#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x05 n GLY 49 N 0.00 1.10 3.78 0.00 0.00 -1.08 -4.32 105.19 104.66 2x05 n GLY 49 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2x05 n GLY 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x05 s ASN 50 N -1.48 5.71 -0.26 1.61 3.84 -0.65 -4.35 114.94 119.37 2x05 s ASN 50 Ca 0.00 0.20 -0.01 0.00 0.21 0.00 0.00 52.86 53.26 2x05 s ASN 50 Cb 0.00 -1.68 0.14 0.00 -0.55 0.00 0.00 41.25 39.16 2x05 s ASN 50 CO 0.00 0.32 0.37 0.00 -2.79 0.00 0.00 177.10 175.00 2x05 s ALA 51 N -1.11 -1.02 -0.16 1.71 0.00 -1.26 -2.19 121.76 117.74 2x05 s ALA 51 Ca 0.20 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2x05 s ALA 51 Cb -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.23 2x05 s ALA 51 CO 0.10 -1.45 -0.19 0.99 0.00 0.00 0.00 175.76 175.20 2x05 s THR 52 N 2.51 1.95 0.31 0.00 2.01 0.35 -4.91 115.64 117.87 2x05 s THR 52 Ca 0.11 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2x05 s THR 52 Cb -0.14 -1.76 -0.11 0.00 0.01 0.00 0.00 72.50 70.49 2x05 s THR 52 CO -0.22 0.52 1.58 -2.84 -0.69 0.00 0.00 174.62 172.98 2x05 s PRO 53 N 1.16 4.11 0.03 4.92 0.02 -1.26 -0.42 135.00 143.56 2x05 s PRO 53 Ca 0.01 2.59 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 2x05 s PRO 53 Cb -0.14 -3.01 -0.07 0.00 0.02 0.00 0.00 34.50 31.30 2x05 s PRO 53 CO -0.09 -0.63 1.57 0.42 -0.33 0.00 0.00 177.00 177.95 2x05 s ILE 54 N -0.21 3.31 -0.12 2.83 1.01 0.06 -4.88 121.20 123.19 2x05 s ILE 54 Ca 0.61 0.70 0.26 0.00 0.00 0.00 0.00 60.65 62.22 2x05 s ILE 54 Cb -0.48 -3.45 0.30 0.00 0.01 0.00 0.00 42.46 38.85 2x05 s ILE 54 CO 0.51 -0.01 1.75 1.55 0.00 0.00 0.00 174.94 178.74 2x05 h PRO 55 N 8.31 0.00 0.00 2.79 0.13 -1.92 -3.42 132.00 137.89 2x05 h PRO 55 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2x05 h PRO 55 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2x05 h PRO 55 CO 0.92 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 2x05 n GLY 56 N 0.59 0.30 3.23 1.56 0.00 -1.26 -1.76 105.19 107.85 2x05 n GLY 56 Ca 0.02 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 2x05 n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x05 s TYR 57 N -2.00 1.08 -0.07 1.61 2.02 0.33 -4.77 117.35 115.55 2x05 s TYR 57 Ca 0.00 -1.32 0.01 0.00 -0.37 0.00 0.00 57.07 55.40 2x05 s TYR 57 Cb 0.00 -0.49 -0.03 0.00 -0.40 0.00 0.00 41.96 41.04 2x05 s TYR 57 CO 0.00 -0.66 -0.10 0.14 -1.57 0.00 0.00 175.55 173.36 2x05 s VAL 58 N -4.14 3.46 0.14 0.71 -7.23 0.31 0.13 120.40 113.77 2x05 s VAL 58 Ca 0.37 -0.56 0.07 0.00 -1.81 0.00 0.00 61.98 60.05 2x05 s VAL 58 Cb 0.06 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2x05 s VAL 58 CO 0.11 0.58 -0.16 0.27 -0.31 0.00 0.00 175.10 175.59 2x05 s ILE 59 N -0.60 1.56 0.01 -0.62 -4.36 0.10 -1.53 121.20 115.78 2x05 s ILE 59 Ca 0.09 -1.77 -0.28 0.00 -0.26 0.00 0.00 60.65 58.43 2x05 s ILE 59 Cb -0.12 -1.65 0.08 0.00 1.25 0.00 0.00 42.46 42.02 2x05 s ILE 59 CO 0.02 -0.33 0.69 -1.58 0.24 0.00 0.00 174.94 173.98 2x05 s GLN 60 N -2.61 1.08 0.46 0.37 2.00 -1.12 0.73 119.66 120.57 2x05 s GLN 60 Ca 0.11 -0.02 -0.25 0.00 -2.00 0.00 0.00 55.36 53.20 2x05 s GLN 60 Cb -0.06 0.50 -0.08 0.00 0.80 0.00 0.00 33.01 34.17 2x05 s GLN 60 CO 0.05 -0.39 1.44 0.45 -0.50 0.00 0.00 175.29 176.33 2x05 s SER 61 N -1.76 5.81 0.05 6.67 0.15 -1.26 -0.23 113.70 123.13 2x05 s SER 61 Ca -0.05 2.95 0.11 0.00 0.70 0.00 0.00 55.95 59.66 2x05 s SER 61 Cb -0.00 -2.66 0.50 0.00 -1.71 0.00 0.00 66.02 62.15 2x05 s SER 61 CO 0.01 -1.22 1.35 -1.54 1.20 0.00 0.00 173.24 173.04 2x05 n SER 62 N -0.25 0.11 0.07 5.45 3.41 0.62 -2.01 113.62 121.02 2x05 n SER 62 Ca 0.05 0.54 0.21 0.00 -0.26 0.00 0.00 58.87 59.41 2x05 n SER 62 Cb 0.42 -0.56 0.74 0.00 -0.26 0.00 0.00 64.21 64.55 2x05 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x05 h ALA 63 N 2.27 2.19 -0.43 7.33 0.00 -1.91 -2.16 119.26 126.56 2x05 h ALA 63 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2x05 h ALA 63 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2x05 h ALA 63 CO 0.00 -0.67 0.00 1.04 0.00 0.00 0.00 179.25 179.62 2x05 n GLN 64 N -3.81 2.69 -4.03 0.00 6.02 -0.85 -4.86 117.38 112.53 2x05 n GLN 64 Ca 0.08 -2.16 -0.31 0.00 -0.01 0.00 0.00 57.00 54.59 2x05 n GLN 64 Cb 0.63 -1.35 -0.15 0.00 1.02 0.00 0.00 30.24 30.39 2x05 n GLN 64 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2x05 s VAL 65 N -1.02 1.90 -0.41 5.09 1.01 -0.81 -4.98 120.40 121.18 2x05 s VAL 65 Ca 0.30 -1.30 0.22 0.00 0.00 0.00 0.00 61.98 61.19 2x05 s VAL 65 Cb 0.16 -1.99 -0.29 0.00 0.00 0.00 0.00 36.38 34.27 2x05 s VAL 65 CO 0.21 0.08 0.66 -1.54 0.00 0.00 0.00 175.10 174.51 2x05 n SER 66 N 4.57 0.40 -3.88 3.32 3.41 -1.26 -4.72 113.62 115.46 2x05 n SER 66 Ca -0.15 -0.36 -0.30 0.00 -0.26 0.00 0.00 58.87 57.80 2x05 n SER 66 Cb 0.45 1.56 -0.15 0.00 -0.26 0.00 0.00 64.21 65.81 2x05 n SER 66 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x05 s ASP 67 N -3.96 4.31 0.27 4.04 2.15 -1.26 -5.01 116.67 117.22 2x05 s ASP 67 Ca -0.02 -1.80 -0.02 0.00 0.43 0.00 0.00 52.55 51.15 2x05 s ASP 67 Cb 0.15 -1.22 0.44 0.00 -0.30 0.00 0.00 42.92 41.99 2x05 s ASP 67 CO 0.89 -0.38 1.87 0.44 -0.17 0.00 0.00 175.17 177.82 2x05 h ASP 68 N 7.88 1.00 0.19 -0.34 5.19 -2.00 -2.15 116.42 126.18 2x05 h ASP 68 Ca -0.10 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 2x05 h ASP 68 Cb 1.02 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 2x05 h ASP 68 CO 0.48 0.61 -0.11 0.77 -3.12 0.00 0.00 179.24 177.88 2x05 h SER 69 N 1.12 0.00 0.28 6.45 4.64 -1.95 -2.66 113.55 121.43 2x05 h SER 69 Ca 0.45 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.70 2x05 h SER 69 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2x05 h SER 69 CO -0.20 0.11 -0.29 0.00 -0.87 0.00 0.00 176.83 175.58 2x05 h ALA 70 N 1.89 1.49 -0.33 5.18 0.00 -1.75 -3.30 119.26 122.44 2x05 h ALA 70 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2x05 h ALA 70 Cb 0.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2x05 h ALA 70 CO 0.01 0.38 0.12 0.28 0.00 0.00 0.00 179.25 180.05 2x05 h VAL 71 N 0.03 0.92 -0.20 0.00 2.07 -1.59 -2.77 116.25 114.70 2x05 h VAL 71 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2x05 h VAL 71 Cb 0.53 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2x05 h VAL 71 CO 0.04 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 176.14 2x05 n SER 72 N -5.02 1.84 -4.73 0.57 3.41 -1.24 -4.72 113.62 103.73 2x05 n SER 72 Ca 0.00 -1.76 -0.41 0.00 -0.26 0.00 0.00 58.87 56.44 2x05 n SER 72 Cb 0.11 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 2x05 n SER 72 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2x05 s LYS 73 N -1.74 4.51 0.32 4.33 1.02 -1.05 -2.08 119.74 125.05 2x05 s LYS 73 Ca 0.32 1.79 -0.29 0.00 0.02 0.00 0.00 55.97 57.81 2x05 s LYS 73 Cb 0.17 -3.28 -0.12 0.00 -0.52 0.00 0.00 37.83 34.08 2x05 s LYS 73 CO 0.26 -0.09 1.38 -2.30 -0.92 0.00 0.00 175.35 173.68 2x05 n PRO 74 N 2.89 2.27 -0.17 -1.68 -0.02 -1.26 -2.36 135.00 134.67 2x05 n PRO 74 Ca 0.05 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2x05 n PRO 74 Cb 0.46 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2x05 n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x05 n GLY 75 N 1.13 0.79 3.69 -1.23 0.00 -1.26 -5.05 105.19 103.27 2x05 n GLY 75 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 2x05 n GLY 75 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2x05 n PHE 76 N -2.00 2.47 -2.64 1.61 7.35 -0.99 -4.94 117.46 118.31 2x05 n PHE 76 Ca 0.00 0.12 -0.38 0.00 -0.76 0.00 0.00 57.45 56.43 2x05 n PHE 76 Cb 0.00 -2.62 -0.05 0.00 0.35 0.00 0.00 39.48 37.16 2x05 n PHE 76 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2x05 s PRO 77 N 1.50 4.58 -0.06 -7.13 0.04 -1.26 -4.97 135.00 127.69 2x05 s PRO 77 Ca 0.79 1.53 0.21 0.00 0.04 0.00 0.00 61.00 63.58 2x05 s PRO 77 Cb -0.60 -2.96 0.42 0.00 0.04 0.00 0.00 34.50 31.39 2x05 s PRO 77 CO 0.37 0.23 1.18 0.25 0.04 0.00 0.00 177.00 179.07 2x05 n THR 78 N 0.81 0.66 -1.68 1.26 -2.24 -1.26 -5.05 114.28 106.79 2x05 n THR 78 Ca 0.01 -1.65 -0.48 0.00 -2.27 0.00 0.00 64.05 59.66 2x05 n THR 78 Cb 0.48 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 2x05 n THR 78 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2x05 n SER 79 N 0.00 3.48 0.00 3.42 2.88 -1.26 -0.84 113.62 121.30 2x05 n SER 79 Ca 0.10 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 2x05 n SER 79 Cb 1.