0.00 0.00 179.01 180.62 1wsa s THR 84 N -3.73 4.81 -0.12 -1.06 2.01 -1.03 -4.11 115.64 112.41 1wsa s THR 84 Ca 0.00 1.21 -0.04 0.00 0.31 0.00 0.00 61.69 63.17 1wsa s THR 84 Cb 0.10 -4.13 -0.26 0.00 0.01 0.00 0.00 72.50 68.23 1wsa s THR 84 CO 0.60 -0.21 0.38 -0.62 -0.69 0.00 0.00 174.62 174.07 1wsa n GLU 85 N 6.15 0.74 -3.97 4.92 -0.58 -0.27 -4.86 120.64 122.78 1wsa n GLU 85 Ca 0.03 0.26 -0.11 0.00 -0.42 0.00 0.00 57.16 56.93 1wsa n GLU 85 Cb 0.48 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 1wsa n GLU 85 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wsa s ALA 86 N -2.56 -0.09 -0.04 0.62 0.00 -1.25 -4.27 121.76 114.17 1wsa s ALA 86 Ca -0.21 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1wsa s ALA 86 Cb 0.07 0.98 0.03 0.00 0.00 0.00 0.00 23.12 24.20 1wsa s ALA 86 CO 0.77 -0.88 0.04 0.08 0.00 0.00 0.00 175.76 175.77 1wsa s VAL 87 N -3.21 -0.02 -0.14 0.00 1.01 -0.98 -3.01 120.40 114.04 1wsa s VAL 87 Ca 0.23 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 1wsa s VAL 87 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1wsa s VAL 87 CO 0.14 0.17 -0.01 -0.63 0.00 0.00 0.00 175.10 174.76 1wsa s ILE 88 N 1.83 4.13 -0.24 2.22 1.01 -0.60 -0.63 121.20 128.92 1wsa s ILE 88 Ca 0.01 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1wsa s ILE 88 Cb -0.12 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.59 1wsa s ILE 88 CO -0.03 0.52 -0.11 -0.63 0.00 0.00 0.00 174.94 174.69 1wsa s ILE 89 N 0.03 2.42 -0.08 2.92 1.01 0.20 -1.15 121.20 126.55 1wsa s ILE 89 Ca 0.02 -1.26 -0.26 0.00 0.00 0.00 0.00 60.65 59.14 1wsa s ILE 89 Cb -0.13 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1wsa s ILE 89 CO 0.02 0.17 0.83 0.42 0.00 0.00 0.00 174.94 176.39 1wsa s THR 90 N 1.23 4.94 0.03 2.92 -4.23 -0.88 -0.49 115.64 119.16 1wsa s THR 90 Ca -0.03 1.70 -0.09 0.00 -1.18 0.00 0.00 61.69 62.10 1wsa s THR 90 Cb -0.17 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.51 1wsa s THR 90 CO -0.06 0.15 0.18 -2.28 -0.54 0.00 0.00 174.62 172.06 1wsa s HIS 91 N 1.32 0.07 0.52 3.99 5.04 -0.65 -2.15 115.29 123.43 1wsa s HIS 91 Ca 0.42 -0.28 -0.19 0.00 -1.54 0.00 0.00 55.06 53.47 1wsa s HIS 91 Cb -0.18 -0.04 -0.07 0.00 0.04 0.00 0.00 32.58 32.33 1wsa s HIS 91 CO 0.19 -0.41 1.06 0.20 -2.34 0.00 0.00 174.74 173.44 1wsa s GLY 92 N -2.01 2.46 0.19 1.59 0.00 -1.26 -4.25 107.32 104.04 1wsa s GLY 92 Ca -0.06 0.62 -0.06 0.00 0.00 0.00 0.00 44.72 45.21 1wsa s GLY 92 CO -0.03 0.94 1.58 -0.91 0.00 0.00 0.00 173.10 174.68 1wsa h THR 93 N 1.26 1.27 -0.99 0.90 1.35 -1.95 -3.18 112.91 111.58 1wsa h THR 93 Ca -0.49 -1.42 0.26 0.00 -0.55 0.00 0.00 66.41 64.21 1wsa h THR 93 Cb 1.23 1.27 -0.19 0.00 -1.73 0.00 0.00 68.15 68.73 1wsa h THR 93 CO 0.58 0.48 -0.03 0.44 -0.25 0.00 0.00 175.52 176.74 1wsa h ASP 94 N 0.71 -0.57 0.00 5.36 3.32 -1.93 -2.06 116.42 121.25 1wsa h ASP 94 Ca 0.08 0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 1wsa h ASP 94 Cb 0.82 0.52 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1wsa h ASP 94 CO 0.07 -0.36 -0.13 0.35 -1.72 0.00 0.00 179.24 177.45 1wsa n THR 95 N -5.52 1.58 -0.33 0.35 -2.24 -1.26 -4.77 114.28 102.10 1wsa n THR 95 Ca 0.22 -1.96 0.08 0.00 -2.27 0.00 0.00 64.05 60.11 1wsa n THR 95 Cb 0.72 -0.10 0.27 0.00 -2.10 0.00 0.00 70.33 69.11 1wsa n THR 95 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1wsa h MET 96 N 0.09 0.91 -0.00 -0.78 -1.53 -1.34 -1.75 114.93 110.53 1wsa h MET 96 Ca -0.00 -0.05 -0.05 0.00 -3.44 0.00 0.00 59.70 56.16 1wsa h MET 96 Cb 1.08 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.92 1wsa h MET 96 CO 0.00 0.60 -0.22 1.05 0.14 0.00 0.00 176.91 178.49 1wsa h GLU 97 N 0.94 0.00 0.18 0.39 4.11 -1.86 0.15 114.58 118.48 1wsa h GLU 97 Ca 0.47 -0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.59 1wsa h GLU 97 Cb 0.48 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.76 1wsa h GLU 97 CO -0.23 0.22 -1.34 0.93 0.07 0.00 0.00 179.01 178.67 1wsa h GLU 98 N 0.00 0.48 0.05 1.06 5.08 -1.69 -2.07 114.58 117.50 1wsa h GLU 98 Ca -0.00 -0.76 -0.00 0.00 -1.00 0.00 0.00 59.36 57.60 1wsa h GLU 98 Cb 0.39 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1wsa h GLU 98 CO 0.03 1.35 -0.02 1.15 -1.00 0.00 0.00 179.01 180.52 1wsa h THR 99 N 0.16 1.13 -0.21 1.13 2.02 -1.21 -1.95 112.91 113.98 1wsa h THR 99 Ca -0.20 -0.59 0.04 0.00 0.77 0.00 0.00 66.41 66.43 1wsa h THR 99 Cb 2.03 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 69.92 1wsa h THR 99 CO 0.24 0.15 -0.03 0.00 0.37 0.00 0.00 175.52 176.25 1wsa h ALA 100 N 0.61 0.16 -0.38 6.16 0.00 -0.79 -1.29 119.26 123.73 1wsa h ALA 100 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wsa h ALA 100 Cb 0.29 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wsa h ALA 100 CO 0.01 -0.45 0.23 0.35 0.00 0.00 0.00 179.25 179.39 1wsa h PHE 101 N 0.03 0.49 0.13 0.00 3.57 -1.38 -1.30 116.94 118.48 1wsa h PHE 101 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1wsa h PHE 101 Cb 0.14 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1wsa h PHE 101 CO -0.21 0.32 -0.06 0.35 -2.23 0.00 0.00 178.31 176.48 1wsa h PHE 102 N 0.52 -0.17 -0.62 0.41 3.57 -0.50 -3.10 116.94 117.05 1wsa h PHE 102 Ca 0.14 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1wsa h PHE 102 Cb -0.03 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1wsa h PHE 102 CO 0.00 0.26 0.41 -0.07 -2.23 0.00 0.00 178.31 176.68 1wsa h LEU 103 N -0.67 0.63 -2.17 0.59 3.38 -1.08 -2.19 115.31 113.80 1wsa h LEU 103 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wsa h LEU 103 Cb 0.50 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wsa h LEU 103 CO 0.03 0.43 -0.04 -1.13 0.09 0.00 0.00 178.44 177.82 1wsa h ASN 104 N 0.73 0.00 -0.39 -0.43 -0.00 -1.17 0.55 115.58 114.87 1wsa h ASN 104 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.55 1wsa h ASN 104 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1wsa h ASN 104 CO -0.07 0.04 0.00 0.18 -0.00 0.00 0.00 177.43 177.58 1wsa n LEU 105 N -4.07 3.09 0.00 0.34 4.32 -0.87 0.51 117.00 120.32 1wsa n LEU 105 Ca -0.03 -1.78 0.00 0.00 -0.02 0.00 0.00 56.01 54.18 1wsa n LEU 105 Cb 0.12 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1wsa n LEU 105 CO 0.31 0.74 -0.11 1.07 -1.22 0.00 0.00 177.39 178.18 1wsa n THR 106 N 0.92 0.00 -3.31 -5.08 5.66 -0.21 -4.26 114.28 108.00 1wsa n THR 106 Ca 0.15 -0.11 -0.38 0.00 -3.05 0.00 0.00 64.05 60.65 1wsa n THR 106 Cb 0.48 0.62 -0.07 0.00 -1.55 0.00 0.00 70.33 69.81 1wsa n THR 106 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1wsa s VAL 107 N -0.65 5.16 -1.04 1.08 1.01 0.18 -4.76 120.40 121.37 1wsa s VAL 107 Ca 0.00 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1wsa s VAL 107 Cb 0.00 -3.80 0.30 0.00 0.00 0.00 0.00 36.38 32.88 1wsa s VAL 107 CO 0.00 0.25 1.38 0.29 0.00 0.00 0.00 175.10 177.02 1wsa n LYS 108 N 4.30 4.21 -3.56 2.72 4.76 -1.26 -3.42 118.16 125.92 1wsa n LYS 108 Ca -0.06 -4.56 -0.09 0.00 -2.87 0.00 0.00 58.31 50.73 1wsa n LYS 108 Cb 0.51 -2.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.18 1wsa n LYS 108 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wsa s SER 109 N -1.65 -0.32 0.00 4.39 0.15 -1.26 -4.92 113.70 110.09 1wsa s SER 109 Ca 0.32 0.20 0.23 0.00 0.70 0.00 0.00 55.95 57.40 1wsa s SER 109 Cb 0.05 0.30 0.12 0.00 -1.71 0.00 0.00 66.02 64.78 1wsa s SER 109 CO 0.08 -0.41 1.18 0.00 1.20 0.00 0.00 173.24 175.30 1wsa n GLN 110 N 0.29 1.92 -2.10 5.44 10.64 -1.26 -4.46 117.38 127.85 1wsa n GLN 110 Ca -0.08 -1.60 -0.39 0.00 -1.83 0.00 0.00 57.00 53.10 1wsa n GLN 110 Cb 0.59 -1.45 -0.00 0.00 -0.86 0.00 0.00 30.24 28.52 1wsa n GLN 110 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1wsa s LYS 111 N -2.09 3.86 0.40 2.61 1.02 -1.26 0.10 119.74 124.38 1wsa s LYS 111 Ca 0.24 2.04 -0.27 0.00 0.02 0.00 0.00 55.97 58.00 1wsa s LYS 111 Cb 0.19 -2.63 -0.10 0.00 -0.52 0.00 0.00 37.83 34.77 1wsa s LYS 111 CO 0.37 -0.54 1.46 -2.14 -0.92 0.00 0.00 175.35 173.58 1wsa s PRO 112 N -2.39 3.98 -0.23 -1.68 0.02 -1.26 -4.82 135.00 128.62 1wsa s PRO 112 Ca 0.60 2.50 0.01 0.00 0.02 0.00 0.00 61.00 64.13 1wsa s PRO 112 Cb -0.35 -2.87 0.05 0.00 0.02 0.00 0.00 34.50 31.35 1wsa s PRO 112 CO 0.44 -0.61 -0.09 0.08 -0.33 0.00 0.00 177.00 176.50 1wsa s VAL 113 N -1.15 1.75 -0.14 3.83 1.01 -1.26 -2.33 120.40 122.12 1wsa s VAL 113 Ca 0.55 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1wsa s VAL 113 Cb -0.45 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1wsa s VAL 113 CO 0.60 0.02 -0.15 -0.69 0.00 0.00 0.00 175.10 174.89 1wsa s VAL 114 N 1.31 2.83 -0.18 2.92 1.01 0.20 -1.93 120.40 126.56 1wsa s VAL 114 Ca -0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1wsa s VAL 114 Cb -0.18 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1wsa