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2x05 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2x05 n GLY 80 N 4.32 0.79 3.79 0.46 0.00 -1.26 -5.05 105.19 108.24 2x05 n GLY 80 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2x05 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x05 s TRP 81 N -3.02 2.89 -0.25 1.61 0.52 -0.02 -5.00 118.94 115.66 2x05 s TRP 81 Ca 0.00 1.55 -0.18 0.00 0.02 0.00 0.00 56.10 57.49 2x05 s TRP 81 Cb 0.00 -3.11 -0.03 0.00 -1.15 0.00 0.00 33.47 29.18 2x05 s TRP 81 CO 0.00 -1.13 0.51 0.71 0.02 0.00 0.00 176.95 177.06 2x05 s TYR 82 N -2.07 3.28 0.04 -1.98 2.02 0.22 -4.77 117.35 114.09 2x05 s TYR 82 Ca 0.68 0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 57.71 2x05 s TYR 82 Cb -0.18 -2.71 -0.05 0.00 -0.40 0.00 0.00 41.96 38.62 2x05 s TYR 82 CO 0.27 -0.26 1.16 -2.14 -1.57 0.00 0.00 175.55 173.01 2x05 s PRO 83 N 2.21 4.45 0.04 -1.71 0.02 -1.26 0.01 135.00 138.76 2x05 s PRO 83 Ca 0.21 1.70 0.02 0.00 0.02 0.00 0.00 61.00 62.94 2x05 s PRO 83 Cb -0.16 -3.39 -0.02 0.00 0.02 0.00 0.00 34.50 30.95 2x05 s PRO 83 CO 0.09 -0.23 -0.06 0.14 -0.33 0.00 0.00 177.00 176.60 2x05 s VAL 84 N 1.14 0.44 0.86 3.83 -7.23 0.12 -4.77 120.40 114.79 2x05 s VAL 84 Ca 0.57 -1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 59.52 2x05 s VAL 84 Cb -0.27 -0.60 0.11 0.00 0.56 0.00 0.00 36.38 36.18 2x05 s VAL 84 CO 0.28 -0.45 1.11 -0.44 -0.31 0.00 0.00 175.10 175.30 2x05 s SER 85 N -1.66 3.91 0.72 4.85 0.01 -1.26 -0.51 113.70 119.76 2x05 s SER 85 Ca -0.10 1.16 -0.16 0.00 1.31 0.00 0.00 55.95 58.16 2x05 s SER 85 Cb -0.09 -1.82 0.03 0.00 0.21 0.00 0.00 66.02 64.35 2x05 s SER 85 CO -0.00 -2.32 1.17 -0.24 0.41 0.00 0.00 173.24 172.26 2x05 n SER 86 N -3.64 1.28 -1.02 2.44 2.88 -0.72 -3.73 113.62 111.10 2x05 n SER 86 Ca 0.07 0.70 -0.10 0.00 -1.33 0.00 0.00 58.87 58.21 2x05 n SER 86 Cb 0.58 -1.50 -0.01 0.00 -0.75 0.00 0.00 64.21 62.52 2x05 n SER 86 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2x05 n ARG 87 N -2.35 -0.75 -3.92 -1.46 1.74 -1.21 -4.93 116.66 103.79 2x05 n ARG 87 Ca 0.14 0.54 -0.35 0.00 -0.77 0.00 0.00 57.85 57.41 2x05 n ARG 87 Cb 0.49 -4.55 -0.08 0.00 -1.02 0.00 0.00 32.46 27.30 2x05 n ARG 87 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2x05 s SER 88 N -2.64 5.95 0.78 0.55 0.01 -1.01 -4.47 113.70 112.88 2x05 s SER 88 Ca 0.00 0.22 -0.11 0.00 1.31 0.00 0.00 55.95 57.38 2x05 s SER 88 Cb 0.00 -1.98 0.06 0.00 0.21 0.00 0.00 66.02 64.31 2x05 s SER 88 CO 0.00 0.25 1.09 0.42 0.41 0.00 0.00 173.24 175.41 2x05 s THR 89 N -0.07 3.30 0.14 1.44 -4.23 -1.26 -2.94 115.64 112.02 2x05 s THR 89 Ca 0.08 0.42 -0.21 0.00 -1.18 0.00 0.00 61.69 60.80 2x05 s THR 89 Cb -0.12 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.79 2x05 s THR 89 CO 0.00 -0.55 1.66 0.58 -0.54 0.00 0.00 174.62 175.78 2x05 h VAL 90 N -1.15 0.57 -0.48 2.29 2.07 -1.05 -0.90 116.25 117.61 2x05 h VAL 90 Ca -0.44 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2x05 h VAL 90 Cb 1.24 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2x05 h VAL 90 CO 0.52 0.00 0.07 0.22 0.02 0.00 0.00 177.57 178.40 2x05 h TYR 91 N -0.16 0.77 -0.64 1.57 3.20 -1.94 -0.84 116.97 118.95 2x05 h TYR 91 Ca 0.12 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2x05 h TYR 91 Cb 0.33 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 2x05 h TYR 91 CO -0.30 0.69 0.38 0.00 -1.64 0.00 0.00 178.16 177.29 2x05 h ALA 92 N 1.36 0.83 -0.26 1.82 0.00 -1.67 -0.52 119.26 120.81 2x05 h ALA 92 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2x05 h ALA 92 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2x05 h ALA 92 CO 0.01 0.12 -0.05 0.78 0.00 0.00 0.00 179.25 180.11 2x05 h GLY 93 N 0.75 0.44 1.73 0.00 0.00 0.14 -0.49 103.07 105.64 2x05 h GLY 93 Ca 0.26 -0.26 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2x05 h GLY 93 CO -0.12 0.24 -0.98 1.41 0.00 0.00 0.00 176.54 177.10 2x05 h LEU 94 N 0.39 0.31 -0.79 3.11 3.38 -0.71 -2.80 115.31 118.20 2x05 h LEU 94 Ca 0.08 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2x05 h LEU 94 Cb 0.34 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2x05 h LEU 94 CO 0.01 1.12 0.32 -0.07 0.09 0.00 0.00 178.44 179.91 2x05 h LEU 95 N 0.11 1.08 -1.56 1.67 3.38 -0.69 0.13 115.31 119.43 2x05 h LEU 95 Ca -0.07 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2x05 h LEU 95 Cb 1.64 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 2x05 h LEU 95 CO 0.15 0.96 0.34 -0.61 0.09 0.00 0.00 178.44 179.37 2x05 h GLN 96 N 1.14 0.56 -0.43 1.13 4.15 -1.01 0.41 115.11 121.06 2x05 h GLN 96 Ca 0.26 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.65 2x05 h GLN 96 Cb 0.21 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2x05 h GLN 96 CO -0.02 0.37 0.00 0.09 -1.93 0.00 0.00 178.83 177.34 2x05 n ASN 97 N -4.47 2.37 -3.63 -0.69 3.02 -1.06 -4.95 115.26 105.84 2x05 n ASN 97 Ca 0.06 -1.99 -0.24 0.00 -0.03 0.00 0.00 54.58 52.38 2x05 n ASN 97 Cb 0.14 -0.29 0.07 0.00 -0.61 0.00 0.00 39.78 39.09 2x05 n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x05 n GLY 98 N 1.21 -0.53 0.13 7.41 0.00 0.13 -4.93 105.19 108.62 2x05 n GLY 98 Ca 0.15 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.53 2x05 n GLY 98 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2x05 h LYS 99 N -2.56 0.00 -4.14 1.61 3.64 -0.95 -3.47 116.57 110.71 2x05 h LYS 99 Ca -0.57 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.69 2x05 h LYS 99 Cb 1.37 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 33.04 2x05 h LYS 99 CO 0.57 0.00 -0.61 0.71 -2.27 0.00 0.00 179.45 177.85 2x05 s TYR 100 N -3.29 0.43 1.01 1.91 2.02 -1.26 -5.04 117.35 113.13 2x05 s TYR 100 Ca 0.03 -0.95 -0.15 0.00 -0.37 0.00 0.00 57.07 55.63 2x05 s TYR 100 Cb 0.09 -0.31 0.19 0.00 -0.40 0.00 0.00 41.96 41.53 2x05 s TYR 100 CO 0.75 -0.41 1.15 0.00 -1.57 0.00 0.00 175.55 175.46 2x05 s ALA 101 N -3.85 1.38 -0.27 3.71 0.00 -1.26 -4.86 121.76 116.62 2x05 s ALA 101 Ca 0.06 -0.70 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 2x05 s ALA 101 Cb 0.07 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2x05 s ALA 101 CO -0.10 -2.75 2.02 0.34 0.00 0.00 0.00 175.76 175.28 2x05 s ASP 102 N -4.01 5.66 0.58 0.00 2.15 -1.26 -4.86 116.67 114.93 2x05 s ASP 102 Ca 0.67 1.63 0.38 0.00 0.43 0.00 0.00 52.55 55.67 2x05 s ASP 102 Cb -0.13 -2.52 2.01 0.00 -0.30 0.00 0.00 42.92 41.99 2x05 s ASP 102 CO 0.55 -1.84 2.17 1.55 -0.17 0.00 0.00 175.17 177.43 2x05 h PRO 103 N 14.03 0.00 0.00 4.34 0.13 -1.92 -1.75 132.00 146.83 2x05 h PRO 103 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2x05 h PRO 103 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2x05 h PRO 103 CO 0.99 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.95 2x05 n PHE 104 N -2.91 0.11 -4.10 1.56 3.01 -1.26 -4.45 117.46 109.41 2x05 n PHE 104 Ca -0.02 0.04 -0.35 0.00 1.01 0.00 0.00 57.45 58.13 2x05 n PHE 104 Cb 0.11 -0.56 -0.14 0.00 -0.01 0.00 0.00 39.48 38.88 2x05 n PHE 104 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2x05 s TYR 105 N -3.03 2.95 0.00 1.38 5.04 -0.66 -4.41 117.35 118.62 2x05 s TYR 105 Ca 0.10 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 53.94 2x05 s TYR 105 Cb 0.14 -2.05 0.00 0.00 0.35 0.00 0.00 41.96 40.40 2x05 s TYR 105 CO 0.41 -0.42 0.00 0.45 -1.34 0.00 0.00 175.55 174.64 2x05 n SER 106 N 4.44 0.00 -1.79 4.32 2.88 0.04 -2.09 113.62 121.42 2x05 n SER 106 Ca -0.18 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.40 2x05 n SER 106 Cb 0.51 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.34 2x05 n SER 106 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2x05 n THR 107 N 0.00 2.76 -0.31 2.46 -2.24 -1.26 -4.65 114.28 111.03 2x05 n THR 107 Ca 0.00 -1.55 0.17 0.00 -2.27 0.00 0.00 64.05 60.40 2x05 n THR 107 Cb 0.00 -0.30 0.36 0.00 -2.10 0.00 0.00 70.33 68.29 2x05 n THR 107 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2x05 h ASN 108 N 3.36 0.03 0.05 3.42 2.35 -1.68 0.00 115.58 123.10 2x05 h ASN 108 Ca 0.07 0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2x05 h ASN 108 Cb 2.01 0.29 -0.00 0.00 0.05 0.00 0.00 38.32 40.66 2x05 h ASN 108 CO 0.52 -0.23 -0.05 -0.03 -1.65 0.00 0.00 177.43 176.00 2x05 h MET 109 N 0.16 0.00 -0.07 0.81 4.05 -1.82 -1.19 114.93 116.87 2x05 h MET 109 Ca 0.63 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.97 2x05 h MET 109 Cb 1.36 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.15 2x05 h MET 109 CO -0.71 0.05 -0.30 1.96 0.23 0.00 0.00 176.91 178.13 2x05 h GLN 110 N 0.00 0.13 0.00 0.39 4.20 -1.36 -2.99 115.11 115.48 2x05 h GLN 110 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2x05 h GLN 110 Cb 0.08 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2x05 h GLN 110 CO 0.01 0.43 0.00 0.09 -0.67 0.00 0.00 178.83 178.69 2x05 n ASN 111 N -4.14 0.00 -4.60 1.46 3.02 -0.45 -4.70 115.26 105.85 2x05 n ASN 111 Ca -0.01 -1.26 -0.41 0.00 -0.03 0.00 0.00 54.58 52.87 2x05 n ASN 111 Cb 0.38 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.47 2x05 n ASN 111 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2x05 s VAL 112 N -2.00 5.02 -0.12 2.41 1.01 -1.13 -5.02 120.40 120.58 2x05 s VAL 112 Ca 0.13 0.76 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 2x05 s VAL 112 Cb 0.06 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2x05 s VAL 112 CO 0.10 -0.04 1.92 -2.84 0.00 0.00 0.00 175.10 174.25 2x05 s PRO 113 N 2.41 3.75 0.09 2.72 0.02 -1.26 -4.86 135.00 137.87 2x05 s PRO 113 Ca 0.22 2.15 0.24 0.00 0.02 0.00 0.00 61.00 63.63 2x05 s PRO 113 Cb -0.15 -4.18 0.32 0.00 0.02 0.00 0.00 34.50 30.51 2x05 s PRO 113 CO 0.11 -1.38 1.29 0.00 -0.33 0.00 0.00 177.00 176.68 2x05 n ALA 114 N 8.99 3.08 -0.23 -1.55 0.00 -1.26 -4.23 120.51 125.30 2x05 n ALA 114 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2x05 n ALA 114 Cb 0.43 -1.13 0.12 0.00 0.00 0.00 0.00 19.45 18.88 2x05 n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x05 h ALA 115 N 2.59 0.93 0.00 0.00 0.00 -1.90 -1.26 119.26 119.61 2x05 h ALA 115 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x05 h ALA 115 Cb 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2x05 h ALA 115 CO 0.00 -0.05 0.18 0.00 0.00 0.00 0.00 179.25 179.38 2x05 n GLN 116 N -4.87 0.08 -0.50 0.00 10.64 -1.26 -0.46 117.38 121.01 2x05 n GLN 116 Ca 0.10 0.54 0.10 0.00 -1.83 0.00 0.00 57.00 55.91 2x05 n GLN 116 Cb 0.25 -1.95 0.32 0.00 -0.86 0.00 0.00 30.24 28.00 2x05 n GLN 116 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2x05 n PHE 117 N -1.95 1.22 -0.10 2.61 3.72 -0.48 -4.06 117.46 118.42 2x05 n PHE 117 Ca -0.01 -0.59 0.11 0.00 -0.05 0.00 0.00 57.45 56.91 2x05 n PHE 117 Cb 0.20 -0.17 0.29 0.00 -0.94 0.00 0.00 39.48 38.87 2x05 n PHE 117 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2x05 n SER 118 N 1.08 3.57 -4.54 4.37 7.64 0.39 -4.65 113.62 121.48 2x05 n SER 118 Ca 0.24 -2.00 -0.25 0.00 1.01 0.00 0.00 58.87 57.87 2x05 n SER 118 Cb 0.78 -0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 63.43 2x05 n SER 118 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2x05 s VAL 119 N -1.13 1.71 0.71 0.44 -7.23 -1.26 -4.87 120.40 108.77 2x05 s VAL 119 Ca 0.44 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.47 2x05 s VAL 119 Cb 0.23 -2.86 0.02 0.00 0.56 0.00 0.00 36.38 34.33 2x05 s VAL 119 CO 0.31 -0.04 1.09 -2.84 -0.31 0.00 0.00 175.10 173.31 2x05 s PRO 120 N -3.77 2.63 -0.02 4.82 0.02 -1.26 -4.32 135.00 133.10 2x05 s PRO 120 Ca 0.35 1.22 0.08 0.00 0.02 0.00 0.00 61.00 62.67 2x05 s PRO 120 Cb 0.09 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 2x05 s PRO 120 CO 0.17 -1.36 -0.26 -1.58 -0.33 0.00 0.00 177.00 173.64 2x05 s TRP 121 N -2.68 2.31 0.09 6.54 0.52 -0.55 -0.28 118.94 124.89 2x05 s TRP 121 Ca 0.63 -0.46 -0.21 0.00 0.02 0.00 0.00 56.10 56.09 2x05 s TRP 121 Cb -0.18 -1.49 -0.07 0.00 -1.15 0.00 0.00 33.47 30.59 2x05 s TRP 121 CO 0.49 -0.05 0.61 -1.58 0.02 0.00 0.00 176.95 176.44 2x05 s TRP 122 N -0.56 3.83 -0.23 -1.98 0.52 0.68 -0.51 118.94 120.68 2x05 s TRP 122 Ca 0.09 1.35 -0.02 0.00 0.02 0.00 0.00 56.10 57.53 2x05 s TRP 122 Cb -0.10 -2.56 0.01 0.00 -1.15 0.00 0.00 33.47 29.68 2x05 s TRP 122 CO -0.01 0.57 -0.06 0.71 0.02 0.00 0.00 176.95 178.18 2x05 s TYR 123 N -1.10 3.00 -0.01 -1.98 2.02 0.32 -2.79 117.35 116.82 2x05 s TYR 123 Ca 0.30 -1.34 0.03 0.00 -0.37 0.00 0.00 57.07 55.69 2x05 s TYR 123 Cb -0.20 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 2x05 s TYR 123 CO 0.20 -0.67 -0.09 0.50 -1.57 0.00 0.00 175.55 173.92 2x05 s ARG 124 N 1.38 0.71 0.01 -0.62 3.52 -0.58 -0.35 118.95 123.01 2x05 s ARG 124 Ca 0.03 -0.31 -0.19 0.00 -0.13 0.00 0.00 55.73 55.13 2x05 s ARG 124 Cb -0.15 -0.68 0.04 0.00 -1.56 0.00 0.00 34.95 32.59 2x05 s ARG 124 CO -0.05 0.19 0.41 -0.08 -0.81 0.00 0.00 175.30 174.96 2x05 s THR 125 N -0.20 0.05 0.50 4.11 -1.32 -0.79 -0.53 115.64 117.46 2x05 s THR 125 Ca 0.03 -0.40 -0.15 0.00 -1.21 0.00 0.00 61.69 59.97 2x05 s THR 125 Cb -0.03 -0.83 -0.07 0.00 -1.51 0.00 0.00 72.50 70.05 2x05 s THR 125 CO -0.00 -0.22 0.94 -1.81 -2.21 0.00 0.00 174.62 171.32 2x05 s ASP 126 N -1.62 6.56 -0.05 8.08 1.01 -1.26 -1.56 116.67 127.83 2x05 s ASP 126 Ca -0.09 1.46 -0.02 0.00 0.71 0.00 0.00 52.55 54.60 2x05 s ASP 126 Cb -0.02 -2.46 0.04 0.00 1.01 0.00 0.00 42.92 41.48 2x05 s ASP 126 CO 0.02 -0.57 0.10 -1.48 0.21 0.00 0.00 175.17 173.45 2x05 s LEU 127 N -4.13 0.71 0.02 1.23 0.05 0.28 -4.90 118.68 111.94 2x05 s LEU 127 Ca 0.57 0.21 -0.21 0.00 0.05 0.00 0.00 54.13 54.74 2x05 s LEU 127 Cb -0.10 0.18 -0.06 0.00 -2.05 0.00 0.00 46.19 44.16 2x05 s LEU 127 CO 0.34 -0.16 0.62 0.21 -0.55 0.00 0.00 176.35 176.80 2x05 s ASN 128 N 1.32 7.03 -0.24 1.48 3.84 -1.26 -0.60 114.94 126.51 2x05 s ASN 128 Ca -0.07 1.23 -0.00 0.00 0.21 0.00 0.00 52.86 54.22 2x05 s ASN 128 Cb -0.12 -2.38 0.07 0.00 -0.55 0.00 0.00 41.25 38.27 2x05 s ASN 128 CO -0.05 0.13 0.00 -0.69 -2.79 0.00 0.00 177.10 173.70 2x05 s VAL 129 N -0.37 1.20 0.00 -5.21 1.01 0.28 -4.97 120.40 112.34 2x05 s VAL 129 Ca 0.32 -1.13 0.27 0.00 0.00 0.00 0.00 61.98 61.43 2x05 s VAL 129 Cb -0.19 -1.62 0.30 0.00 0.00 0.00 0.00 36.38 34.87 2x05 s VAL 129 CO 0.18 -0.25 1.82 0.44 0.00 0.00 0.00 175.10 177.30 2x05 h ASP 130 N 8.03 0.00 -3.10 3.32 3.32 -1.91 0.40 116.42 126.49 2x05 h ASP 130 Ca -0.16 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 2x05 h ASP 130 Cb 1.07 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.37 2x05 h ASP 130 CO 0.41 0.12 -0.20 -0.62 -1.72 0.00 0.00 179.24 177.22 2x05 s ASP 131 N -6.03 -0.64 -0.47 6.45 3.68 -1.26 -4.83 116.67 113.58 2x05 s ASP 131 Ca 0.02 1.10 0.03 0.00 2.13 0.00 0.00 52.55 55.82 2x05 s ASP 131 Cb 0.09 1.01 0.58 0.00 -1.45 0.00 0.00 42.92 43.15 2x05 s ASP 131 CO 0.61 -0.21 1.90 0.35 0.13 0.00 0.00 175.17 177.95 2x05 n THR 132 N 4.36 3.17 0.01 1.71 -2.24 -1.26 -4.30 114.28 115.73 2x05 n THR 132 Ca -0.21 -2.01 -0.18 0.00 -2.27 0.00 0.00 64.05 59.38 2x05 n THR 132 Cb 0.56 -0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 68.03 2x05 n THR 132 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2x05 h SER 133 N 1.15 0.62 -3.84 3.42 0.87 -1.98 -3.45 113.55 110.34 2x05 h SER 133 Ca 0.59 -0.74 -0.49 0.00 -1.23 0.00 0.00 61.79 59.92 2x05 h SER 133 Cb 2.34 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 64.11 2x05 h SER 133 CO 1.14 1.28 0.40 -0.44 -0.53 0.00 0.00 176.83 178.67 2x05 s SER 134 N -6.84 7.28 0.76 6.23 0.01 -1.26 -4.94 113.70 114.94 2x05 s SER 134 Ca -0.12 2.05 -0.14 0.00 1.31 0.00 0.00 55.95 59.04 2x05 s SER 134 Cb 0.04 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.73 2x05 s SER 134 CO 0.84 -0.12 1.20 -0.13 0.41 0.00 0.00 173.24 175.44 2x05 s ARG 135 N -1.72 1.96 -0.05 12.44 0.52 0.25 -4.83 118.95 127.52 2x05 s ARG 135 Ca 0.47 1.72 0.02 0.00 -0.52 0.00 0.00 55.73 57.43 2x05 s ARG 135 Cb -0.25 -1.82 0.01 0.00 0.52 0.00 0.00 34.95 33.41 2x05 s ARG 135 CO 0.32 -1.96 -0.11 0.99 0.02 0.00 0.00 175.30 174.56 2x05 s THR 136 N -2.11 0.98 0.01 0.02 2.01 -1.26 -2.49 115.64 112.80 2x05 s THR 136 Ca 0.73 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 62.34 2x05 s THR 136 Cb -0.28 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 2x05 s THR 136 CO 0.48 0.31 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.31 2x05 s TYR 137 N 0.46 0.85 -0.31 4.92 2.02 0.12 -0.22 117.35 125.19 2x05 s TYR 137 Ca -0.09 -0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 2x05 s TYR 137 Cb -0.13 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 2x05 s TYR 137 CO 0.02 -0.01 0.20 -0.51 -1.57 0.00 0.00 175.55 173.68 2x05 s LEU 138 N -0.60 4.22 -0.18 -1.29 1.43 -0.46 0.59 118.68 122.38 2x05 s LEU 138 Ca 0.01 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2x05 s LEU 138 Cb -0.05 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.09 2x05 s LEU 138 CO 0.00 -0.15 -0.19 -0.62 0.23 0.00 0.00 176.35 175.62 2x05 s ASP 139 N 1.72 3.16 0.25 2.29 2.15 -0.08 -0.17 116.67 125.99 2x05 s ASP 139 Ca 0.06 -0.68 -0.20 0.00 0.43 0.00 0.00 52.55 52.17 2x05 s ASP 139 Cb -0.17 -1.45 0.02 0.00 -0.30 0.00 0.00 42.92 41.02 2x05 s ASP 139 CO 0.10 -0.02 0.65 0.72 -0.17 0.00 0.00 175.17 176.45 2x05 s PHE 140 N 1.30 -0.15 0.02 -5.34 -0.12 -0.63 -0.56 117.98 112.49 2x05 s PHE 140 Ca 0.04 -0.24 -0.00 0.00 -0.05 0.00 0.00 56.93 56.68 2x05 s PHE 140 Cb -0.13 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 2x05 s PHE 140 CO -0.12 -1.11 0.02 -1.13 -0.05 0.00 0.00 175.22 172.83 2x05 n SER 141 N -0.42 -0.06 -0.31 1.98 3.41 -1.26 -1.40 113.62 115.55 2x05 n SER 141 Ca -0.06 -1.08 -0.03 0.00 -0.26 0.00 0.00 58.87 57.44 2x05 n SER 141 Cb 0.61 0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.67 2x05 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x05 n GLY 142 N -0.03 0.30 3.60 5.00 0.00 0.62 -4.15 105.19 110.53 2x05 n GLY 142 Ca -0.00 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2x05 