s VAL 114 CO -0.07 0.52 0.02 -0.76 0.00 0.00 0.00 175.10 174.82 1wsa s LEU 115 N 0.51 3.53 0.11 3.92 1.02 -0.52 0.58 118.68 127.82 1wsa s LEU 115 Ca -0.10 -0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.04 1wsa s LEU 115 Cb -0.16 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 1wsa s LEU 115 CO 0.04 0.14 -0.10 0.54 0.02 0.00 0.00 176.35 176.99 1wsa s VAL 116 N 0.56 1.00 0.02 -1.59 0.11 0.36 -1.73 120.40 119.14 1wsa s VAL 116 Ca 0.01 -1.77 -0.01 0.00 -2.93 0.00 0.00 61.98 57.29 1wsa s VAL 116 Cb -0.14 -1.51 0.00 0.00 -1.53 0.00 0.00 36.38 33.21 1wsa s VAL 116 CO 0.02 -0.62 0.04 0.61 -3.33 0.00 0.00 175.10 171.82 1wsa n GLY 117 N 0.33 2.32 2.80 6.54 0.00 -1.26 -1.63 105.19 114.30 1wsa n GLY 117 Ca -0.14 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 1wsa n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsa s ALA 118 N -1.25 0.13 0.04 4.61 0.00 -1.26 -4.61 121.76 119.42 1wsa s ALA 118 Ca 0.01 0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.42 1wsa s ALA 118 Cb -0.00 -0.22 0.76 0.00 0.00 0.00 0.00 23.12 23.66 1wsa s ALA 118 CO 0.01 -0.08 1.76 0.52 0.00 0.00 0.00 175.76 177.97 1wsa h MET 119 N 7.07 0.00 -6.66 0.00 2.86 -1.91 -3.44 114.93 112.85 1wsa h MET 119 Ca -0.41 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.56 1wsa h MET 119 Cb 1.14 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.62 1wsa h MET 119 CO 0.49 0.24 -0.79 1.03 1.06 0.00 0.00 176.91 178.94 1wsa s ARG 120 N -3.51 1.81 0.69 1.72 0.52 -1.26 -4.99 118.95 113.94 1wsa s ARG 120 Ca 0.02 -1.23 -0.16 0.00 -0.52 0.00 0.00 55.73 53.84 1wsa s ARG 120 Cb 0.09 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.48 1wsa s ARG 120 CO 0.65 0.46 1.24 -1.25 0.02 0.00 0.00 175.30 176.43 1wsa s PRO 121 N -2.32 2.32 0.51 3.54 0.05 -1.26 -4.55 135.00 133.29 1wsa s PRO 121 Ca 0.19 1.88 0.20 0.00 0.05 0.00 0.00 61.00 63.33 1wsa s PRO 121 Cb -0.10 -1.84 1.31 0.00 0.05 0.00 0.00 34.50 33.92 1wsa s PRO 121 CO 0.11 -1.72 2.11 0.78 0.05 0.00 0.00 177.00 178.32 1wsa h GLY 122 N 0.08 0.00 2.00 0.56 0.00 -1.76 0.08 103.07 104.03 1wsa h GLY 122 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1wsa h GLY 122 CO 0.51 0.00 -0.11 1.48 0.00 0.00 0.00 176.54 178.42 1wsa h SER 123 N 0.00 0.00 -4.17 0.19 4.64 -1.90 -3.32 113.55 109.00 1wsa h SER 123 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1wsa h SER 123 Cb 0.15 0.00 0.20 0.00 -0.31 0.00 0.00 62.40 62.44 1wsa h SER 123 CO 0.01 0.11 0.21 -0.55 -0.87 0.00 0.00 176.83 175.74 1wsa s SER 124 N -6.12 2.76 0.29 4.97 0.15 0.01 -4.99 113.70 110.78 1wsa s SER 124 Ca 0.04 2.11 -0.22 0.00 0.70 0.00 0.00 55.95 58.58 1wsa s SER 124 Cb 0.07 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.75 1wsa s SER 124 CO 0.64 -3.19 0.84 -0.32 1.20 0.00 0.00 173.24 172.41 1wsa s MET 125 N -4.64 4.39 -1.45 5.44 -2.45 -1.26 -3.48 119.30 115.86 1wsa s MET 125 Ca 0.67 1.09 -0.08 0.00 -1.25 0.00 0.00 55.69 56.11 1wsa s MET 125 Cb -0.23 -2.78 0.05 0.00 1.25 0.00 0.00 34.83 33.13 1wsa s MET 125 CO 0.59 0.30 0.84 0.43 1.05 0.00 0.00 175.02 178.23 1wsa n SER 126 N 0.51 -3.18 -4.71 1.11 7.64 -1.26 -4.86 113.62 108.87 1wsa n SER 126 Ca 0.01 -0.81 -0.42 0.00 1.01 0.00 0.00 58.87 58.65 1wsa n SER 126 Cb 0.51 -3.88 -0.03 0.00 -1.01 0.00 0.00 64.21 59.80 1wsa n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wsa s ALA 127 N -3.48 3.79 -0.30 -0.43 0.00 -1.23 -4.92 121.76 115.19 1wsa s ALA 127 Ca 0.38 1.38 0.19 0.00 0.00 0.00 0.00 51.96 53.92 1wsa s ALA 127 Cb -0.19 -3.64 0.19 0.00 0.00 0.00 0.00 23.12 19.47 1wsa s ALA 127 CO 0.83 -0.84 1.48 0.38 0.00 0.00 0.00 175.76 177.60 1wsa h ASP 128 N 7.01 0.00 -0.71 0.00 2.03 -1.86 -3.38 116.42 119.50 1wsa h ASP 128 Ca -0.43 0.00 0.10 0.00 -0.73 0.00 0.00 57.03 55.97 1wsa h ASP 128 Cb 1.20 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.63 1wsa h ASP 128 CO 0.92 0.23 0.35 1.23 -1.03 0.00 0.00 179.24 180.94 1wsa h GLY 129 N 3.78 1.07 0.47 7.15 0.00 -1.80 -2.54 103.07 111.20 1wsa h GLY 129 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1wsa h GLY 129 CO 0.03 0.04 -0.44 -2.55 0.00 0.00 0.00 176.54 173.62 1wsa h PRO 130 N 0.59 -0.80 -0.98 4.80 0.11 -1.75 -0.26 132.00 133.69 1wsa h PRO 130 Ca 0.36 0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.58 1wsa h PRO 130 Cb 0.39 0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.62 1wsa h PRO 130 CO -0.28 -0.54 0.64 1.98 -0.21 0.00 0.00 178.00 179.59 1wsa h MET 131 N -0.84 1.15 -0.33 1.05 1.85 -1.82 -1.71 114.93 114.28 1wsa h MET 131 Ca -0.03 -0.07 -0.09 0.00 -0.61 0.00 0.00 59.70 58.91 1wsa h MET 131 Cb 0.77 -0.26 -0.02 0.00 0.43 0.00 0.00 31.60 32.52 1wsa h MET 131 CO -0.12 0.76 -0.16 -0.91 -0.40 0.00 0.00 176.91 176.08 1wsa h ASN 132 N 1.18 0.59 -0.07 1.39 2.35 -1.11 -1.98 115.58 117.93 1wsa h ASN 132 Ca 0.41 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1wsa h ASN 132 Cb 0.12 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1wsa h ASN 132 CO -0.15 0.77 0.01 0.25 -1.65 0.00 0.00 177.43 176.65 1wsa h LEU 133 N 0.54 0.11 -0.27 1.61 6.46 -0.29 -0.59 115.31 122.88 1wsa h LEU 133 Ca 0.09 -0.27 0.03 0.00 -0.12 0.00 0.00 57.88 57.60 1wsa h LEU 133 Cb 0.59 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1wsa h LEU 133 CO 0.04 0.36 0.09 0.22 -0.62 0.00 0.00 178.44 178.53 1wsa h TYR 134 N -0.14 0.17 -0.14 1.25 3.20 -1.20 -1.15 116.97 118.96 1wsa h TYR 134 Ca 0.02 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1wsa h TYR 134 Cb 0.30 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1wsa h TYR 134 CO 0.02 0.08 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.49 1wsa h ASN 135 N 0.22 0.24 -0.36 -2.11 2.35 -1.36 -2.78 115.58 111.78 1wsa h ASN 135 Ca 0.12 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 1wsa h ASN 135 Cb 0.09 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1wsa h ASN 135 CO -0.12 0.46 -0.22 0.00 -1.65 0.00 0.00 177.43 175.90 1wsa h ALA 136 N 1.56 0.81 -0.63 -0.83 0.00 -0.22 -2.37 119.26 117.58 1wsa h ALA 136 Ca 0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1wsa h ALA 136 Cb 0.51 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1wsa h ALA 136 CO 0.03 0.65 0.12 0.28 0.00 0.00 0.00 179.25 180.33 1wsa h VAL 137 N 0.74 1.25 -0.78 0.00 2.07 -0.98 -2.17 116.25 116.38 1wsa h VAL 137 Ca 0.10 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1wsa h VAL 137 Cb 0.76 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1wsa h VAL 137 CO 0.06 0.36 0.29 0.78 0.02 0.00 0.00 177.57 179.09 1wsa h ASN 138 N 0.96 1.10 -0.37 0.57 2.35 -1.37 -1.55 115.58 117.28 1wsa h ASN 138 Ca 0.20 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 1wsa h ASN 138 Cb 0.39 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1wsa h ASN 138 CO 0.01 0.99 -0.33 0.58 -1.65 0.00 0.00 177.43 177.02 1wsa h VAL 139 N 1.15 1.27 -0.29 2.81 2.07 -1.36 -2.47 116.25 119.42 1wsa h VAL 139 Ca 0.26 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.19 1wsa h VAL 139 Cb 0.24 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1wsa h VAL 139 CO -0.02 0.50 -0.19 0.00 0.02 0.00 0.00 177.57 177.89 1wsa h ALA 140 N 0.86 1.13 -0.10 1.67 0.00 -0.94 -2.88 119.26 119.00 1wsa h ALA 140 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wsa h ALA 140 Cb 0.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wsa h ALA 140 CO 0.08 0.54 0.00 0.44 0.00 0.00 0.00 179.25 180.32 1wsa n ILE 141 N -4.15 0.11 -3.03 0.00 -5.35 -0.62 -4.60 119.36 101.72 1wsa n ILE 141 Ca 0.00 -0.39 -0.37 0.00 -0.27 0.00 0.00 62.75 61.72 1wsa n ILE 141 Cb 0.37 0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 38.96 1wsa n ILE 141 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1wsa s ASN 142 N -1.83 7.19 0.11 7.28 3.84 -0.94 -4.99 114.94 125.61 1wsa s ASN 142 Ca 0.34 1.53 -0.22 0.00 0.21 0.00 0.00 52.86 54.73 1wsa s ASN 142 Cb 0.20 -2.46 -0.09 0.00 -0.55 0.00 0.00 41.25 38.35 1wsa s ASN 142 CO 0.31 0.08 1.72 0.50 -2.79 0.00 0.00 177.10 176.92 1wsa h LYS 143 N 3.70 -0.03 0.00 0.43 3.64 -1.91 -3.10 116.57 119.30 1wsa h LYS 143 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1wsa h LYS 143 Cb 1.20 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1wsa h LYS 143 CO 0.65 -0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 1wsa h ALA 144 N 1.06 1.00 0.00 5.00 0.00 -1.94 -2.67 119.26 121.71 1wsa h ALA 144 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1wsa h ALA 144 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wsa h ALA 144 CO -0.11 0.00 -0.16 0.77 0.00 0.00 0.00 179.25 179.75 1wsa h SER 145 N 0.00 0.00 -4.03 0.00 0.02 -1.80 -3.43 113.55 104.30 1wsa h SER 145 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1wsa h SER 145 Cb 0.11 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.78 1wsa