n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x05 s VAL 143 N -2.14 4.96 -0.24 1.61 1.01 -1.24 -0.57 120.40 123.79 2x05 s VAL 143 Ca 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 61.98 62.82 2x05 s VAL 143 Cb 0.00 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2x05 s VAL 143 CO 0.00 -0.10 -0.04 -0.76 0.00 0.00 0.00 175.10 174.20 2x05 s LEU 144 N 2.56 3.13 -0.05 3.92 1.43 -0.47 -2.86 118.68 126.33 2x05 s LEU 144 Ca 0.25 -0.65 0.19 0.00 -1.03 0.00 0.00 54.13 52.89 2x05 s LEU 144 Cb -0.15 -1.72 -0.29 0.00 0.03 0.00 0.00 46.19 44.06 2x05 s LEU 144 CO 0.11 -0.09 0.38 -1.54 0.23 0.00 0.00 176.35 175.44 2x05 n SER 145 N 4.75 0.50 -3.61 2.29 3.41 -0.98 -1.63 113.62 118.35 2x05 n SER 145 Ca -0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 2x05 n SER 145 Cb 0.49 1.77 -0.01 0.00 -0.26 0.00 0.00 64.21 66.19 2x05 n SER 145 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2x05 s LYS 146 N -3.24 0.54 -0.00 4.33 -2.85 -1.26 -0.61 119.74 116.64 2x05 s LYS 146 Ca -0.07 -0.25 -0.26 0.00 -1.00 0.00 0.00 55.97 54.38 2x05 s LYS 146 Cb 0.12 0.21 0.06 0.00 -2.06 0.00 0.00 37.83 36.16 2x05 s LYS 146 CO 0.81 -0.24 0.59 0.00 0.10 0.00 0.00 175.35 176.60 2x05 s ALA 147 N -2.65 -1.52 0.04 0.59 0.00 -0.12 -0.86 121.76 117.24 2x05 s ALA 147 Ca 0.11 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 2x05 s ALA 147 Cb 0.01 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2x05 s ALA 147 CO -0.04 -0.42 0.56 -0.51 0.00 0.00 0.00 175.76 175.35 2x05 s ASP 148 N -1.52 7.01 -0.13 0.00 1.01 -0.57 -1.80 116.67 120.67 2x05 s ASP 148 Ca -0.09 1.20 -0.00 0.00 0.71 0.00 0.00 52.55 54.37 2x05 s ASP 148 Cb -0.01 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2x05 s ASP 148 CO 0.05 0.23 -0.12 -0.69 0.21 0.00 0.00 175.17 174.85 2x05 s VAL 149 N -0.85 3.15 -0.03 -1.27 1.01 0.98 -1.04 120.40 122.35 2x05 s VAL 149 Ca 0.29 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2x05 s VAL 149 Cb -0.19 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 2x05 s VAL 149 CO 0.18 0.53 -0.12 0.26 0.00 0.00 0.00 175.10 175.94 2x05 s TRP 150 N 0.28 1.21 -0.05 5.22 0.52 -0.47 -0.25 118.94 125.39 2x05 s TRP 150 Ca -0.09 -0.31 0.00 0.00 0.02 0.00 0.00 56.10 55.72 2x05 s TRP 150 Cb -0.15 -0.83 0.03 0.00 -1.15 0.00 0.00 33.47 31.36 2x05 s TRP 150 CO 0.05 -0.11 -0.02 0.08 0.02 0.00 0.00 176.95 176.98 2x05 s VAL 151 N 0.06 0.41 -1.07 4.03 1.01 -0.15 -1.54 120.40 123.16 2x05 s VAL 151 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2x05 s VAL 151 Cb -0.09 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2x05 s VAL 151 CO 0.01 0.22 0.13 0.59 0.00 0.00 0.00 175.10 176.05 2x05 n ASN 152 N 4.49 -3.79 0.00 3.32 3.02 -0.53 -1.12 115.26 120.64 2x05 n ASN 152 Ca -0.18 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2x05 n ASN 152 Cb 0.50 -3.21 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 2x05 n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x05 n GLY 153 N -0.89 0.74 3.36 7.41 0.00 -1.21 -4.65 105.19 109.95 2x05 n GLY 153 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2x05 n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x05 s THR 154 N -2.67 2.84 -0.52 2.61 2.01 -0.28 -4.88 115.64 114.74 2x05 s THR 154 Ca 0.00 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 60.96 2x05 s THR 154 Cb 0.00 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.37 2x05 s THR 154 CO 0.00 0.54 1.40 -0.75 -0.69 0.00 0.00 174.62 175.13 2x05 s LYS 155 N 0.13 3.38 0.19 4.92 2.20 -1.26 -0.97 119.74 128.31 2x05 s LYS 155 Ca -0.08 0.57 0.24 0.00 -0.36 0.00 0.00 55.97 56.33 2x05 s LYS 155 Cb -0.15 -4.09 0.24 0.00 -1.51 0.00 0.00 37.83 32.31 2x05 s LYS 155 CO 0.05 -1.84 1.27 -0.39 -0.36 0.00 0.00 175.35 174.09 2x05 h VAL 156 N 6.40 0.00 -1.83 4.02 -1.51 -0.99 -3.48 116.25 118.87 2x05 h VAL 156 Ca -0.27 -0.72 0.04 0.00 -1.23 0.00 0.00 66.70 64.52 2x05 h VAL 156 Cb 1.09 1.34 -0.20 0.00 -2.13 0.00 0.00 31.29 31.39 2x05 h VAL 156 CO 1.16 0.00 0.43 0.00 -1.23 0.00 0.00 177.57 177.93 2x05 s ALA 157 N -3.24 -1.86 0.40 5.19 0.00 -1.06 -4.98 121.76 116.20 2x05 s ALA 157 Ca 0.04 1.40 0.08 0.00 0.00 0.00 0.00 51.96 53.48 2x05 s ALA 157 Cb 0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2x05 s ALA 157 CO 0.74 -0.39 0.17 0.95 0.00 0.00 0.00 175.76 177.22 2x05 s THR 158 N -1.50 2.44 -1.01 0.00 -4.23 -1.26 -0.01 115.64 110.07 2x05 s THR 158 Ca -0.03 -1.70 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 2x05 s THR 158 Cb -0.00 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.91 2x05 s THR 158 CO 0.02 -0.04 1.20 2.29 -0.54 0.00 0.00 174.62 177.55 2x05 n LYS 159 N -1.22 0.00 0.09 3.99 2.85 -0.75 -0.85 118.16 122.27 2x05 n LYS 159 Ca -0.01 0.39 -0.08 0.00 -1.05 0.00 0.00 58.31 57.55 2x05 n LYS 159 Cb 0.64 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.51 2x05 n LYS 159 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2x05 h ASP 160 N 0.00 0.23 0.01 -5.58 3.32 -1.95 -3.37 116.42 109.08 2x05 h ASP 160 Ca 0.00 -0.19 -0.28 0.00 0.02 0.00 0.00 57.03 56.59 2x05 h ASP 160 Cb 0.11 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2x05 h ASP 160 CO 0.00 1.00 -1.51 1.67 -1.72 0.00 0.00 179.24 178.68 2x05 n GLN 161 N -3.64 0.58 -2.88 3.56 7.27 -0.47 -4.71 117.38 117.09 2x05 n GLN 161 Ca -0.03 0.51 -0.44 0.00 0.07 0.00 0.00 57.00 57.11 2x05 n GLN 161 Cb 0.81 -1.70 -0.01 0.00 2.41 0.00 0.00 30.24 31.75 2x05 n GLN 161 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2x05 s VAL 162 N -2.40 4.82 -0.12 1.69 1.01 -0.03 -4.93 120.40 120.43 2x05 s VAL 162 Ca -0.30 -2.25 -0.05 0.00 0.00 0.00 0.00 61.98 59.37 2x05 s VAL 162 Cb 0.07 -4.92 0.06 0.00 0.00 0.00 0.00 36.38 31.59 2x05 s VAL 162 CO 0.58 -1.66 0.26 0.21 0.00 0.00 0.00 175.10 174.49 2x05 s ASN 163 N 3.25 0.15 0.00 3.32 3.84 -1.26 -0.95 114.94 123.30 2x05 s ASN 163 Ca 0.42 0.57 0.00 0.00 0.21 0.00 0.00 52.86 54.06 2x05 s ASN 163 Cb -0.02 0.60 0.00 0.00 -0.55 0.00 0.00 41.25 41.27 2x05 s ASN 163 CO -0.01 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 174.69 2x05 n GLY 164 N 4.97 1.64 0.40 1.21 0.00 0.22 -4.70 105.19 108.93 2x05 n GLY 164 Ca -0.13 -1.34 0.19 0.00 0.00 0.00 0.00 46.02 44.75 2x05 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 h ALA 165 N 0.00 2.22 -0.01 4.61 0.00 -1.34 -2.61 119.26 122.14 2x05 h ALA 165 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x05 h ALA 165 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x05 h ALA 165 CO 0.00 -0.51 -0.64 0.66 0.00 0.00 0.00 179.25 178.77 2x05 n TYR 166 N -4.51 0.00 -2.64 0.00 4.02 -1.26 -0.28 117.16 112.49 2x05 n TYR 166 Ca 0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.68 2x05 n TYR 166 Cb 0.71 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 39.92 2x05 n TYR 166 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2x05 s THR 167 N -2.76 4.20 0.15 -0.72 -4.23 -0.98 -4.57 115.64 106.73 2x05 s THR 167 Ca 0.14 1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 62.41 2x05 s THR 167 Cb 0.17 -4.20 -0.07 0.00 1.34 0.00 0.00 72.50 69.75 2x05 s THR 167 CO 0.69 0.31 0.51 -0.60 -0.54 0.00 0.00 174.62 175.00 2x05 s ARG 168 N -0.21 3.88 0.00 3.99 3.52 -1.26 -4.41 118.95 124.46 2x05 s ARG 168 Ca 0.48 0.36 0.02 0.00 -0.13 0.00 0.00 55.73 56.45 2x05 s ARG 168 Cb -0.26 -2.88 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2x05 s ARG 168 CO 0.32 0.46 -0.06 -1.01 -0.81 0.00 0.00 175.30 174.20 2x05 s HIS 169 N -1.54 0.50 -0.37 5.12 3.76 -0.50 -5.00 115.29 117.27 2x05 s HIS 169 Ca 0.39 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2x05 s HIS 169 Cb -0.14 -0.32 0.14 0.00 1.11 0.00 0.00 32.58 33.37 2x05 s HIS 169 CO 0.19 -0.02 0.21 0.34 -0.85 0.00 0.00 174.74 174.61 2x05 s ASP 170 N -0.38 3.20 -0.27 1.40 2.15 -1.25 -1.61 116.67 119.92 2x05 s ASP 170 Ca -0.00 -2.25 -0.10 0.00 0.43 0.00 0.00 52.55 50.63 2x05 s ASP 170 Cb -0.03 -0.58 -0.05 0.00 -0.30 0.00 0.00 42.92 41.96 2x05 s ASP 170 CO -0.00 -0.31 0.17 -0.76 -0.17 0.00 0.00 175.17 174.10 2x05 s LEU 171 N 0.94 3.98 -0.53 -1.34 1.43 0.76 -4.92 118.68 119.00 2x05 s LEU 171 Ca 0.17 -0.00 -0.27 0.00 -1.03 0.00 0.00 54.13 53.00 2x05 s LEU 171 Cb -0.23 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 43.93 2x05 s LEU 171 CO -0.01 -0.02 1.08 -0.62 0.23 0.00 0.00 176.35 177.01 2x05 s ASP 172 N 1.57 6.48 -0.25 2.29 -1.08 -1.26 -1.35 116.67 123.07 2x05 s ASP 172 Ca 0.07 0.11 0.13 0.00 -0.52 0.00 0.00 52.55 52.34 2x05 s ASP 172 Cb -0.15 -2.51 0.59 0.00 -1.46 0.00 0.00 42.92 39.38 2x05 s ASP 172 CO 0.09 -1.30 1.54 2.30 0.52 0.00 0.00 175.17 178.32 2x05 n ILE 173 N 6.58 2.53 -0.30 4.11 -5.35 0.69 -4.67 119.36 122.95 2x05 n ILE 173 Ca 0.08 -2.02 -0.04 0.00 -0.27 0.00 0.00 62.75 60.50 2x05 n ILE 173 Cb 0.49 -0.30 0.08 0.00 -1.74 0.00 0.00 39.64 38.16 2x05 n ILE 173 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2x05 h THR 174 N 1.87 1.21 -0.32 7.28 2.02 -1.88 -2.54 112.91 120.56 2x05 h THR 174 Ca 0.12 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2x05 h THR 174 Cb 1.74 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 2x05 h THR 174 CO 0.40 0.21 0.14 0.00 0.37 0.00 0.00 175.52 176.64 2x05 h ALA 175 N 1.30 1.65 0.00 6.16 0.00 -1.93 -3.10 119.26 123.35 2x05 h ALA 175 Ca 0.30 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2x05 h ALA 175 Cb -0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2x05 h ALA 175 CO -0.07 0.28 -1.29 1.04 0.00 0.00 0.00 179.25 179.22 2x05 n GLN 176 N -4.42 0.62 -2.78 0.00 3.00 -1.04 -4.92 117.38 107.84 2x05 n GLN 176 Ca 0.02 0.09 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 2x05 n GLN 176 Cb 0.13 -1.77 -0.05 0.00 0.00 0.00 0.00 30.24 28.55 2x05 n GLN 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2x05 s VAL 177 N -3.27 4.51 0.43 5.09 1.01 -0.99 -4.80 120.40 122.39 2x05 s VAL 177 Ca -0.03 1.98 0.03 0.00 0.00 0.00 0.00 61.98 63.97 2x05 s VAL 177 Cb 0.10 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2x05 s VAL 177 CO 0.82 0.34 0.06 -1.38 0.00 0.00 0.00 175.10 174.93 2x05 s HIS 178 N -0.11 1.95 0.03 5.22 -3.43 -1.26 -4.99 115.29 112.70 2x05 s HIS 178 Ca 0.45 -1.03 -0.30 0.00 -0.80 0.00 0.00 55.06 53.37 2x05 s HIS 178 Cb -0.23 -1.42 -0.06 0.00 -1.43 0.00 0.00 32.58 29.44 2x05 s HIS 178 CO 0.29 0.04 1.34 0.95 -2.00 0.00 0.00 174.74 175.36 2x05 s THR 179 N -3.05 3.74 0.00 -5.38 -4.23 -1.26 -4.66 115.64 100.80 2x05 s THR 179 Ca 0.22 1.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 2x05 s THR 179 Cb 0.04 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.13 2x05 s THR 179 CO 0.11 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2x05 n GLY 180 N 3.50 0.57 3.68 3.99 0.00 0.14 -4.96 105.19 112.12 2x05 n GLY 180 Ca 0.12 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2x05 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x05 s VAL 181 N 0.00 3.77 0.23 1.61 1.01 -1.26 -0.55 120.40 125.20 2x05 s VAL 181 Ca 0.00 1.11 0.10 0.00 0.00 0.00 0.00 61.98 63.19 2x05 s VAL 181 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2x05 s VAL 181 CO 0.00 -0.02 -0.19 0.20 0.00 0.00 0.00 175.10 175.09 2x05 s ASN 182 N 2.01 3.13 0.03 3.32 0.01 0.23 -4.88 114.94 118.78 2x05 s ASN 182 Ca 0.64 -0.97 0.02 0.00 -0.71 0.00 0.00 52.86 51.83 2x05 s ASN 182 Cb -0.30 -0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.11 2x05 s ASN 182 CO 0.26 -0.02 -0.07 -0.44 -1.51 0.00 0.00 177.10 175.32 2x05 s SER 183 N -3.18 0.71 -0.02 -1.22 0.01 -1.26 1.00 113.70 109.74 2x05 s SER 183 Ca 0.24 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.07 2x05 s SER 183 Cb -0.04 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 2x05 s SER 183 CO 0.11 -0.18 -0.11 -0.69 0.41 0.00 0.00 173.24 172.78 2x05 s VAL 184 N -1.18 0.92 -0.00 3.43 1.01 -0.60 -1.46 120.40 122.51 2x05 s VAL 184 Ca -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2x05 s VAL 184 Cb -0.09 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 2x05 s VAL 184 CO 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 175.10 175.32 2x05 s ALA 185 N -0.09 0.45 -0.21 5.51 0.00 -0.59 -1.88 121.76 124.95 2x05 s ALA 185 Ca 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 2x05 s ALA 185 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2x05 s ALA 185 CO 0.00 0.11 0.02 -0.06 0.00 0.00 0.00 175.76 175.82 2x05 s PHE 186 N -0.10 3.06 -0.57 0.00 0.08 0.52 -1.37 117.98 119.59 2x05 s PHE 186 Ca 0.02 -0.44 -0.23 0.00 0.12 0.00 0.00 56.93 56.39 2x05 s PHE 186 Cb -0.02 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.36 2x05 s PHE 186 CO -0.00 -0.26 0.92 0.21 -0.10 0.00 0.00 175.22 175.99 2x05 s LYS 187 N 1.11 3.26 -0.23 0.44 2.20 -0.20 -0.52 119.74 125.79 2x05 s LYS 187 Ca 0.03 -0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 55.02 2x05 s LYS 187 Cb -0.14 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 2x05 s LYS 187 CO 0.02 -1.55 0.40 0.08 -0.36 0.00 0.00 175.35 173.94 2x05 s VAL 188 N 3.87 5.18 0.41 4.02 1.01 0.34 -1.50 120.40 133.72 2x05 s VAL 188 Ca 0.27 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 2x05 s VAL 188 Cb -0.14 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 2x05 s VAL 188 CO 0.16 0.21 0.76 -0.31 0.00 0.00 0.00 175.10 175.92 2x05 s TYR 189 N 1.63 3.48 0.74 5.22 2.02 -0.04 -1.49 117.35 128.92 2x05 s TYR 189 Ca 0.18 1.01 -0.15 0.00 -0.37 0.00 0.00 57.07 57.73 2x05 s TYR 189 Cb -0.15 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2x05 s TYR 189 CO 0.09 -0.11 0.83 -2.30 -1.57 0.00 0.00 175.55 172.48 2x05 n PRO 190 N -1.38 0.36 -4.19 -1.71 -0.02 -1.26 -2.32 135.00 124.48 2x05 n PRO 190 Ca 0.02 0.18 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 2x05 n PRO 190 Cb 0.54 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 2x05 n PRO 190 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2x05 s ASN 191 N -1.67 5.17 -0.26 2.55 2.47 -1.26 -4.05 114.94 117.89 2x05 s ASN 191 Ca 0.70 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.93 2x05 s ASN 191 Cb -0.33 -1.87 0.07 0.00 -1.45 0.00 0.00 41.25 37.68 2x05 s ASN 191 CO 0.54 0.16 0.01 -0.62 -3.72 0.00 0.00 177.10 173.47 2x05 s ASP 192 N 0.44 3.82 0.60 -4.21 -1.08 -1.26 -4.75 116.67 110.22 2x05 s ASP 192 Ca -0.00 -1.33 0.36 0.00 -0.52 0.00 0.00 52.55 51.05 2x05 s ASP 192 Cb -0.13 -1.04 1.93 0.00 -1.46 0.00 0.00 42.92 42.22 2x05 s ASP 192 CO 0.02 -0.31 2.23 1.55 0.52 0.00 0.00 175.17 179.18 2x05 h PRO 193 N 8.01 0.00 0.00 4.34 0.13 -1.80 0.84 132.00 143.51 2x05 h PRO 193 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2x05 h PRO 193 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2x05 h PRO 193 CO 0.42 0.03 -0.09 -0.91 -0.23 0.00 0.00 178.00 177.23 2x05 h ASN 194 N 0.00 0.00 0.00 1.44 -0.26 -1.92 -0.97 115.58 113.86 2x05 h ASN 194 Ca -0.00 -0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.48 2x05 h ASN 194 Cb 0.14 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.36 2x05 h ASN 194 CO 0.00 0.00 -1.98 -1.14 -1.06 0.00 0.00 177.43 173.25 2x05 n ARG 195 N -3.06 0.84 -4.15 0.81 0.63 0.89 -2.14 116.66 110.48 2x05 n ARG 195 Ca 0.04 0.07 -0.35 0.00 -0.92 0.00 0.00 57.85 56.69 2x05 n ARG 195 Cb 0.53 -1.35 -0.08 0.00 0.45 0.00 0.00 32.46 32.01 2x05 n ARG 195 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2x05 s ASP 196 N -5.40 5.69 -1.11 6.15 1.01 0.25 -4.94 116.67 118.32 2x05 s ASP 196 Ca -0.19 0.22 -0.22 0.00 0.71 0.00 0.00 52.55 53.07 2x05 s ASP 196 Cb 0.05 -1.67 -0.03 0.00 1.01 0.00 0.00 42.92 42.28 2x05 s ASP 196 CO 0.45 0.34 1.83 -0.76 0.21 0.00 0.00 175.17 177.24 2x05 s LEU 197 N -1.28 3.30 0.00 1.23 1.43 -1.26 -4.56 118.68 117.54 2x05 s LEU 197 Ca 0.18 -1.54 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 2x05 s LEU 197 Cb -0.12 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.53 2x05 s LEU 197 CO 0.08 -2.39 0.00 -0.24 0.23 0.00 0.00 176.35 174.03 2x05 n SER 198 N 12.31 0.19 -3.82 2.29 2.88 -1.26 -2.50 113.62 123.71 2x05 n SER 198 Ca 0.43 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 2x05 n SER 198 Cb 0.47 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.80 2x05 n SER 198 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2x05 s MET 199 N 4.12 0.13 0.23 -1.46 -1.94 -1.26 -4.84 119.30 114.27 2x05 s MET 199 Ca 0.00 0.19 -0.05 0.00 -1.71 0.00 0.00 55.69 54.12 2x05 s MET 199 Cb 0.00 0.03 -0.02 0.00 2.01 0.00 0.00 34.83 36.84 2x05 s MET 199 CO 0.00 -0.04 0.28 0.20 -0.01 0.00 0.00 175.02 175.46 2x05 s GLY 200 N 0.23 1.13 0.00 -0.03 0.00 -1.26 -4.57 107.32 102.82 2x05 s GLY 200 Ca -0.01 -1.39 0.12 0.00 0.00 0.00 0.00 44.72 43.43 2x05 s GLY 200 CO -0.01 -1.09 1.28 0.79 0.00 0.00 0.00 173.10 174.08 2x05 n TRP 201 N -0.34 0.51 0.00 1.90 7.02 -1.26 -4.96 117.44 120.31 2x05 n TRP 201 Ca 0.01 -0.50 0.00 0.00 -1.02 0.00 0.00 57.50 55.99 2x05 n TRP 201 Cb 0.64 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 2x05 n TRP 201 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2x05 n ILE 202 N 0.63 0.00 -1.73 -0.99 5.41 -1.26 -0.88 119.36 120.54 2x05 n ILE 202 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.94 2x05 n ILE 202 Cb 0.45 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.49 2x05 n ILE 202 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2x05 n ASP 203 N 5.96 1.45 0.05 4.38 5.68 -1.26 -4.85 116.55 127.96 2x05 n ASP 203 Ca 0.00 -2.99 -0.16 0.00 -0.50 0.00 0.00 54.79 51.14 2x05 n ASP 203 Cb 0.00 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 39.51 2x05 n ASP 203 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 2x05 