h SER 145 CO 0.00 0.16 0.62 -0.89 -1.14 0.00 0.00 176.83 175.59 1wsa s THR 146 N -3.69 2.14 -0.76 -2.27 2.01 -1.01 -2.67 115.64 109.38 1wsa s THR 146 Ca 0.00 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1wsa s THR 146 Cb 0.10 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1wsa s THR 146 CO 0.61 0.00 0.00 -3.20 -0.69 0.00 0.00 174.62 171.34 1wsa n ASN 147 N -0.80 -5.12 0.07 3.53 2.85 0.12 -4.82 115.26 111.09 1wsa n ASN 147 Ca 0.09 0.18 0.12 0.00 -0.11 0.00 0.00 54.58 54.86 1wsa n ASN 147 Cb 0.44 -3.61 0.26 0.00 1.24 0.00 0.00 39.78 38.12 1wsa n ASN 147 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wsa n LYS 148 N -0.33 0.25 0.00 1.20 4.76 -1.09 -5.05 118.16 117.90 1wsa n LYS 148 Ca -0.07 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1wsa n LYS 148 Cb 0.50 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1wsa n LYS 148 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wsa n GLY 149 N 1.35 -2.39 3.75 0.72 0.00 -1.26 -4.76 105.19 102.60 1wsa n GLY 149 Ca 0.04 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1wsa n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wsa s VAL 150 N -0.31 3.36 0.13 1.61 1.01 -1.26 -4.43 120.40 120.52 1wsa s VAL 150 Ca 0.00 1.22 0.05 0.00 0.00 0.00 0.00 61.98 63.25 1wsa s VAL 150 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1wsa s VAL 150 CO 0.00 0.23 -0.12 0.68 0.00 0.00 0.00 175.10 175.89 1wsa s VAL 151 N -0.47 1.24 -0.08 2.92 -7.23 -0.81 -1.84 120.40 114.12 1wsa s VAL 151 Ca 0.51 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 1wsa s VAL 151 Cb -0.34 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1wsa s VAL 151 CO 0.40 -0.54 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.92 1wsa s ILE 152 N -2.56 3.36 -0.23 -0.62 1.01 -0.26 -1.43 121.20 120.45 1wsa s ILE 152 Ca 0.11 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1wsa s ILE 152 Cb -0.02 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 40.12 1wsa s ILE 152 CO 0.02 0.57 -0.12 -0.69 0.00 0.00 0.00 174.94 174.72 1wsa s VAL 153 N -0.40 2.32 -0.12 2.92 1.01 -0.70 -1.21 120.40 124.22 1wsa s VAL 153 Ca 0.05 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.61 1wsa s VAL 153 Cb -0.12 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1wsa s VAL 153 CO 0.02 0.19 0.38 -0.04 0.00 0.00 0.00 175.10 175.65 1wsa s MET 154 N 1.21 0.49 -1.19 2.72 -1.94 -0.99 -4.32 119.30 115.28 1wsa s MET 154 Ca -0.03 0.41 -0.21 0.00 -1.71 0.00 0.00 55.69 54.16 1wsa s MET 154 Cb -0.17 0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.91 1wsa s MET 154 CO -0.07 -0.08 0.72 -1.71 -0.01 0.00 0.00 175.02 173.87 1wsa n ASN 155 N 2.59 -4.46 -2.01 3.03 5.15 -1.26 -1.11 115.26 117.18 1wsa n ASN 155 Ca -0.14 -1.07 -0.15 0.00 -0.60 0.00 0.00 54.58 52.61 1wsa n ASN 155 Cb 0.57 -3.02 -0.03 0.00 -0.53 0.00 0.00 39.78 36.77 1wsa n ASN 155 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1wsa n ASP 156 N -2.62 -4.31 -4.16 1.20 8.00 -1.26 -4.96 116.55 108.44 1wsa n ASP 156 Ca -0.12 0.23 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1wsa n ASP 156 Cb 0.60 -3.76 -0.11 0.00 -0.02 0.00 0.00 41.12 37.83 1wsa n ASP 156 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wsa s GLU 157 N -4.30 0.80 -0.17 -1.24 2.02 -0.27 -2.62 118.70 112.93 1wsa s GLU 157 Ca 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1wsa s GLU 157 Cb 0.00 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.63 1wsa s GLU 157 CO 0.00 0.11 -0.16 0.42 0.02 0.00 0.00 175.26 175.65 1wsa s ILE 158 N -1.90 2.52 -0.02 -1.63 1.01 -0.55 -2.35 121.20 118.28 1wsa s ILE 158 Ca 0.01 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.93 1wsa s ILE 158 Cb -0.06 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1wsa s ILE 158 CO 0.01 0.51 -0.26 -1.00 0.00 0.00 0.00 174.94 174.21 1wsa s HIS 159 N 1.01 2.32 0.29 3.97 3.76 -0.35 -0.25 115.29 126.04 1wsa s HIS 159 Ca -0.02 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.16 1wsa s HIS 159 Cb -0.15 -1.49 -0.10 0.00 1.11 0.00 0.00 32.58 31.96 1wsa s HIS 159 CO -0.04 -0.03 1.12 0.00 -0.85 0.00 0.00 174.74 174.94 1wsa s ALA 160 N -0.61 3.40 0.29 -1.40 0.00 -1.26 -1.11 121.76 121.07 1wsa s ALA 160 Ca 0.10 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1wsa s ALA 160 Cb -0.10 -3.34 0.51 0.00 0.00 0.00 0.00 23.12 20.19 1wsa s ALA 160 CO -0.01 -0.21 1.88 0.00 0.00 0.00 0.00 175.76 177.42 1wsa h ALA 161 N 3.72 1.50 0.00 0.00 0.00 -1.72 -0.30 119.26 122.46 1wsa h ALA 161 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1wsa h ALA 161 Cb 1.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wsa h ALA 161 CO 0.67 0.33 -0.12 -0.09 0.00 0.00 0.00 179.25 180.03 1wsa h ARG 162 N 1.05 0.00 0.00 0.00 2.43 -1.92 -3.30 114.38 112.65 1wsa h ARG 162 Ca 0.44 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.59 1wsa h ARG 162 Cb 0.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1wsa h ARG 162 CO -0.19 0.12 -1.84 0.39 -1.51 0.00 0.00 179.97 176.94 1wsa n GLU 163 N -3.48 0.58 -2.15 0.20 -0.58 -0.23 -5.01 120.64 109.98 1wsa n GLU 163 Ca -0.01 -0.16 -0.38 0.00 -0.42 0.00 0.00 57.16 56.19 1wsa n GLU 163 Cb 0.28 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1wsa n GLU 163 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wsa s ALA 164 N -3.20 3.08 -0.20 0.62 0.00 -0.56 -4.09 121.76 117.41 1wsa s ALA 164 Ca -0.07 1.08 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 1wsa s ALA 164 Cb 0.11 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.86 1wsa s ALA 164 CO 0.74 -0.76 0.62 -0.08 0.00 0.00 0.00 175.76 176.28 1wsa s THR 165 N -1.40 0.00 -0.26 0.00 -1.32 -0.17 -4.87 115.64 107.61 1wsa s THR 165 Ca 0.61 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.78 1wsa s THR 165 Cb -0.33 -0.88 0.01 0.00 -1.51 0.00 0.00 72.50 69.79 1wsa s THR 165 CO 0.41 -0.01 1.03 -0.75 -2.21 0.00 0.00 174.62 173.09 1wsa s LYS 166 N 0.03 4.18 0.00 7.08 2.20 -1.26 -1.66 119.74 130.31 1wsa s LYS 166 Ca -0.02 1.21 0.09 0.00 -0.36 0.00 0.00 55.97 56.89 1wsa s LYS 166 Cb -0.04 -3.68 0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1wsa s LYS 166 CO 0.02 -0.72 0.67 1.28 -0.36 0.00 0.00 175.35 176.25 1wsa n LEU 167 N 6.49 1.40 -3.89 5.43 4.77 -0.45 -4.99 117.00 125.76 1wsa n LEU 167 Ca 0.11 -0.86 -0.11 0.00 -0.03 0.00 0.00 56.01 55.12 1wsa n LEU 167 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1wsa n LEU 167 CO 0.54 0.28 -0.31 0.21 -1.33 0.00 0.00 177.39 176.78 1wsa s ASN 168 N -1.04 0.04 0.31 -1.43 3.84 -1.24 -5.07 114.94 110.35 1wsa s ASN 168 Ca 0.09 -0.10 0.10 0.00 0.21 0.00 0.00 52.86 53.16 1wsa s ASN 168 Cb 0.07 0.10 0.48 0.00 -0.55 0.00 0.00 41.25 41.36 1wsa s ASN 168 CO 0.18 -0.12 1.69 0.71 -2.79 0.00 0.00 177.10 176.76 1wsa h THR 169 N 4.89 1.36 0.00 -5.21 1.35 -1.94 -3.42 112.91 109.95 1wsa h THR 169 Ca -0.27 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1wsa h THR 169 Cb 1.21 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1wsa h THR 169 CO 0.46 0.50 -0.51 0.35 -0.25 0.00 0.00 175.52 176.06 1wsa n THR 170 N -3.94 0.00 -1.85 6.82 -2.24 -1.26 -5.10 114.28 106.71 1wsa n THR 170 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1wsa n THR 170 Cb 0.53 -0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1wsa n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsa s ALA 171 N -1.25 3.57 0.46 6.98 0.00 -1.26 -4.89 121.76 125.36 1wsa s ALA 171 Ca 0.00 1.53 0.40 0.00 0.00 0.00 0.00 51.96 53.88 1wsa s ALA 171 Cb 0.00 -3.59 2.11 0.00 0.00 0.00 0.00 23.12 21.64 1wsa s ALA 171 CO 0.00 -0.99 2.22 -0.39 0.00 0.00 0.00 175.76 176.60 1wsa h VAL 172 N 2.99 0.00 -0.86 0.00 -1.51 -1.98 -0.57 116.25 114.32 1wsa h VAL 172 Ca -0.50 -0.07 -0.57 0.00 -1.23 0.00 0.00 66.70 64.33 1wsa h VAL 172 Cb 1.24 0.99 -0.30 0.00 -2.13 0.00 0.00 31.29 31.08 1wsa h VAL 172 CO 0.65 0.00 0.34 -0.46 -1.23 0.00 0.00 177.57 176.86 1wsa n ASN 173 N -2.95 5.93 -0.13 4.19 6.94 -1.26 -4.53 115.26 123.45 1wsa n ASN 173 Ca -0.02 -3.76 0.00 0.00 -0.02 0.00 0.00 54.58 50.78 1wsa n ASN 173 Cb 0.10 -0.77 0.27 0.00 -2.36 0.00 0.00 39.78 37.01 1wsa n ASN 173 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wsa h ALA 174 N 1.80 1.42 -2.71 -2.53 0.00 -1.41 -3.44 119.26 112.39 1wsa h ALA 174 Ca 0.51 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 54.81 1wsa h ALA 174 Cb 1.35 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wsa h ALA 174 CO 1.20 0.46 0.42 -0.06 0.00 0.00 0.00 179.25 181.27 1wsa s PHE 175 N -5.51 3.73 0.28 0.00 0.40 -1.26 -1.34 117.98 114.29 1wsa s PHE 175 Ca -0.10 1.74 -0.09 0.00 -0.60 0.00 0.00 56.93 57.89 1wsa s PHE 175 Cb 0.17 -3.16 -0.00 0.00 0.51 0.00 0.00 43.02 40.53 1wsa s PHE 175 CO 0.78 -0.17 0.47 0.00 0.70 0.00 0.00 175.22 176.99 1wsa s ALA 176 N -0.71 0.15 -0.50 5.36 0.00 -0.67 -4.95 121.76 120.44 1wsa s ALA 176 Ca 0.45 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1wsa s ALA 176 Cb -0.28 1.09 0.19 0.00 0.00 0.00 0.00 23.12 24.12 1wsa s ALA 176 CO 0.35 -0.82 0.45 0.43 0.00 0.00 0.00 175.76 176.16 1wsa n SER 177 N -0.76 0.88 -0.36 0.00 7.64 -1.26 -1.00 113.62 118.75 1wsa n SER 177 Ca -0.01 -2.73 0.28 0.00 1.01 0.00 0.00 58.87 57.42 1wsa n SER 177 Cb 0.62 -0.63 0.56 0.00 -1.01 0.00 0.00 64.21 63.75 1wsa n SER 177 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1wsa h PRO 178 N 5.17 0.27 0.00 1.43 0.13 -1.92 -2.54 132.00 134.54 1wsa h PRO 178 Ca 0.20 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.15 1wsa h PRO 178 Cb 0.84 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 1wsa h PRO 178 CO 0.51 0.18 -0.94 -0.91 -0.23 0.00 0.00 178.00 176.61 1wsa h ASN 179 N 0.28 0.00 0.00 1.44 2.35 -1.93 -3.46 115.58 114.26 1wsa h ASN 179 Ca 0.68 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.43 1wsa h ASN 179 Cb 1.