h TRP 204 N 0.60 0.81 0.00 2.11 6.55 -1.38 -3.43 115.95 121.21 2x05 h TRP 204 Ca -0.05 -0.42 0.00 0.00 0.95 0.00 0.00 58.89 59.36 2x05 h TRP 204 Cb 1.26 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 29.47 2x05 h TRP 204 CO 0.34 1.25 0.00 0.00 -1.05 0.00 0.00 178.44 178.98 2x05 n ALA 205 N -2.58 0.00 -2.44 1.49 0.00 -1.26 -4.78 120.51 110.93 2x05 n ALA 205 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 2x05 n ALA 205 Cb 0.84 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.18 2x05 n ALA 205 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2x05 s GLN 206 N 4.36 1.27 -0.00 0.00 -1.52 -1.26 -1.85 119.66 120.65 2x05 s GLN 206 Ca 0.00 -1.43 -0.30 0.00 -1.95 0.00 0.00 55.36 51.68 2x05 s GLN 206 Cb 0.00 -1.27 -0.07 0.00 -0.22 0.00 0.00 33.01 31.45 2x05 s GLN 206 CO 0.00 0.25 1.71 0.99 -0.25 0.00 0.00 175.29 177.99 2x05 s THR 207 N -2.19 3.34 0.25 -0.19 2.01 -1.26 -4.97 115.64 112.62 2x05 s THR 207 Ca 0.16 0.53 -0.31 0.00 0.31 0.00 0.00 61.69 62.38 2x05 s THR 207 Cb -0.05 -3.34 -0.13 0.00 0.01 0.00 0.00 72.50 68.99 2x05 s THR 207 CO 0.06 -0.03 1.39 -0.81 -0.69 0.00 0.00 174.62 174.54 2x05 n PRO 208 N 6.76 2.00 -0.14 4.92 -0.04 -1.26 -4.88 135.00 142.36 2x05 n PRO 208 Ca 0.17 0.71 0.15 0.00 -0.04 0.00 0.00 63.50 64.49 2x05 n PRO 208 Cb 0.42 -2.35 0.51 0.00 -0.04 0.00 0.00 33.50 32.03 2x05 n PRO 208 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2x05 h PRO 209 N 4.04 0.39 -0.24 0.54 0.11 -1.93 -0.02 132.00 134.89 2x05 h PRO 209 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2x05 h PRO 209 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2x05 h PRO 209 CO 0.74 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 2x05 n ASP 210 N -4.47 2.42 -2.77 -2.05 5.75 -1.26 -4.75 116.55 109.42 2x05 n ASP 210 Ca 0.13 -1.83 -0.14 0.00 -0.01 0.00 0.00 54.79 52.94 2x05 n ASP 210 Cb 0.50 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.43 2x05 n ASP 210 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x05 n GLN 211 N 0.83 -2.69 -1.46 0.11 6.02 -0.02 -2.00 117.38 118.16 2x05 n GLN 211 Ca 0.17 0.42 -0.12 0.00 -0.01 0.00 0.00 57.00 57.46 2x05 n GLN 211 Cb 0.45 -5.03 -0.05 0.00 1.02 0.00 0.00 30.24 26.63 2x05 n GLN 211 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2x05 n ASN 212 N -1.89 -4.40 -4.76 1.08 3.02 -1.26 -4.65 115.26 102.40 2x05 n ASN 212 Ca -0.07 0.26 -0.39 0.00 -0.03 0.00 0.00 54.58 54.36 2x05 n ASN 212 Cb 0.56 -3.05 0.03 0.00 -0.61 0.00 0.00 39.78 36.71 2x05 n ASN 212 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x05 s MET 213 N -3.23 3.34 0.00 3.52 0.23 -0.85 -4.71 119.30 117.61 2x05 s MET 213 Ca 0.00 2.21 0.00 0.00 -1.03 0.00 0.00 55.69 56.87 2x05 s MET 213 Cb 0.00 -2.37 0.00 0.00 -1.53 0.00 0.00 34.83 30.93 2x05 s MET 213 CO 0.00 -1.02 0.00 0.41 -2.03 0.00 0.00 175.02 172.38 2x05 n GLY 214 N 0.66 0.89 3.21 3.16 0.00 -0.64 -0.43 105.19 112.05 2x05 n GLY 214 Ca 0.09 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 2x05 n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x05 s ILE 215 N -1.78 3.92 -2.56 -0.61 1.01 -1.15 -1.37 121.20 118.65 2x05 s ILE 215 Ca 0.00 -1.65 0.25 0.00 0.00 0.00 0.00 60.65 59.25 2x05 s ILE 215 Cb 0.00 -3.50 0.43 0.00 0.01 0.00 0.00 42.46 39.40 2x05 s ILE 215 CO 0.00 -0.59 1.55 1.33 0.00 0.00 0.00 174.94 177.23 2x05 n VAL 216 N 4.82 0.11 -4.48 2.92 0.24 0.26 -2.39 118.33 119.80 2x05 n VAL 216 Ca -0.08 -0.39 -0.24 0.00 -2.04 0.00 0.00 64.34 61.59 2x05 n VAL 216 Cb 0.42 0.76 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 2x05 n VAL 216 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2x05 s ARG 217 N -1.89 1.82 0.50 7.34 0.52 -1.26 -4.65 118.95 121.33 2x05 s ARG 217 Ca 0.34 -2.08 -0.21 0.00 -0.52 0.00 0.00 55.73 53.26 2x05 s ARG 217 Cb 0.20 -0.64 -0.07 0.00 0.52 0.00 0.00 34.95 34.97 2x05 s ARG 217 CO 0.31 -0.40 1.11 -0.51 0.02 0.00 0.00 175.30 175.83 2x05 s ASP 218 N -3.55 6.04 -0.26 0.23 1.01 -1.26 -4.27 116.67 114.60 2x05 s ASP 218 Ca 0.28 2.13 -0.09 0.00 0.71 0.00 0.00 52.55 55.57 2x05 s ASP 218 Cb 0.04 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2x05 s ASP 218 CO 0.15 -0.99 0.13 -0.69 0.21 0.00 0.00 175.17 173.98 2x05 s VAL 219 N -1.77 4.85 -0.17 -1.27 1.01 -1.26 -4.14 120.40 117.65 2x05 s VAL 219 Ca 0.69 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.50 2x05 s VAL 219 Cb -0.23 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2x05 s VAL 219 CO 0.27 0.30 0.49 -0.76 0.00 0.00 0.00 175.10 175.39 2x05 s LEU 220 N 1.66 4.19 -0.26 3.92 1.43 0.27 -0.76 118.68 129.14 2x05 s LEU 220 Ca 0.07 0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 53.62 2x05 s LEU 220 Cb -0.15 -2.67 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 2x05 s LEU 220 CO 0.07 -0.10 0.83 -0.69 0.23 0.00 0.00 176.35 176.69 2x05 s VAL 221 N 1.24 4.81 0.03 -1.59 1.01 0.44 -0.90 120.40 125.44 2x05 s VAL 221 Ca 0.24 1.48 0.03 0.00 0.00 0.00 0.00 61.98 63.73 2x05 s VAL 221 Cb -0.15 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2x05 s VAL 221 CO 0.09 -0.13 -0.01 -0.13 0.00 0.00 0.00 175.10 174.92 2x05 s ARG 222 N 2.90 2.67 -0.02 2.72 0.52 0.20 -0.50 118.95 127.44 2x05 s ARG 222 Ca 0.35 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.87 2x05 s ARG 222 Cb -0.15 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.73 2x05 s ARG 222 CO 0.09 0.59 -0.04 1.03 0.02 0.00 0.00 175.30 177.00 2x05 s ARG 223 N -1.78 0.50 0.30 3.54 1.81 -0.93 -0.70 118.95 121.69 2x05 s ARG 223 Ca 0.21 -0.10 -0.19 0.00 -1.72 0.00 0.00 55.73 53.94 2x05 s ARG 223 Cb -0.11 -0.54 0.06 0.00 -0.45 0.00 0.00 34.95 33.91 2x05 s ARG 223 CO 0.12 -0.00 0.88 -1.54 -0.68 0.00 0.00 175.30 174.08 2x05 s SER 224 N 0.43 -0.02 0.00 0.23 1.04 -1.04 -1.63 113.70 112.72 2x05 s SER 224 Ca -0.05 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2x05 s SER 224 Cb -0.08 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2x05 s SER 224 CO -0.00 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.43 2x05 n GLY 225 N -0.58 1.09 0.18 7.32 0.00 -0.24 -0.59 105.19 112.37 2x05 n GLY 225 Ca -0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2x05 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 h ALA 226 N -1.76 1.20 -3.35 4.61 0.00 -1.93 -3.39 119.26 114.64 2x05 h ALA 226 Ca 0.00 -0.41 -0.65 0.00 0.00 0.00 0.00 54.91 53.85 2x05 h ALA 226 Cb 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 17.50 2x05 h ALA 226 CO 0.00 0.58 -0.68 0.08 0.00 0.00 0.00 179.25 179.23 2x05 s VAL 227 N -4.04 3.80 -0.11 0.00 1.01 -1.26 -1.09 120.40 118.71 2x05 s VAL 227 Ca -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2x05 s VAL 227 Cb 0.14 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2x05 s VAL 227 CO 0.75 0.51 0.00 0.00 0.00 0.00 0.00 175.10 176.37 2x05 s ALA 228 N 0.15 3.25 -0.23 5.51 0.00 0.36 -4.10 121.76 126.70 2x05 s ALA 228 Ca -0.02 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 2x05 s ALA 228 Cb -0.14 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2x05 s ALA 228 CO 0.03 0.47 0.08 -1.17 0.00 0.00 0.00 175.76 175.18 2x05 s LEU 229 N -0.51 3.62 0.13 0.00 2.96 -1.26 -0.85 118.68 122.77 2x05 s LEU 229 Ca 0.09 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2x05 s LEU 229 Cb -0.12 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2x05 s LEU 229 CO 0.02 0.02 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.88 2x05 s ARG 230 N 1.29 0.98 -1.44 1.98 1.81 -0.00 -4.89 118.95 118.67 2x05 s ARG 230 Ca 0.05 -1.42 -0.08 0.00 -1.72 0.00 0.00 55.73 52.56 2x05 s ARG 230 Cb -0.15 -0.35 0.05 0.00 -0.45 0.00 0.00 34.95 34.05 2x05 s ARG 230 CO 0.04 -0.02 0.84 0.45 -0.68 0.00 0.00 175.30 175.93 2x05 n SER 231 N -0.14 -3.13 -4.67 0.23 2.88 -1.26 -0.98 113.62 106.54 2x05 n SER 231 Ca -0.10 -0.81 -0.43 0.00 -1.33 0.00 0.00 58.87 56.20 2x05 n SER 231 Cb 0.61 -3.88 -0.02 0.00 -0.75 0.00 0.00 64.21 60.18 2x05 n SER 231 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x05 s ALA 232 N -3.48 3.60 0.28 -1.46 0.00 -1.26 -4.17 121.76 115.27 2x05 s ALA 232 Ca 0.38 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2x05 s ALA 232 Cb -0.19 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2x05 s ALA 232 CO 0.83 -0.95 0.18 -3.38 0.00 0.00 0.00 175.76 172.44 2x05 s HIS 233 N 2.91 1.51 -0.14 0.00 -3.43 -0.58 -5.00 115.29 110.55 2x05 s HIS 233 Ca 0.48 -1.46 -0.01 0.00 -0.80 0.00 0.00 55.06 53.28 2x05 s HIS 233 Cb -0.18 -0.72 0.04 0.00 -1.43 0.00 0.00 32.58 30.28 2x05 s HIS 233 CO 0.12 -0.66 -0.06 0.08 -2.00 0.00 0.00 174.74 172.22 2x05 s VAL 234 N -3.74 1.04 0.01 -5.38 1.01 -1.26 -1.85 120.40 110.24 2x05 s VAL 234 Ca 0.38 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 2x05 s VAL 234 Cb 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2x05 