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.26 1wsa h ASN 179 CO -0.35 0.70 0.00 0.35 -1.65 0.00 0.00 177.43 176.48 1wsa n THR 180 N -3.17 0.00 -0.50 2.81 -2.24 -0.98 -5.05 114.28 105.15 1wsa n THR 180 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1wsa n THR 180 Cb 0.84 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1wsa n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wsa n GLY 181 N 3.36 -1.16 3.73 3.38 0.00 -1.07 -4.87 105.19 108.56 1wsa n GLY 181 Ca 0.00 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1wsa n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wsa s LYS 182 N -1.68 2.38 0.15 1.61 -2.85 -1.26 -4.76 119.74 113.33 1wsa s LYS 182 Ca 0.00 1.76 0.23 0.00 -1.00 0.00 0.00 55.97 56.96 1wsa s LYS 182 Cb 0.00 -1.86 0.07 0.00 -2.06 0.00 0.00 37.83 33.98 1wsa s LYS 182 CO 0.00 -1.65 1.08 0.44 0.10 0.00 0.00 175.35 175.32 1wsa n ILE 183 N -2.42 0.46 -2.99 3.79 -5.35 0.65 -4.82 119.36 108.69 1wsa n ILE 183 Ca 0.13 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1wsa n ILE 183 Cb 0.50 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1wsa n ILE 183 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wsa n GLY 184 N 1.25 1.73 3.14 3.28 0.00 -1.10 -0.05 105.19 113.43 1wsa n GLY 184 Ca 0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 1wsa n GLY 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wsa s THR 185 N -2.66 0.18 -0.17 2.61 -4.23 -0.08 -1.48 115.64 109.81 1wsa s THR 185 Ca 0.00 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1wsa s THR 185 Cb 0.00 -1.40 0.07 0.00 1.34 0.00 0.00 72.50 72.51 1wsa s THR 185 CO 0.00 -0.83 0.16 0.54 -0.54 0.00 0.00 174.62 173.95 1wsa s VAL 186 N -3.81 -0.22 -0.28 2.29 0.11 -1.08 -1.52 120.40 115.90 1wsa s VAL 186 Ca 0.05 -0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1wsa s VAL 186 Cb 0.06 -0.58 0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1wsa s VAL 186 CO -0.10 -0.19 -0.03 -0.47 -3.33 0.00 0.00 175.10 170.98 1wsa s TYR 187 N 2.24 3.22 -1.37 1.54 5.04 -0.99 -4.38 117.35 122.65 1wsa s TYR 187 Ca 0.04 -1.86 -0.03 0.00 -2.44 0.00 0.00 57.07 52.79 1wsa s TYR 187 Cb -0.15 -2.07 -0.00 0.00 0.35 0.00 0.00 41.96 40.08 1wsa s TYR 187 CO -0.10 -0.80 0.47 0.66 -1.34 0.00 0.00 175.55 174.45 1wsa n TYR 188 N 4.61 -1.68 0.00 4.97 4.01 -1.26 -1.46 117.16 126.35 1wsa n TYR 188 Ca -0.14 0.71 0.00 0.00 -0.16 0.00 0.00 57.90 58.31 1wsa n TYR 188 Cb 0.44 -3.73 0.00 0.00 -0.31 0.00 0.00 39.34 35.74 1wsa n TYR 188 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wsa n GLY 189 N -1.94 3.02 3.55 2.72 0.00 -1.26 -4.99 105.19 106.30 1wsa n GLY 189 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1wsa n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wsa s LYS 190 N -0.22 2.98 0.00 1.61 2.20 -0.53 -4.80 119.74 120.98 1wsa s LYS 190 Ca 0.00 0.16 -0.20 0.00 -0.36 0.00 0.00 55.97 55.57 1wsa s LYS 190 Cb 0.00 -4.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.01 1wsa s LYS 190 CO 0.00 -2.36 0.56 0.54 -0.36 0.00 0.00 175.35 173.74 1wsa s VAL 191 N 7.07 4.90 0.01 4.02 0.11 -1.26 -2.34 120.40 132.91 1wsa s VAL 191 Ca 0.49 1.18 0.01 0.00 -2.93 0.00 0.00 61.98 60.73 1wsa s VAL 191 Cb -0.10 -3.90 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 1wsa s VAL 191 CO 0.18 0.45 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.77 1wsa s GLU 192 N -0.39 0.23 -0.02 1.54 0.41 -0.57 -5.00 118.70 114.89 1wsa s GLU 192 Ca 0.30 -0.28 0.07 0.00 -0.41 0.00 0.00 54.97 54.65 1wsa s GLU 192 Cb -0.18 -0.10 -0.02 0.00 -1.78 0.00 0.00 34.13 32.05 1wsa s GLU 192 CO 0.17 0.02 -0.22 0.71 -0.49 0.00 0.00 175.26 175.44 1wsa s TYR 193 N -0.54 1.98 -0.02 1.61 2.02 -1.26 -0.90 117.35 120.25 1wsa s TYR 193 Ca -0.04 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1wsa s TYR 193 Cb -0.04 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1wsa s TYR 193 CO -0.00 -0.03 0.03 1.19 -1.57 0.00 0.00 175.55 175.16 1wsa n PHE 194 N 2.53 0.00 -3.99 2.71 3.72 0.92 -4.97 117.46 118.38 1wsa n PHE 194 Ca -0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.12 1wsa n PHE 194 Cb 0.52 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.04 1wsa n PHE 194 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1wsa s THR 195 N -1.72 0.00 -0.04 4.37 -4.23 -0.86 -5.06 115.64 108.09 1wsa s THR 195 Ca -0.00 -1.38 -0.27 0.00 -1.18 0.00 0.00 61.69 58.86 1wsa s THR 195 Cb 0.01 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 71.14 1wsa s THR 195 CO 0.04 0.00 0.59 0.00 -0.54 0.00 0.00 174.62 174.71 1wsa s GLN 196 N -2.69 0.96 0.28 3.99 -2.07 -1.26 -4.81 119.66 114.07 1wsa s GLN 196 Ca 0.25 0.17 -0.30 0.00 -1.82 0.00 0.00 55.36 53.66 1wsa s GLN 196 Cb -0.02 0.45 -0.11 0.00 -1.09 0.00 0.00 33.01 32.24 1wsa s GLN 196 CO 0.18 -0.29 1.48 0.45 -1.32 0.00 0.00 175.29 175.79 1wsa s SER 197 N -1.20 6.55 0.00 12.60 0.15 -1.26 -4.89 113.70 125.65 1wsa s SER 197 Ca -0.11 2.79 0.23 0.00 0.70 0.00 0.00 55.95 59.56 1wsa s SER 197 Cb -0.01 -2.63 0.40 0.00 -1.71 0.00 0.00 66.02 62.06 1wsa s SER 197 CO 0.09 -0.77 1.38 1.33 1.20 0.00 0.00 173.24 176.47 1wsa n VAL 198 N 2.00 0.45 -3.48 4.45 0.24 -1.26 -4.92 118.33 115.81 1wsa n VAL 198 Ca 0.06 -0.73 -0.38 0.00 -2.04 0.00 0.00 64.34 61.26 1wsa n VAL 198 Cb 0.39 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.75 1wsa n VAL 198 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wsa s ARG 199 N -1.54 3.97 0.30 7.34 1.81 -1.26 -5.03 118.95 124.54 1wsa s ARG 199 Ca 0.38 0.41 -0.30 0.00 -1.72 0.00 0.00 55.73 54.50 1wsa s ARG 199 Cb 0.22 -3.25 -0.12 0.00 -0.45 0.00 0.00 34.95 31.36 1wsa s ARG 199 CO 0.32 0.63 1.46 -0.35 -0.68 0.00 0.00 175.30 176.67 1wsa n PRO 200 N 2.05 2.38 -4.04 3.54 -0.04 -1.26 -5.00 135.00 132.63 1wsa n PRO 200 Ca -0.13 0.84 -0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1wsa n PRO 200 Cb 0.52 -2.54 -0.04 0.00 -0.04 0.00 0.00 33.50 31.40 1wsa n PRO 200 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1wsa s HIS 201 N -0.42 0.79 0.00 0.54 -3.43 -1.26 -4.81 115.29 106.69 1wsa s HIS 201 Ca 0.62 -1.11 0.00 0.00 -0.80 0.00 0.00 55.06 53.77 1wsa s HIS 201 Cb -0.55 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 30.67 1wsa s HIS 201 CO 0.54 -1.14 0.00 0.25 -2.00 0.00 0.00 174.74 172.39 1wsa n THR 202 N -0.51 0.00 0.00 -5.38 -2.24 0.18 -1.51 114.28 104.83 1wsa n THR 202 Ca -0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1wsa n THR 202 Cb 0.62 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.37 1wsa n THR 202 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1wsa h LEU 203 N 0.00 0.29 -0.54 3.22 3.38 -1.77 0.32 115.31 120.21 1wsa h LEU 203 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wsa h LEU 203 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wsa h LEU 203 CO 0.00 0.19 -0.02 0.00 0.09 0.00 0.00 178.44 178.69 1wsa n ALA 204 N -2.53 2.66 -1.98 1.53 0.00 -0.57 -4.88 120.51 114.74 1wsa n ALA 204 Ca 0.06 -0.34 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1wsa n ALA 204 Cb 0.27 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1wsa n ALA 204 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wsa s SER 205 N -2.08 7.42 0.00 0.00 0.15 0.10 -4.67 113.70 114.62 1wsa s SER 205 Ca 0.40 1.68 0.30 0.00 0.70 0.00 0.00 55.95 59.03 1wsa s SER 205 Cb 0.21 -2.51 1.54 0.00 -1.71 0.00 0.00 66.02 63.54 1wsa s SER 205 CO 0.37 0.18 2.03 -1.84 1.20 0.00 0.00 173.24 175.18 1wsa n GLU 206 N 1.69 1.08 -3.20 5.44 0.28 -1.26 -4.86 120.64 119.81 1wsa n GLU 206 Ca -0.05 -0.29 -0.39 0.00 -0.16 0.00 0.00 57.16 56.27 1wsa n GLU 206 Cb 0.49 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.80 1wsa n GLU 206 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1wsa s PHE 207 N -2.12 3.41 -0.27 -1.84 0.08 -1.26 -5.05 117.98 110.93 1wsa s PHE 207 Ca 0.41 0.88 0.02 0.00 0.12 0.00 0.00 56.93 58.36 1wsa s PHE 207 Cb 0.21 -2.70 0.07 0.00 -0.57 0.00 0.00 43.02 40.03 1wsa s PHE 207 CO 0.39 -0.07 -0.05 0.34 -0.10 0.00 0.00 175.22 175.72 1wsa s ASP 208 N 1.06 4.29 0.00 1.36 2.15 -1.26 -4.59 116.67 119.68 1wsa s ASP 208 Ca 0.27 -1.48 0.30 0.00 0.43 0.00 0.00 52.55 52.06 1wsa s ASP 208 Cb -0.16 -1.41 1.40 0.00 -0.30 0.00 0.00 42.92 42.46 1wsa s ASP 208 CO 0.11 -0.25 1.95 2.30 -0.17 0.00 0.00 175.17 179.10 1wsa n ILE 209 N 4.50 0.00 -0.32 4.11 -6.64 -1.26 -4.48 119.36 115.27 1wsa n ILE 209 Ca -0.09 -0.07 0.13 0.00 -1.77 0.00 0.00 62.75 60.94 1wsa n ILE 209 Cb 0.43 -0.14 0.27 0.00 -1.44 0.00 0.00 39.64 38.76 1wsa n ILE 209 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 1wsa h SER 210 N 0.66 -0.36 -0.67 7.28 4.64 -1.95 -1.93 113.55 121.22 1wsa h SER 210 Ca 0.00 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1wsa h SER 210 Cb 0.28 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1wsa h SER 210 CO 0.00 -0.29 0.00 0.29 -0.87 0.00 0.00 176.83 175.96 1wsa n LYS 211 N -5.41 2.72 -3.28 4.77 4.76 -1.26 -4.95 118.16 115.51 1wsa n LYS 211 Ca 0.21 -2.58 -0.39 0.00 -2.87 0.00 0.00 58.31 52.68 1wsa n LYS 211 Cb 0.70 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 32.28 1wsa n LYS 211 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1wsa s ILE 212 N -1.04 5.13 -0.14 -0.18 1.01 -0.73 -4.96 121.20 120.30 1wsa s ILE 212 Ca 0.46 0.91 0.17 0.00 0.00 0.00 0.00 60.65 62.18 1wsa s ILE 212 Cb 0.24 -3.82 -0.24 0.00 0.01 0.00 0.00 42.46 38.65 1wsa s ILE 212 CO 0.32 0.20 0.34 -0.62 0.00 0.00 0.00 174.94 175.17 1wsa n GLU 213 N 4.69 0.66 -3.87 2.79 4.71 -1.26 -5.00 120.64 123.37 1wsa n GLU 213 Ca -0.05 0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 57.06 1wsa n GLU 213 Cb 0.51 -1.62 -0.12 0.00 -1.01 0.00 0.00 31.44 29.19 1wsa n GLU 213 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1wsa s GLU 214 N -2.64 0.26 0.05 3.49 2.56 -1.26 -4.91 118.70 116.25 1wsa s GLU 214 Ca -0.08 -0.12 -0.11 0.00 0.00 0.00 0.00 54.97 54.66 1wsa s GLU 214 Cb 0.07 0.11 -0.06 0.00 2.00 0.00 0.00 34.13 36.26 1wsa s GLU 214 CO 0.83 -0.05 0.40 -0.51 -0.56 0.00 0.00 175.26 175.37 1wsa s LEU 215 N -0.59 4.39 0.88 2.70 1.43 -1.26 -5.07 118.68 121.15 1wsa s LEU 215 Ca -0.07 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 1wsa s LEU 215 Cb -0.04 -2.84 0.12 0.00 0.03 0.00 0.00 46.19 43.45 1wsa s LEU 215 CO 0.00 0.22 1.10 -2.16 0.23 0.00 0.00 176.35 175.74 1wsa s PRO 216 N -1.63 1.40 -0.09 1.29 0.04 -1.26 -4.97 135.00 129.78 1wsa s PRO 216 Ca 0.30 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 1wsa s PRO 216 Cb -0.15 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1wsa s PRO 216 CO 0.16 -2.21 0.79 0.50 0.04 0.00 0.00 177.00 176.28 1wsa s ARG 217 N -4.84 4.41 -0.09 4.56 3.52 -1.26 -4.88 118.95 120.38 1wsa s ARG 217 Ca 0.64 1.02 -0.01 0.00 -0.13 0.00 0.00 55.73 57.25 1wsa s ARG 217 Cb -0.19 -3.49 0.03 0.00 -1.56 0.00 0.00 34.95 29.73 1wsa s ARG 217 CO 0.57 -0.08 -0.03 0.08 -0.81 0.00 0.00 175.30 175.03 1wsa s VAL 218 N 1.28 0.65 0.19 7.11 1.01 -1.26 -0.13 120.40 129.25 1wsa s VAL 218 Ca 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1wsa s VAL 218 Cb -0.18 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1wsa s VAL 218 CO 0.18 0.30 0.39 -1.81 0.00 0.00 0.00 175.10 174.17 1wsa s ASP 219 N 1.82 6.42 -0.08 3.32 1.01 -0.45 -4.93 116.67 123.77 1wsa s ASP 219 Ca 0.04 0.48 0.04 0.00 0.71 0.00 0.00 52.55 53.83 1wsa s ASP 219 Cb -0.12 -2.04 -0.00 0.00 1.01 0.00 0.00 42.92 41.76 1wsa s ASP 219 CO -0.06 -0.02 -0.23 -0.63 0.21 0.00 0.00 175.17 174.44 1wsa s ILE 220 N -1.81 1.96 -0.05 0.77 1.01 -1.26 0.01 121.20 121.83 1wsa s ILE 220 Ca 0.40 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1wsa s ILE 220 Cb -0.11 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1wsa s ILE 220 CO 0.28 0.54 -0.15 -0.76 0.00 0.00 0.00 174.94 174.85 1wsa s LEU 221 N 0.21 2.67 -0.33 2.97 1.43 0.08 -4.96 118.68 120.76 1wsa s LEU 221 Ca -0.14 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1wsa s LEU 221 Cb -0.16 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1wsa s LEU 221 CO 0.07 0.34 0.19 -0.47 0.23 0.00 0.00 176.35 176.71 1wsa s TYR 222 N -0.71 3.20 0.43 0.29 6.14 -1.26 -1.05 117.35 124.38 1wsa s TYR 222 Ca 0.11 -0.48 -0.15 0.00 0.64 0.00 0.00 57.07 57.20 1wsa s TYR 222 Cb -0.11 -2.41 -0.08 0.00 0.42 0.00 0.00 41.96 39.79 1wsa s TYR 222 CO 0.00 -0.44 0.85 0.00 0.64 0.00 0.00 175.55 176.61 1wsa s ALA 223 N 1.65 3.21 0.02 3.97 0.00 -0.69 -5.01 121.76 124.92 1wsa s ALA 223 Ca 0.05 0.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 1wsa s ALA 223 Cb -0.17 -2.90 0.10 0.00 0.00 0.00 0.00 23.12 20.14 1wsa s ALA 223 CO 0.08 0.01 0.90 -3.38 0.00 0.00 0.00 175.76 173.36 1wsa s HIS 224 N -2.35 -0.31 0.60 0.00 -3.43 -1.26 -4.80 115.29 103.74 1wsa s HIS 224 Ca 0.56 0.15 -0.20 0.00 -0.80 0.00 0.00 55.06 54.76 1wsa s HIS 224 Cb -0.10 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.58 1wsa s HIS 224 CO 0.26 -0.59 1.33 -1.25 -2.00 0.00 0.00 174.74 172.49 1wsa s PRO 225 N -3.15 2.84 -1.08 -0.38 0.04 -1.26 -2.70 135.00 129.30 1wsa s PRO 225 Ca 0.06 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 1wsa s PRO 225 Cb -0.01 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wsa s PRO 225 CO -0.07 -1.41 0.92 -0.25 0.04 0.00 0.00 177.00 176.23 1wsa n ASP 226 N -1.47 -3.70 -4.59 6.66 8.00 -1.26 -4.99 116.55 115.22 1wsa n ASP 226 Ca 0.13 -0.50 -0.29 0.00 0.71 0.00 0.00 54.79 54.84 1wsa n ASP 226 Cb 0.46 -4.41 0.13 0.00 -0.02 0.00 0.00 41.12 37.28 1wsa n ASP 226 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wsa s ASP 227 N -3.76 3.91 0.43 -2.24 -1.08 -1.10 -5.09 116.67 107.73 1wsa s ASP 227 Ca 0.22 0.58 0.03 0.00 -0.52 0.00 0.00 52.55 52.87 1wsa s ASP 227 Cb -0.10 -0.89 -0.03 0.00 -1.46 0.00 0.00 42.92 40.44 1wsa s ASP 227 CO 0.62 -2.27 0.08 0.28 0.52 0.00 0.00 175.17 174.40 1wsa s THR 228 N -3.69 0.91 -0.58 1.71 -1.32 -1.26 -4.68 115.64 106.73 1wsa s THR 228 Ca 0.67 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 59.21 1wsa s THR 228 Cb -0.08 -2.39 0.01 0.00 -1.51 0.00 0.00 72.50 68.53 1wsa s THR 228 CO 0.51 0.00 0.53 -0.90 -2.21 0.00 0.00 174.62 172.54 1wsa n ASP 229 N -1.20 1.06 0.22 8.08 5.75 -1.26 -4.23 116.55 124.98 1wsa n ASP 229 Ca -0.09 -1.03 0.09 0.00 -0.01 0.00 0.00 54.79 53.75 1wsa n ASP 229 Cb 0.66 0.35 0.44 0.00 -1.03 0.00 0.00 41.12 41.54 1wsa n ASP 229 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1wsa h VAL 230 N 0.77 0.59 0.03 2.12 -1.51 -1.99 -2.71 116.25 113.55 1wsa h VAL 230 Ca 0.00 -1.17 -0.23 0.00 -1.23 0.00 0.00 66.70 64.07 1wsa h VAL 230 Cb 0.21 1.79 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 1wsa h VAL 230 CO 0.00 0.24 -1.14 -0.07 -1.23 0.00 0.00 177.57 175.37 1wsa h LEU 231 N 0.00 0.09 0.07 4.19 3.38 -2.00 -1.98 115.31 119.06 1wsa h LEU 231 Ca -0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1wsa h LEU 231 Cb 0.77 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1wsa h LEU 231 CO 0.03 1.08 -0.03 0.58 0.09 0.00 0.00 178.44 180.19 1wsa h VAL 232 N 0.02 1.15 -0.54 1.22 2.07 -1.84 -2.61 116.25 115.72 1wsa h VAL 232 Ca -0.07 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1wsa h VAL 232 Cb 1.84 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 1wsa h VAL 232 CO 0.14 0.20 0.14 0.78 0.02 0.00 0.00 177.57 178.85 1wsa h ASN 233 N -0.45 0.76 0.15 0.57 2.35 -1.51 -1.15 115.58 116.30 1wsa h ASN 233 Ca -0.01 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1wsa h ASN 233 Cb 0.39 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1wsa h ASN 233 CO 0.02 0.74 -0.07 0.00 -1.65 0.00 0.00 177.43 176.47 1wsa h ALA 234 N 1.36 -0.20 -0.83 -0.83 0.00 -1.38 -0.55 119.26 116.83 1wsa h ALA 234 Ca 0.18 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1wsa h ALA 234 Cb 0.27 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1wsa h ALA 234 CO -0.00 -0.51 0.46 0.00 0.00 0.00 0.00 179.25 179.19 1wsa h ALA 235 N 0.41 1.21 -0.32 0.00 0.00 -1.08 0.45 119.26 119.92 1wsa h ALA 235 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1wsa h ALA 235 Cb 0.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1wsa h ALA 235 CO 0.03 0.03 0.08 1.25 0.00 0.00 0.00 179.25 180.63 1wsa h LEU 236 N 0.72 0.04 -0.73 0.00 5.85 -0.95 0.11 115.31 120.36 1wsa h LEU 236 Ca 0.42 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 59.07 1wsa h LEU 236 Cb 0.47 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1wsa h LEU 236 CO -0.29 0.06 -0.29 1.56 -0.34 0.00 0.00 178.44 179.14 1wsa h GLN 237 N 0.20 0.66 0.00 1.25 1.08 0.11 -0.67 115.11 117.73 1wsa h GLN 237 Ca 0.15 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1wsa h GLN 237 Cb 0.15 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1wsa h GLN 237 CO -0.18 0.87 0.00 0.00 -0.95 0.00 0.00 178.83 178.57 1wsa n ALA 238 N -2.50 2.17 -1.29 3.87 0.00 0.14 -4.90 120.51 118.00 1wsa n ALA 238 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wsa n ALA 238 Cb 0.45 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1wsa n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wsa n GLY 239 N 0.44 0.64 3.72 0.00 0.00 -0.26 -5.02 105.19 104.70 1wsa n GLY 239 Ca 0.12 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1wsa n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsa n ALA 240 N -0.51 1.97 0.07 4.61 0.00 0.30 -4.77 120.51 122.18 1wsa n ALA 240 Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.88 1wsa n ALA 240 Cb 0.25 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 1wsa n ALA 240 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wsa n LYS 241 N 2.07 0.61 -3.67 0.00 4.76 0.81 -4.83 118.16 117.91 1wsa n LYS 241 Ca 0.10 0.17 -0.11 0.00 -2.87 0.00 0.00 58.31 55.60 1wsa n LYS 241 Cb 0.35 -1.81 -0.05 0.00 -1.84 0.00 0.00 35.03 31.67 1wsa n LYS 241 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wsa s GLY 242 N -4.58 -0.23 -0.03 0.72 0.00 -0.99 -1.78 107.32 100.43 1wsa s GLY 242 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.71 1wsa s GLY 242 CO 0.80 -0.25 -0.01 -0.42 0.00 0.00 0.00 173.10 173.22 1wsa s ILE 243 N -3.36 0.24 -0.26 0.90 1.01 0.79 -1.34 121.20 119.18 1wsa s ILE 243 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 1wsa s ILE 243 Cb 0.01 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 1wsa s ILE 243 CO -0.09 0.14 0.18 -0.63 0.00 0.00 0.00 174.94 174.54 1wsa s ILE 244 N 0.78 5.32 -0.45 2.92 -1.09 0.10 -0.83 121.20 127.96 1wsa s ILE 244 Ca -0.08 0.17 -0.10 0.00 -2.23 0.00 0.00 60.65 58.41 1wsa s ILE 244 Cb -0.11 -3.52 0.10 0.00 -1.58 0.00 0.00 42.46 37.35 1wsa s ILE 244 CO -0.01 0.29 0.32 -2.28 -1.23 0.00 0.00 174.94 172.02 1wsa s HIS 245 N 1.49 3.36 -1.13 3.97 5.65 -0.57 -0.74 115.29 127.32 1wsa s HIS 245 Ca 0.07 -1.61 -0.22 0.00 0.25 0.00 0.00 55.06 53.55 1wsa s HIS 245 Cb -0.15 -3.23 -0.01 0.00 -1.18 0.00 0.00 32.58 28.00 1wsa s HIS 245 CO 0.08 -0.91 1.80 0.00 -0.65 0.00 0.00 174.74 175.06 1wsa s ALA 246 N 1.42 2.33 1.07 1.58 0.00 -0.22 -0.92 121.76 127.02 1wsa s ALA 246 Ca 0.04 -2.24 -0.16 0.00 0.00 0.00 0.00 51.96 49.61 1wsa s ALA 246 Cb -0.25 -4.62 0.22 0.00 0.00 0.00 0.00 23.12 18.47 1wsa s ALA 246 CO 0.01 -4.35 1.09 0.41 0.00 0.00 0.00 175.76 172.92 1wsa n GLY 247 N 6.11 -1.84 3.76 0.00 0.00 -0.87 -1.70 105.19 110.64 1wsa n GLY 247 Ca 0.43 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 1wsa n GLY 247 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wsa s MET 248 N -5.41 4.40 6.05 1.61 -1.94 0.12 -1.46 119.30 122.67 1wsa s MET 248 Ca 0.64 0.90 0.00 0.00 -1.71 0.00 0.00 55.69 55.53 1wsa s MET 248 Cb -0.03 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.47 1wsa s MET 248 CO 0.46 0.37 0.00 0.41 -0.01 0.00 0.00 175.02 176.25 1wsa n GLY 249 N 2.31 3.64 2.35 -0.03 0.00 -1.26 -0.91 105.19 111.30 1wsa n GLY 249 Ca -0.05 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1wsa n GLY 249 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wsa n ASN 250 N 5.91 8.36 -1.53 1.61 2.85 -1.26 -4.55 115.26 126.66 1wsa n ASN 250 Ca 0.00 -2.62 -0.15 0.00 -0.11 0.00 0.00 54.58 51.69 1wsa n ASN 250 Cb 0.00 -1.56 -0.03 0.00 1.24 0.00 0.00 39.78 39.43 1wsa n ASN 250 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wsa n GLY 251 N 3.52 0.49 3.71 8.20 0.00 -1.18 -4.79 105.19 115.13 1wsa n GLY 251 Ca 0.76 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 1wsa n GLY 251 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wsa s ASN 252 N -2.52 7.10 0.34 1.61 0.01 -0.09 -4.64 114.94 116.75 1wsa s ASN 252 Ca 0.00 1.33 -0.05 0.00 -0.71 0.00 0.00 52.86 53.44 1wsa s ASN 252 Cb 0.00 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 1wsa s ASN 252 CO 0.00 -0.22 0.61 -2.16 -1.51 0.00 0.00 177.10 173.82 1wsa s PRO 253 N 1.13 3.61 0.33 -0.60 0.04 -1.26 0.14 135.00 138.39 1wsa s PRO 253 Ca 0.42 0.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.21 1wsa s PRO 253 Cb -0.18 -2.59 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 1wsa s PRO 253 CO 0.20 0.12 1.13 0.12 0.04 0.00 0.00 177.00 178.62 1wsa s PHE 254 N -2.24 3.37 0.19 0.56 5.36 -1.26 -4.85 117.98 119.11 1wsa s PHE 254 Ca 0.44 1.63 -0.23 0.00 -0.96 0.00 0.00 56.93 57.82 1wsa s PHE 254 Cb -0.10 -3.34 0.11 0.00 -0.34 0.00 0.00 43.02 39.35 1wsa s PHE 254 CO 0.33 -0.88 1.57 -1.35 -1.46 0.00 0.00 175.22 173.42 1wsa h PRO 255 N 3.36 -0.12 -0.49 10.12 0.11 -1.97 -0.73 132.00 142.28 1wsa h PRO 255 Ca -0.48 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1wsa h PRO 255 Cb 1.22 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1wsa h PRO 255 CO 0.65 -0.08 -0.01 1.25 -0.21 0.00 0.00 178.00 179.60 1wsa h LEU 256 N -0.13 -0.22 -1.19 2.35 5.85 -1.92 -1.04 115.31 119.01 1wsa h LEU 256 Ca 0.24 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1wsa h LEU 256 Cb 0.56 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1wsa h LEU 256 CO -0.80 -0.08 0.00 0.00 -0.34 0.00 0.00 178.44 177.23 1wsa h THR 257 N 0.11 0.00 -0.44 1.05 1.03 -1.35 -2.83 112.91 110.48 1wsa h THR 257 Ca 0.24 -0.55 -0.14 0.00 -0.01 0.00 0.00 66.41 65.96 1wsa h THR 257 Cb 0.37 1.52 -0.01 0.00 -1.07 0.00 0.00 68.15 68.96 1wsa h THR 257 CO -0.41 0.00 -0.26 -0.61 -0.01 0.00 0.00 175.52 174.23 1wsa h GLN 258 N 0.00 0.96 -0.61 0.00 4.15 -0.13 -0.66 115.11 118.82 1wsa h GLN 258 Ca 0.00 -0.44 -0.08 0.00 0.77 0.00 0.00 58.65 58.90 1wsa h GLN 258 Cb 0.56 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1wsa h GLN 258 CO 0.00 1.10 0.07 -0.91 -1.93 0.00 0.00 178.83 177.16 1wsa h ASN 259 N 0.80 1.00 -0.07 -0.69 -0.26 -1.26 0.34 115.58 115.44 1wsa h ASN 259 Ca 0.09 -0.28 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 1wsa h ASN 259 Cb 0.84 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1wsa h ASN 259 CO 0.07 1.03 0.04 0.00 -1.06 0.00 0.00 177.43 177.52 1wsa h ALA 260 N 1.01 0.09 -0.91 -0.83 0.00 -1.33 -1.53 119.26 115.76 1wsa h ALA 260 Ca 0.18 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1wsa h ALA 260 Cb 0.47 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1wsa h ALA 260 CO 0.02 -0.40 0.59 -0.07 0.00 0.00 0.00 179.25 179.39 1wsa h LEU 261 N 0.06 0.98 -1.44 0.00 3.38 -0.74 0.04 115.31 117.59 1wsa h LEU 261 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1wsa h LEU 261 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1wsa h LEU 261 CO -0.00 0.67 0.25 -0.08 0.09 0.00 0.00 178.44 179.37 1wsa h GLU 262 N 1.14 0.63 -0.35 1.13 4.81 0.01 -1.31 114.58 120.64 1wsa h GLU 262 Ca 0.36 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1wsa h GLU 262 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1wsa h GLU 262 CO -0.12 0.47 -0.32 0.87 -0.73 0.00 0.00 179.01 179.18 1wsa h LYS 263 N 0.64 0.77 -0.32 1.92 1.57 0.02 -2.42 116.57 118.76 1wsa h LYS 263 Ca 0.17 -0.36 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 1wsa h LYS 263 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1wsa h LYS 263 CO -0.03 0.98 -0.41 0.00 -0.57 0.00 0.00 179.45 179.42 1wsa h ALA 264 N 0.99 0.67 -0.18 3.86 0.00 -0.79 -2.40 119.26 121.42 1wsa h ALA 264 Ca 0.07 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1wsa h ALA 264 Cb 0.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wsa h ALA 264 CO 0.07 0.67 -0.20 0.00 0.00 0.00 0.00 179.25 179.79 1wsa h ALA 265 N 0.90 1.33 -0.14 0.00 0.00 -1.07 -0.49 119.26 119.80 1wsa h ALA 265 Ca 0.05 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1wsa h ALA 265 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wsa h ALA 265 CO 0.09 0.45 -0.46 0.87 0.00 0.00 0.00 179.25 180.21 1wsa h LYS 266 N 0.28 0.34 -0.16 0.00 1.79 -1.28 -2.46 116.57 115.07 1wsa h LYS 266 Ca 0.05 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1wsa h LYS 266 Cb 0.52 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1wsa h LYS 266 CO 0.03 0.73 0.00 0.43 -1.08 0.00 0.00 179.45 179.57 1wsa n SER 267 N -3.99 0.65 0.00 0.86 7.64 -0.74 -4.88 113.62 113.16 1wsa n SER 267 Ca -0.02 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1wsa n SER 267 Cb 0.52 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1wsa n SER 267 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wsa n GLY 268 N 0.64 0.71 3.76 0.23 0.00 -0.93 -5.04 105.19 104.55 1wsa n GLY 268 Ca 0.04 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1wsa n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wsa s VAL 269 N -2.00 5.24 -0.29 1.61 1.01 -0.27 -4.96 120.40 120.75 1wsa s VAL 269 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 1wsa s VAL 269 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1wsa s VAL 269 CO 0.00 0.43 1.23 -0.69 0.00 0.00 0.00 175.10 176.07 1wsa s VAL 270 N 0.10 4.27 -0.30 2.92 1.01 -0.73 -3.63 120.40 124.03 1wsa s VAL 270 Ca 0.20 1.46 -0.10 0.00 0.00 0.00 0.00 61.98 63.54 1wsa s VAL 270 Cb -0.14 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1wsa s VAL 270 CO 0.07 -0.43 0.17 -0.69 0.00 0.00 0.00 175.10 174.22 1wsa s VAL 271 N 4.03 4.86 -0.26 2.92 1.01 -1.26 -0.14 120.40 131.56 1wsa s VAL 271 Ca 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1wsa s VAL 271 Cb -0.16 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1wsa s VAL 271 CO 0.19 0.12 -0.04 0.00 0.00 0.00 0.00 175.10 175.37 1wsa s ALA 272 N 1.67 2.74 -0.21 5.51 0.00 -0.01 -0.81 121.76 130.65 1wsa s ALA 272 Ca 0.06 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 1wsa s ALA 272 Cb -0.17 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1wsa s ALA 272 CO 0.08 -0.87 1.09 1.03 0.00 0.00 0.00 175.76 177.09 1wsa s ARG 273 N 1.33 4.26 0.00 0.00 0.52 0.30 -1.52 118.95 123.85 1wsa s ARG 273 Ca -0.00 1.