s VAL 234 CO 0.19 0.21 1.00 -0.63 0.00 0.00 0.00 175.10 175.87 2x05 s ILE 235 N 1.68 4.78 -0.04 2.22 1.01 0.72 -4.89 121.20 126.68 2x05 s ILE 235 Ca 0.02 2.01 0.02 0.00 0.00 0.00 0.00 60.65 62.70 2x05 s ILE 235 Cb -0.14 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.05 2x05 s ILE 235 CO -0.08 0.16 -0.07 0.00 0.00 0.00 0.00 174.94 174.95 2x05 s GLN 236 N 0.97 0.96 -0.13 2.79 1.03 -1.26 -0.13 119.66 123.89 2x05 s GLN 236 Ca 0.52 -0.22 -0.02 0.00 0.04 0.00 0.00 55.36 55.68 2x05 s GLN 236 Cb -0.22 -0.90 0.04 0.00 0.03 0.00 0.00 33.01 31.97 2x05 s GLN 236 CO 0.28 0.02 0.02 0.21 -2.54 0.00 0.00 175.29 173.28 2x05 s LYS 237 N 0.54 0.60 -0.04 9.60 2.47 -0.55 -4.92 119.74 127.43 2x05 s LYS 237 Ca -0.08 -0.14 -0.18 0.00 -1.56 0.00 0.00 55.97 54.01 2x05 s LYS 237 Cb -0.12 -1.54 -0.05 0.00 -1.46 0.00 0.00 37.83 34.66 2x05 s LYS 237 CO 0.01 -0.48 0.49 -1.17 0.16 0.00 0.00 175.35 174.36 2x05 s LEU 238 N 1.93 4.39 0.96 5.43 2.96 -1.26 -1.79 118.68 131.30 2x05 s LEU 238 Ca 0.02 0.97 -0.12 0.00 -0.22 0.00 0.00 54.13 54.79 2x05 s LEU 238 Cb -0.15 -2.73 0.17 0.00 0.50 0.00 0.00 46.19 43.98 2x05 s LEU 238 CO -0.07 0.14 1.09 0.54 -1.32 0.00 0.00 176.35 176.73 2x05 s ASN 239 N -0.21 2.84 0.51 3.68 4.22 -0.52 -4.91 114.94 120.55 2x05 s ASN 239 Ca 0.27 1.55 0.24 0.00 -2.14 0.00 0.00 52.86 52.78 2x05 s ASN 239 Cb -0.17 -2.22 1.36 0.00 1.28 0.00 0.00 41.25 41.50 2x05 s ASN 239 CO 0.13 -3.05 2.06 0.77 -2.04 0.00 0.00 177.10 174.98 2x05 h SER 240 N -1.83 0.00 1.03 3.54 4.64 -1.98 -2.18 113.55 116.77 2x05 h SER 240 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2x05 h SER 240 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2x05 h SER 240 CO 0.52 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 2x05 n ALA 241 N -2.34 2.04 -1.27 5.18 0.00 -1.26 -4.91 120.51 117.95 2x05 n ALA 241 Ca -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 2x05 n ALA 241 Cb 0.23 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 2x05 n ALA 241 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2x05 n LEU 242 N -1.96 -0.61 -0.56 0.00 4.77 -0.82 -4.91 117.00 112.90 2x05 n LEU 242 Ca 0.05 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.31 2x05 n LEU 242 Cb 0.32 -1.65 0.14 0.00 -2.33 0.00 0.00 43.42 39.90 2x05 n LEU 242 CO 0.24 -0.54 0.62 -0.90 -1.33 0.00 0.00 177.39 175.48 2x05 n ASP 243 N 0.23 2.89 -3.65 -1.43 5.75 -1.26 -4.57 116.55 114.51 2x05 n ASP 243 Ca -0.09 -2.15 -0.12 0.00 -0.01 0.00 0.00 54.79 52.41 2x05 n ASP 243 Cb 0.33 -0.24 -0.08 0.00 -1.03 0.00 0.00 41.12 40.11 2x05 n ASP 243 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2x05 s HIS 244 N -1.27 -0.81 0.05 2.11 5.04 -1.26 -0.92 115.29 118.23 2x05 s HIS 244 Ca 0.22 1.86 0.04 0.00 -1.54 0.00 0.00 55.06 55.64 2x05 s HIS 244 Cb 0.13 0.35 -0.03 0.00 0.04 0.00 0.00 32.58 33.08 2x05 s HIS 244 CO 0.12 -0.40 -0.11 0.00 -2.34 0.00 0.00 174.74 172.02 2x05 s ALA 245 N 0.72 0.87 -0.15 1.58 0.00 0.07 -1.44 121.76 123.42 2x05 s ALA 245 Ca -0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2x05 s ALA 245 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2x05 s ALA 245 CO -0.05 0.08 -0.12 -0.51 0.00 0.00 0.00 175.76 175.16 2x05 s ASP 246 N -1.55 3.99 -0.17 0.00 1.01 -0.74 -0.24 116.67 118.97 2x05 s ASP 246 Ca -0.05 -0.36 -0.03 0.00 0.71 0.00 0.00 52.55 52.82 2x05 s ASP 246 Cb -0.09 -1.62 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 2x05 s ASP 246 CO 0.01 0.12 -0.06 -0.76 0.21 0.00 0.00 175.17 174.70 2x05 s LEU 247 N 0.60 3.01 -0.32 1.23 1.43 0.54 -1.48 118.68 123.69 2x05 s LEU 247 Ca -0.07 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2x05 s LEU 247 Cb -0.15 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.39 2x05 s LEU 247 CO 0.03 0.10 0.03 -0.89 0.23 0.00 0.00 176.35 175.85 2x05 s THR 248 N 0.78 2.99 -0.04 5.49 2.01 0.82 -1.14 115.64 126.54 2x05 s THR 248 Ca -0.02 -1.52 -0.24 0.00 0.31 0.00 0.00 61.69 60.21 2x05 s THR 248 Cb -0.15 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2x05 s THR 248 CO 0.02 -0.21 0.74 -0.69 -0.69 0.00 0.00 174.62 173.78 2x05 s VAL 249 N 1.22 4.98 0.05 3.82 1.01 -1.26 -0.20 120.40 130.02 2x05 s VAL 249 Ca -0.03 1.53 0.08 0.00 0.00 0.00 0.00 61.98 63.57 2x05 s VAL 249 Cb -0.20 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2x05 s VAL 249 CO -0.02 0.26 -0.23 -0.54 0.00 0.00 0.00 175.10 174.57 2x05 s LYS 250 N 0.66 1.51 -0.23 2.72 1.02 -0.77 -1.06 119.74 123.59 2x05 s LYS 250 Ca 0.39 -1.05 -0.23 0.00 0.02 0.00 0.00 55.97 55.10 2x05 s LYS 250 Cb -0.18 -1.69 0.06 0.00 -0.52 0.00 0.00 37.83 35.50 2x05 s LYS 250 CO 0.20 0.43 0.64 0.00 -0.92 0.00 0.00 175.35 175.70 2x05 s ALA 251 N -0.85 -1.59 -0.02 5.17 0.00 -0.36 -1.53 121.76 122.58 2x05 s ALA 251 Ca 0.09 1.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.64 2x05 s ALA 251 Cb -0.09 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 2x05 s ALA 251 CO 0.02 -0.31 0.49 -0.51 0.00 0.00 0.00 175.76 175.46 2x05 s ASP 252 N 0.21 6.85 -0.09 0.00 1.01 -0.15 0.02 116.67 124.52 2x05 s ASP 252 Ca -0.01 1.01 0.03 0.00 0.71 0.00 0.00 52.55 54.29 2x05 s ASP 252 Cb -0.04 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 2x05 s ASP 252 CO 0.02 0.18 -0.18 0.68 0.21 0.00 0.00 175.17 176.08 2x05 s VAL 253 N -0.43 2.66 -0.17 -1.27 -7.23 -0.17 -0.82 120.40 112.97 2x05 s VAL 253 Ca 0.27 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2x05 s VAL 253 Cb -0.17 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.74 2x05 s VAL 253 CO 0.14 0.56 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.72 2x05 s ARG 254 N -0.01 2.67 -0.46 4.82 3.52 -0.03 -0.37 118.95 129.08 2x05 s ARG 254 Ca -0.05 -0.72 -0.22 0.00 -0.13 0.00 0.00 55.73 54.60 2x05 s ARG 254 Cb -0.15 -2.38 0.03 0.00 -1.56 0.00 0.00 34.95 30.90 2x05 s ARG 254 CO 0.05 -0.23 0.76 1.21 -0.81 0.00 0.00 175.30 176.28 2x05 s ASN 255 N 1.37 6.37 0.00 -2.12 2.47 0.20 -0.49 114.94 122.74 2x05 s ASN 255 Ca 0.05 -0.24 0.18 0.00 0.42 0.00 0.00 52.86 53.27 2x05 s ASN 255 Cb -0.13 -2.37 0.37 0.00 -1.45 0.00 0.00 41.25 37.67 2x05 s ASN 255 CO -0.12 -0.92 1.30 0.47 -3.72 0.00 0.00 177.10 174.10 2x05 n ASP 256 N 6.67 3.16 -4.70 -4.21 8.00 -0.25 -0.31 116.55 124.91 2x05 n ASP 256 Ca 0.01 -1.91 -0.29 0.00 0.71 0.00 0.00 54.79 53.30 2x05 n ASP 256 Cb 0.48 -0.24 0.12 0.00 -0.02 0.00 0.00 41.12 41.46 2x05 n ASP 256 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2x05 s SER 257 N -1.21 4.13 0.21 -2.24 1.04 -1.21 -4.79 113.70 109.63 2x05 s SER 257 Ca 0.32 0.65 0.26 0.00 0.48 0.00 0.00 55.95 57.66 2x05 s SER 257 Cb 0.18 -1.03 0.85 0.00 0.10 0.00 0.00 66.02 66.12 2x05 s SER 257 CO 0.25 -2.13 1.77 0.00 0.98 0.00 0.00 173.24 174.11 2x05 n ALA 258 N -3.44 2.20 -2.59 5.32 0.00 -1.26 -3.65 120.51 117.09 2x05 n ALA 258 Ca 0.10 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.31 2x05 n ALA 258 Cb 0.61 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 2x05 n ALA 258 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2x05 s ASN 259 N -4.45 2.04 0.32 0.00 -0.87 -1.26 -4.74 114.94 105.98 2x05 s ASN 259 Ca 0.10 -0.53 -0.27 0.00 -1.57 0.00 0.00 52.86 50.59 2x05 s ASN 259 Cb 0.12 -0.13 -0.14 0.00 -0.02 0.00 0.00 41.25 41.08 2x05 s ASN 259 CO 0.57 0.06 0.94 0.00 -2.57 0.00 0.00 177.10 176.10 2x05 n ALA 260 N 1.69 -0.43 -2.17 0.60 0.00 -1.26 -4.39 120.51 114.54 2x05 n ALA 260 Ca -0.18 0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 2x05 n ALA 260 Cb 0.54 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.91 2x05 n ALA 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2x05 s VAL 261 N -1.13 0.38 -0.19 0.00 -7.23 -0.29 -4.95 120.40 106.98 2x05 s VAL 261 Ca 0.60 -1.80 -0.06 0.00 -1.81 0.00 0.00 61.98 58.91 2x05 s VAL 261 Cb -0.68 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 2x05 s VAL 261 CO 0.59 -0.92 0.03 -1.10 -0.31 0.00 0.00 175.10 173.39 2x05 s GLN 262 N -3.73 3.79 -0.03 4.82 -0.21 -1.26 -1.34 119.66 121.70 2x05 s GLN 262 Ca 0.07 -0.44 0.07 0.00 0.02 0.00 0.00 55.36 55.08 2x05 s GLN 262 Cb 0.06 -3.15 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 2x05 s GLN 262 CO -0.08 0.13 -0.23 -0.08 -2.12 0.00 0.00 175.29 172.91 2x05 s THR 263 N 0.73 2.28 -0.24 -0.19 -1.32 0.12 -4.34 115.64 112.68 2x05 s THR 263 Ca 0.02 -1.02 -0.07 0.00 -1.21 0.00 0.00 61.69 59.40 2x05 s THR 263 Cb -0.14 -1.81 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 2x05 s THR 263 CO 0.02 0.58 0.07 -0.89 -2.21 0.00 0.00 174.62 172.19 2x05 s THR 264 N -0.59 4.42 -0.34 5.08 2.01 -0.94 -0.54 115.64 124.74 2x05 s THR 264 Ca 0.09 -0.14 -0.09 0.00 0.31 0.00 0.00 61.69 61.85 2x05 s THR 264 Cb -0.10 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.37 2x05 s THR 264 CO -0.00 0.36 0.16 -0.69 -0.69 0.00 0.00 174.62 