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.64 1wsa s ARG 273 Cb -0.17 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.64 1wsa s ARG 273 CO -0.04 -0.63 0.00 0.45 0.02 0.00 0.00 175.30 175.10 1wsa n SER 274 N 6.31 1.90 -3.83 0.23 2.88 -0.10 -1.85 113.62 119.15 1wsa n SER 274 Ca 0.12 -0.01 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 1wsa n SER 274 Cb 0.46 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.80 1wsa n SER 274 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wsa s SER 275 N 0.99 -0.11 0.03 -3.46 0.15 -1.26 -2.06 113.70 107.98 1wsa s SER 275 Ca 0.00 0.18 0.28 0.00 0.70 0.00 0.00 55.95 57.11 1wsa s SER 275 Cb 0.00 0.29 1.00 0.00 -1.71 0.00 0.00 66.02 65.59 1wsa s SER 275 CO 0.00 -0.12 1.78 -2.11 1.20 0.00 0.00 173.24 173.98 1wsa n ARG 276 N 2.65 0.05 -0.31 5.44 1.85 -0.53 -4.27 116.66 121.53 1wsa n ARG 276 Ca -0.15 0.03 0.07 0.00 -1.00 0.00 0.00 57.85 56.81 1wsa n ARG 276 Cb 0.58 -1.55 0.23 0.00 -1.05 0.00 0.00 32.46 30.68 1wsa n ARG 276 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 1wsa h VAL 277 N 0.00 0.78 0.00 8.89 3.04 -1.85 -3.47 116.25 123.64 1wsa h VAL 277 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1wsa h VAL 277 Cb 0.54 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 1wsa h VAL 277 CO 0.00 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.30 1wsa n GLY 278 N -1.33 1.46 3.84 3.17 0.00 -1.26 -5.09 105.19 105.98 1wsa n GLY 278 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1wsa n GLY 278 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wsa s SER 279 N -1.47 -0.21 0.00 1.61 1.04 -1.26 -4.94 113.70 108.47 1wsa s SER 279 Ca 0.00 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1wsa s SER 279 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1wsa s SER 279 CO 0.00 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1wsa n GLY 280 N -0.47 -0.02 3.68 7.32 0.00 -1.26 -4.99 105.19 109.45 1wsa n GLY 280 Ca -0.05 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 1wsa n GLY 280 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wsa s SER 281 N -1.00 5.06 -0.90 1.61 0.15 -1.26 -4.36 113.70 113.00 1wsa s SER 281 Ca 0.00 -0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.42 1wsa s SER 281 Cb 0.00 -1.26 0.21 0.00 -1.71 0.00 0.00 66.02 63.26 1wsa s SER 281 CO 0.00 0.23 0.91 -0.89 1.20 0.00 0.00 173.24 174.69 1wsa s THR 282 N -1.19 5.51 0.95 6.45 2.01 -0.61 -4.90 115.64 123.86 1wsa s THR 282 Ca 0.22 -2.48 -0.12 0.00 0.31 0.00 0.00 61.69 59.62 1wsa s THR 282 Cb -0.12 -4.56 0.16 0.00 0.01 0.00 0.00 72.50 68.00 1wsa s THR 282 CO 0.14 -1.15 1.09 0.42 -0.69 0.00 0.00 174.62 174.42 1wsa s THR 283 N 0.41 2.39 0.38 -0.82 -4.23 -1.26 -2.08 115.64 110.43 1wsa s THR 283 Ca 0.23 0.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.94 1wsa s THR 283 Cb -0.09 -2.56 -0.00 0.00 1.34 0.00 0.00 72.50 71.19 1wsa s THR 283 CO -0.09 -0.17 0.53 -1.10 -0.54 0.00 0.00 174.62 173.26 1wsa s GLN 284 N -4.89 2.99 -1.38 3.99 -0.21 -1.26 -4.45 119.66 114.44 1wsa s GLN 284 Ca 0.65 -1.05 -0.06 0.00 0.02 0.00 0.00 55.36 54.92 1wsa s GLN 284 Cb -0.19 -2.77 0.03 0.00 1.00 0.00 0.00 33.01 31.08 1wsa s GLN 284 CO 0.58 -0.10 0.91 0.39 -2.12 0.00 0.00 175.29 174.94 1wsa n GLU 285 N -1.77 -5.81 0.00 2.91 4.71 -1.26 -4.97 120.64 114.45 1wsa n GLU 285 Ca 0.03 0.67 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 1wsa n GLU 285 Cb 0.58 -5.48 0.00 0.00 -1.01 0.00 0.00 31.44 25.54 1wsa n GLU 285 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wsa n ALA 286 N -4.51 0.00 0.07 0.62 0.00 -1.26 -5.03 120.51 110.40 1wsa n ALA 286 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1wsa n ALA 286 Cb 0.61 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 1wsa n ALA 286 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wsa h GLU 287 N 0.00 0.55 -6.40 0.00 5.08 -1.92 -3.45 114.58 108.45 1wsa h GLU 287 Ca 0.00 -0.72 -0.55 0.00 -1.00 0.00 0.00 59.36 57.09 1wsa h GLU 287 Cb 0.00 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1wsa h GLU 287 CO 0.00 1.32 0.07 0.54 -1.00 0.00 0.00 179.01 179.94 1wsa s VAL 288 N -2.96 4.57 -0.84 3.13 0.11 -1.26 -4.99 120.40 118.16 1wsa s VAL 288 Ca -0.11 1.42 -0.19 0.00 -2.93 0.00 0.00 61.98 60.18 1wsa s VAL 288 Cb 0.05 -3.99 0.13 0.00 -1.53 0.00 0.00 36.38 31.04 1wsa s VAL 288 CO 0.90 0.49 1.00 -0.62 -3.33 0.00 0.00 175.10 173.55 1wsa s ASP 289 N -1.21 6.53 0.14 3.54 -1.08 -1.26 -4.59 116.67 118.74 1wsa s ASP 289 Ca 0.34 -1.92 -0.16 0.00 -0.52 0.00 0.00 52.55 50.29 1wsa s ASP 289 Cb -0.21 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1wsa s ASP 289 CO 0.22 -1.05 1.72 0.44 0.52 0.00 0.00 175.17 177.02 1wsa h ASP 290 N 8.83 0.54 -0.17 -0.34 3.32 -1.94 -1.22 116.42 125.43 1wsa h ASP 290 Ca 0.03 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1wsa h ASP 290 Cb 1.04 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 1wsa h ASP 290 CO 1.07 0.51 -0.17 0.50 -1.72 0.00 0.00 179.24 179.43 1wsa h LYS 291 N 0.53 -0.19 -0.32 3.56 3.64 -1.90 1.72 116.57 123.61 1wsa h LYS 291 Ca 0.14 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 1wsa h LYS 291 Cb 0.12 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1wsa h LYS 291 CO -0.02 -0.13 -0.41 -0.22 -2.27 0.00 0.00 179.45 176.40 1wsa h LYS 292 N -0.20 0.80 0.00 1.90 3.64 -1.94 -3.02 116.57 117.75 1wsa h LYS 292 Ca 0.11 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1wsa h LYS 292 Cb 0.37 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1wsa h LYS 292 CO -0.29 1.06 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.66 1wsa h LEU 293 N 0.65 0.00 0.00 5.20 3.38 -0.80 -3.48 115.31 120.26 1wsa h LEU 293 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wsa h LEU 293 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1wsa h LEU 293 CO 0.09 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1wsa n GLY 294 N 1.20 0.67 4.02 0.83 0.00 0.57 -4.85 105.19 107.63 1wsa n GLY 294 Ca 0.04 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1wsa n GLY 294 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wsa s PHE 295 N -2.00 1.56 -0.04 1.61 0.08 0.09 -4.60 117.98 114.67 1wsa s PHE 295 Ca 0.00 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.53 1wsa s PHE 295 Cb 0.00 -2.52 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 1wsa s PHE 295 CO 0.00 -1.33 -0.08 0.08 -0.10 0.00 0.00 175.22 173.80 1wsa s VAL 296 N -2.83 0.75 -0.17 -0.44 1.01 0.01 -4.47 120.40 114.26 1wsa s VAL 296 Ca 0.63 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 1wsa s VAL 296 Cb -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1wsa s VAL 296 CO 0.41 0.26 0.53 0.00 0.00 0.00 0.00 175.10 176.30 1wsa s ALA 297 N 0.63 3.52 -1.80 5.51 0.00 -1.26 -0.54 121.76 127.82 1wsa s ALA 297 Ca -0.10 -0.31 0.30 0.00 0.00 0.00 0.00 51.96 51.85 1wsa s ALA 297 Cb -0.13 -2.80 1.69 0.00 0.00 0.00 0.00 23.12 21.88 1wsa s ALA 297 CO 0.01 -0.34 2.09 0.25 0.00 0.00 0.00 175.76 177.78 1wsa n THR 298 N 4.32 0.02 0.00 0.00 -2.24 -0.77 -4.84 114.28 110.77 1wsa n THR 298 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1wsa n THR 298 Cb 0.51 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1wsa n THR 298 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wsa n GLU 299 N -1.10 0.00 -1.42 -0.78 1.02 -0.88 -3.83 120.64 113.65 1wsa n GLU 299 Ca 0.20 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.94 1wsa n GLU 299 Cb 0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.54 1wsa n GLU 299 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wsa n SER 300 N 3.25 7.66 -3.77 1.62 2.88 -1.26 -1.57 113.62 122.42 1wsa n SER 300 Ca 0.00 -2.64 -0.13 0.00 -1.33 0.00 0.00 58.87 54.77 1wsa n SER 300 Cb 0.00 -1.58 -0.11 0.00 -0.75 0.00 0.00 64.21 61.77 1wsa n SER 300 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wsa s LEU 301 N 0.58 0.85 0.86 2.46 1.43 -1.25 -4.99 118.68 118.63 1wsa s LEU 301 Ca 0.64 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 1wsa s LEU 301 Cb 0.17 1.03 0.11 0.00 0.03 0.00 0.00 46.19 47.54 1wsa s LEU 301 CO -0.07 -0.11 1.13 0.54 0.23 0.00 0.00 176.35 178.08 1wsa s ASN 302 N 0.15 3.92 0.27 2.29 2.20 -1.26 -4.69 114.94 117.82 1wsa s ASN 302 Ca -0.00 1.04 -0.03 0.00 -0.94 0.00 0.00 52.86 52.93 1wsa s ASN 302 Cb -0.02 -1.66 0.39 0.00 -2.00 0.00 0.00 41.25 37.96 1wsa s ASN 302 CO 0.00 -2.30 1.92 -0.65 -2.94 0.00 0.00 177.10 173.14 1wsa h PRO 303 N -1.32 1.16 0.00 3.55 0.11 -1.97 -1.35 132.00 132.18 1wsa h PRO 303 Ca -0.49 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.44 1wsa h PRO 303 Cb 1.31 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1wsa h PRO 303 CO 0.62 0.77 -0.54 -0.56 -0.21 0.00 0.00 178.00 178.08 1wsa h GLN 304 N 1.20 0.00 0.00 1.05 -0.00 -1.96 -2.23 115.11 113.17 1wsa h GLN 304 Ca 0.38 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.81 1wsa h GLN 304 Cb 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.45 1wsa h GLN 304 CO -0.12 0.54 -1.21 0.87 -0.00 0.00 0.00 178.83 178.92 1wsa h LYS 305 N 0.00 0.00 0.00 0.06 1.57 -1.89 -3.09 116.57 113.22 1wsa h LYS 305 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1wsa h LYS 305 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1wsa h LYS 305 CO 0.07 0.68 -0.13 0.00 -0.57 0.00 0.00 179.45 179.50 1wsa h ALA 306 N 1.12 1.55 -0.27 3.86 0.00 -1.11 -0.97 119.26 123.44 1wsa h ALA 306 Ca -0.12 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1wsa h ALA 306 Cb 1.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1wsa h ALA 306 CO 0.09 0.16 -0.57 -0.09 0.00 0.00 0.00 179.25 178.85 1wsa h ARG 307 N 0.00 0.84 -0.44 0.00 2.43 -1.33 -2.09 114.38 113.79 1wsa h ARG 307 Ca -0.00 -0.54 -0.12 0.00 -0.81 0.00 0.00 59.98 58.50 1wsa h ARG 307 Cb 0.27 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1wsa h ARG 307 CO 0.02 1.17 -0.20 0.28 -1.51 0.00 0.00 179.97 179.73 1wsa h VAL 308 N 0.64 1.27 -0.68 0.20 2.07 -1.19 -1.60 116.25 116.96 1wsa h VAL 308 Ca 0.01 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 1wsa h VAL 308 Cb 1.17 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1wsa h VAL 308 CO 0.12 0.46 0.17 0.25 0.02 0.00 0.00 177.57 178.59 1wsa h LEU 309 N 0.75 1.01 -0.55 2.57 6.46 -1.23 -2.59 115.31 121.74 1wsa h LEU 309 Ca 0.10 -0.21 -0.14 0.00 -0.12 0.00 0.00 57.88 57.52 1wsa h LEU 309 Cb 0.77 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1wsa h LEU 309 CO 0.06 0.97 -0.30 0.25 -0.62 0.00 0.00 178.44 178.81 1wsa h LEU 310 N 1.02 0.88 -0.78 2.25 5.85 -1.27 0.59 115.31 123.85 1wsa h LEU 310 Ca 0.22 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1wsa h LEU 310 Cb 0.35 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1wsa h LEU 310 CO 0.00 1.11 0.42 0.24 -0.34 0.00 0.00 178.44 179.87 1wsa h MET 311 N 0.72 1.09 0.45 1.25 2.86 -1.10 -0.92 114.93 119.27 1wsa h MET 311 Ca 0.08 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1wsa h MET 311 Cb 0.85 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1wsa h MET 311 CO 0.07 0.81 -0.22 -0.07 1.06 0.00 0.00 176.91 178.56 1wsa h LEU 312 N 1.08 -0.51 -0.74 1.22 3.38 -1.26 -2.51 115.31 115.96 1wsa h LEU 312 Ca 0.27 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.36 1wsa h LEU 312 Cb 0.04 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.80 1wsa h LEU 312 CO -0.04 -0.27 0.09 0.00 0.09 0.00 0.00 178.44 178.31 1wsa h ALA 313 N -0.25 0.87 0.00 1.53 0.00 -0.74 0.30 119.26 120.96 1wsa h ALA 313 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wsa h ALA 313 Cb 0.53 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1wsa h ALA 313 CO 0.10 -0.39 0.00 -0.07 0.00 0.00 0.00 179.25 178.89 1wsa h LEU 314 N 0.18 0.00 -0.11 0.00 4.07 -0.77 0.21 115.31 118.89 1wsa h LEU 314 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1wsa h LEU 314 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1wsa h LEU 314 CO -0.59 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 177.12 1wsa n THR 315 N -2.54 0.50 -0.03 0.22 -2.24 0.10 -4.16 114.28 106.12 1wsa n THR 315 Ca -0.01 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 1wsa n THR 315 Cb 0.12 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 1wsa n THR 315 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1wsa n LYS 316 N -1.95 0.18 -4.08 -0.78 5.02 -0.13 -5.12 118.16 111.29 1wsa n LYS 316 Ca 0.05 0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1wsa n LYS 316 Cb 0.34 -0.80 -0.10 0.00 -0.02 0.00 0.00 35.03 34.45 1wsa n LYS 316 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wsa s THR 317 N -2.18 0.26 0.00 -0.18 -1.32 0.56 -5.00 115.64 107.78 1wsa s THR 317 Ca -0.11 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.66 1wsa s THR 317 Cb 0.04 -1.37 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 1wsa s THR 317 CO 0.15 -0.92 0.31 -1.20 -2.21 0.00 0.00 174.62 170.75 1wsa n SER 318 N 0.30 0.61 -4.69 8.08 7.64 -1.26 -3.66 113.62 120.64 1wsa n SER 318 Ca -0.15 -0.84 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 1wsa n SER 318 Cb 0.60 0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 1wsa n SER 318 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wsa s ASP 319 N -0.24 6.71 0.16 6.43 2.15 -1.26 -4.92 116.67 125.70 1wsa s ASP 319 Ca 0.00 2.35 -0.15 0.00 0.43 0.00 0.00 52.55 55.18 1wsa s ASP 319 Cb 0.00 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1wsa s ASP 319 CO 0.00 -0.80 1.78 -0.09 -0.17 0.00 0.00 175.17 175.89 1wsa h ARG 320 N 7.84 0.63 -0.27 4.34 2.43 -1.95 -1.14 114.38 126.26 1wsa h ARG 320 Ca -0.41 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1wsa h ARG 320 Cb 1.19 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1wsa h ARG 320 CO 0.91 0.47 0.15 1.49 -1.51 0.00 0.00 179.97 181.49 1wsa h GLU 321 N 0.61 0.36 -0.52 0.20 4.81 -1.96 -0.77 114.58 117.31 1wsa h GLU 321 Ca 0.16 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1wsa h GLU 321 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1wsa h GLU 321 CO -0.03 0.30 0.22 0.00 -0.73 0.00 0.00 179.01 178.78 1wsa h ALA 322 N 1.04 0.68 -0.19 2.92 0.00 -1.95 -0.67 119.26 121.10 1wsa h ALA 322 Ca 0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1wsa h ALA 322 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wsa h ALA 322 CO -0.02 0.27 -0.18 0.82 0.00 0.00 0.00 179.25 180.14 1wsa h ILE 323 N 0.70 1.22 -0.46 0.00 2.04 -0.97 -1.37 117.51 118.67 1wsa h ILE 323 Ca 0.18 -0.99 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 1wsa h ILE 323 Cb 0.17 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1wsa h ILE 323 CO -0.02 0.31 -0.15 -0.61 0.00 0.00 0.00 178.15 177.69 1wsa h GLN 324 N 0.29 0.92 -0.53 2.37 5.75 -0.28 -2.23 115.11 121.39 1wsa h GLN 324 Ca 0.05 -0.37 -0.03 0.00 -0.15 0.00 0.00 58.65 58.16 1wsa h GLN 324 Cb 0.49 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1wsa h GLN 324 CO 0.03 1.02 0.21 -0.22 -2.65 0.00 0.00 178.83 177.23 1wsa h LYS 325 N 0.76 0.77 -0.27 1.69 3.11 -0.76 -0.84 116.57 121.02 1wsa h LYS 325 Ca 0.11 -0.11 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1wsa h LYS 325 Cb 0.71 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1wsa h LYS 325 CO 0.05 0.63 -0.23 0.82 -2.81 0.00 0.00 179.45 177.91 1wsa h ILE 326 N 0.76 1.26 0.00 2.00 2.04 -0.73 -1.81 117.51 121.03 1wsa h ILE 326 Ca 0.18 -1.23 -0.11 0.00 1.00 0.00 0.00 64.86 64.70 1wsa h ILE 326 Cb 0.15 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1wsa h ILE 326 CO -0.02 0.39 -0.51 -0.26 0.00 0.00 0.00 178.15 177.76 1wsa h PHE 327 N 0.45 0.00 -0.00 1.37 0.04 -0.85 -2.38 116.94 115.56 1wsa h PHE 327 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1wsa h PHE 327 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1wsa h PHE 327 CO 0.02 0.51 -0.17 0.43 -0.60 0.00 0.00 178.31 178.50 1wsa n SER 328 N -3.43 0.41 -0.07 2.17 7.64 -0.37 -4.33 113.62 115.62 1wsa n SER 328 Ca 0.00 -0.32 -0.15 0.00 1.01 0.00 0.00 58.87 59.42 1wsa n SER 328 Cb 0.64 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.70 1wsa n SER 328 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1wsa n THR 329 N -1.15 0.82 1.65 0.44 -1.04 -0.75 -5.07 114.28 109.17 1wsa n THR 329 Ca 0.11 -0.23 0.15 0.00 -2.04 0.00 0.00 64.05 62.04 1wsa n THR 329 Cb 0.30 -1.58 0.65 0.00 -1.82 0.00 0.00 70.33 67.89 1wsa n THR 329 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21