173.75 2x05 s VAL 265 N 1.40 4.41 0.05 3.82 1.01 0.12 -0.21 120.40 131.00 2x05 s VAL 265 Ca 0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2x05 s VAL 265 Cb -0.15 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2x05 s VAL 265 CO 0.04 -0.09 0.22 0.00 0.00 0.00 0.00 175.10 175.27 2x05 s ALA 266 N 1.55 -0.41 0.00 5.51 0.00 -0.55 -0.93 121.76 126.93 2x05 s ALA 266 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2x05 s ALA 266 Cb -0.18 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2x05 s ALA 266 CO 0.05 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2x05 n GLY 267 N 0.46 -0.57 2.95 0.00 0.00 -0.28 -1.26 105.19 106.48 2x05 n GLY 267 Ca -0.18 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 2x05 n GLY 267 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x05 s THR 268 N -3.00 0.30 -0.09 2.61 -4.23 -0.27 -1.14 115.64 109.82 2x05 s THR 268 Ca 0.00 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 2x05 s THR 268 Cb 0.00 -0.29 0.01 0.00 1.34 0.00 0.00 72.50 73.56 2x05 s THR 268 CO 0.00 -0.01 -0.16 0.54 -0.54 0.00 0.00 174.62 174.45 2x05 s VAL 269 N -0.32 1.53 -1.36 2.29 0.11 -0.68 -0.84 120.40 121.13 2x05 s VAL 269 Ca -0.01 -0.69 -0.11 0.00 -2.93 0.00 0.00 61.98 58.24 2x05 s VAL 269 Cb -0.03 -1.37 0.09 0.00 -1.53 0.00 0.00 36.38 33.53 2x05 s VAL 269 CO -0.00 0.44 0.56 0.00 -3.33 0.00 0.00 175.10 172.78 2x05 n ALA 270 N 3.93 -1.10 -0.99 1.54 0.00 -0.54 -0.51 120.51 122.84 2x05 n ALA 270 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2x05 n ALA 270 Cb 0.52 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.99 2x05 n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x05 n GLY 271 N -1.23 0.48 3.73 0.00 0.00 -1.26 -5.02 105.19 101.88 2x05 n GLY 271 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2x05 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x05 s LYS 272 N -0.29 3.42 0.43 1.61 -0.14 0.33 -5.09 119.74 120.00 2x05 s LYS 272 Ca 0.00 -0.30 -0.23 0.00 -1.36 0.00 0.00 55.97 54.07 2x05 s LYS 272 Cb 0.00 -3.04 -0.08 0.00 -1.68 0.00 0.00 37.83 33.03 2x05 s LYS 272 CO 0.00 0.60 1.08 -1.25 -0.76 0.00 0.00 175.35 175.02 2x05 s PRO 273 N -0.56 4.01 -0.01 -1.68 0.04 -1.26 -1.69 135.00 133.86 2x05 s PRO 273 Ca 0.11 1.56 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 2x05 s PRO 273 Cb -0.12 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2x05 s PRO 273 CO 0.02 -0.28 0.20 0.96 0.04 0.00 0.00 177.00 177.94 2x05 s ILE 274 N -1.66 0.07 -0.27 0.56 -4.36 -0.29 -4.91 121.20 110.33 2x05 s ILE 274 Ca 0.60 -0.57 -0.16 0.00 -0.26 0.00 0.00 60.65 60.27 2x05 s ILE 274 Cb -0.23 -0.48 0.08 0.00 1.25 0.00 0.00 42.46 43.07 2x05 s ILE 274 CO 0.29 -0.31 0.66 -0.55 0.24 0.00 0.00 174.94 175.26 2x05 s SER 275 N -1.25 -0.89 0.01 4.36 0.15 -1.26 -1.13 113.70 113.70 2x05 s SER 275 Ca -0.13 1.44 0.03 0.00 0.70 0.00 0.00 55.95 57.98 2x05 s SER 275 Cb -0.06 1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 65.55 2x05 s SER 275 CO 0.02 -0.23 -0.08 -1.10 1.20 0.00 0.00 173.24 173.05 2x05 s GLN 276 N 1.54 0.61 -0.20 5.44 -1.52 -0.10 -5.00 119.66 120.43 2x05 s GLN 276 Ca -0.09 -0.44 -0.00 0.00 -1.95 0.00 0.00 55.36 52.87 2x05 s GLN 276 Cb -0.05 -0.55 0.01 0.00 -0.22 0.00 0.00 33.01 32.20 2x05 s GLN 276 CO -0.18 0.14 -0.15 0.99 -0.25 0.00 0.00 175.29 175.84 2x05 s THR 277 N -0.55 2.42 0.21 -0.19 2.01 -1.26 0.14 115.64 118.42 2x05 s THR 277 Ca -0.00 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.22 2x05 s THR 277 Cb -0.05 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 2x05 s THR 277 CO 0.00 0.47 -0.15 0.68 -0.69 0.00 0.00 174.62 174.93 2x05 s VAL 278 N 1.33 1.84 0.02 3.82 -7.23 0.30 -4.97 120.40 115.51 2x05 s VAL 278 Ca 0.04 -2.22 -0.12 0.00 -1.81 0.00 0.00 61.98 57.88 2x05 s VAL 278 Cb -0.14 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2x05 s VAL 278 CO -0.10 -0.56 0.37 -0.44 -0.31 0.00 0.00 175.10 174.06 2x05 s SER 279 N -3.30 6.69 -0.09 4.85 0.01 -1.26 0.12 113.70 120.71 2x05 s SER 279 Ca 0.23 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.32 2x05 s SER 279 Cb -0.02 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 64.04 2x05 s SER 279 CO 0.08 0.28 -0.08 -0.76 0.41 0.00 0.00 173.24 173.17 2x05 s LEU 280 N -1.40 1.26 0.88 2.44 1.43 -0.45 -4.96 118.68 117.87 2x05 s LEU 280 Ca 0.26 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 2x05 s LEU 280 Cb -0.15 -0.77 0.12 0.00 0.03 0.00 0.00 46.19 45.42 2x05 s LEU 280 CO 0.14 -0.08 1.14 0.00 0.23 0.00 0.00 176.35 177.78 2x05 s ALA 281 N 1.42 1.65 0.28 4.21 0.00 -1.26 -1.14 121.76 126.91 2x05 s ALA 281 Ca -0.01 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 2x05 s ALA 281 Cb -0.13 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 2x05 s ALA 281 CO -0.04 -2.54 1.50 0.00 0.00 0.00 0.00 175.76 174.67 2x05 n ALA 282 N -4.04 1.92 -0.85 0.00 0.00 -1.26 -0.91 120.51 115.37 2x05 n ALA 282 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2x05 n ALA 282 Cb 0.52 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2x05 n ALA 282 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x05 n LYS 283 N 1.92 -0.43 -2.90 0.00 4.76 0.58 -5.00 118.16 117.09 2x05 n LYS 283 Ca 0.09 0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 55.24 2x05 n LYS 283 Cb 0.35 -3.74 -0.06 0.00 -1.84 0.00 0.00 35.03 29.74 2x05 n LYS 283 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2x05 s GLU 284 N -0.73 4.64 -0.10 1.97 2.12 -0.09 -4.77 118.70 121.74 2x05 s GLU 284 Ca 0.00 1.25 0.02 0.00 0.36 0.00 0.00 54.97 56.61 2x05 s GLU 284 Cb 0.00 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 2x05 s GLU 284 CO 0.00 0.47 -0.19 0.50 -0.54 0.00 0.00 175.26 175.50 2x05 s ARG 285 N -0.83 3.10 0.15 4.30 3.52 -1.26 0.60 118.95 128.54 2x05 s ARG 285 Ca 0.39 -0.79 0.10 0.00 -0.13 0.00 0.00 55.73 55.30 2x05 s ARG 285 Cb -0.23 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 2x05 s ARG 285 CO 0.27 0.25 -0.23 0.15 -0.81 0.00 0.00 175.30 174.93 2x05 s LYS 286 N 0.22 1.36 -0.25 5.12 1.02 0.50 -4.98 119.74 122.72 2x05 s LYS 286 Ca -0.12 -1.38 -0.10 0.00 0.02 0.00 0.00 55.97 54.38 2x05 s LYS 286 Cb -0.16 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 2x05 s LYS 286 CO 0.06 0.37 0.16 0.99 -0.92 0.00 0.00 175.35 176.01 2x05 s THR 287 N -1.50 5.32 -0.34 2.17 2.01 -1.26 -1.00 115.64 121.04 2x05 s THR 287 Ca 0.15 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.18 2x05 s THR 287 Cb -0.08 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 2x05 s THR 287 CO 0.07 0.33 0.27 -0.69 -0.69 0.00 0.00 174.62 173.91 2x05 s VAL 288 N 1.17 5.26 -0.22 3.82 1.01 0.10 -4.93 120.40 126.61 2x05 s VAL 288 Ca 0.07 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2x05 s VAL 288 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2x05 s VAL 288 CO 0.05 -0.01 0.31 -0.89 0.00 0.00 0.00 175.10 174.57 2x05 s THR 289 N 1.79 5.25 0.26 3.92 2.01 -1.26 -1.22 115.64 126.39 2x05 s THR 289 Ca 0.07 0.51 -0.14 0.00 0.31 0.00 0.00 61.69 62.45 2x05 s THR 289 Cb -0.17 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 2x05 s THR 289 CO 0.11 0.27 0.65 -0.36 -0.69 0.00 0.00 174.62 174.60 2x05 s PHE 290 N 1.30 3.46 0.46 4.92 0.08 -0.23 -5.03 117.98 122.95 2x05 s PHE 290 Ca 0.15 1.12 -0.24 0.00 0.12 0.00 0.00 56.93 58.08 2x05 s PHE 290 Cb -0.14 -2.44 -0.09 0.00 -0.57 0.00 0.00 43.02 39.77 2x05 s PHE 290 CO 0.07 0.23 1.18 -2.30 -0.10 0.00 0.00 175.22 174.30 2x05 n PRO 291 N 0.03 1.63 -1.57 0.24 -0.02 -1.26 -4.42 135.00 129.63 2x05 n PRO 291 Ca 0.01 0.59 -0.51 0.00 -2.02 0.00 0.00 63.50 61.56 2x05 n PRO 291 Cb 0.52 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2x05 n PRO 291 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2x05 n LEU 292 N 0.00 1.29 -4.39 2.45 7.94 -1.26 -4.79 117.00 118.24 2x05 n LEU 292 Ca 0.09 1.13 -0.34 0.00 -1.11 0.00 0.00 56.01 55.78 2x05 n LEU 292 Cb 0.41 -1.16 -0.13 0.00 0.53 0.00 0.00 43.42 43.07 2x05 n LEU 292 CO 0.57 -1.33 -0.38 -0.69 -1.11 0.00 0.00 177.39 174.44 2x05 s VAL 293 N 0.09 3.52 0.21 1.96 1.01 -0.29 -4.96 120.40 121.92 2x05 s VAL 293 Ca 0.80 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 2x05 s VAL 293 Cb -0.95 -2.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2x05 s VAL 293 CO 0.51 0.47 0.86 -0.83 0.00 0.00 0.00 175.10 176.10 2x05 s GLY 294 N 0.84 3.01 -0.20 4.51 0.00 -1.26 -0.34 107.32 113.88 2x05 s GLY 294 Ca -0.02 0.49 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 2x05 s GLY 294 CO 0.01 1.02 -0.02 -2.27 0.00 0.00 0.00 173.10 171.85 2x05 s LEU 295 N -1.19 1.75 0.09 0.66 2.96 0.67 -4.96 118.68 118.66 2x05 s LEU 295 Ca 0.39 -0.87 -0.21 0.00 -0.22 0.00 0.00 54.13 53.21 2x05 s LEU 295 Cb -0.24 -0.87 -0.07 0.00 0.50 0.00 0.00 46.19 45.50 2x05 s LEU 295 CO 0.29 -0.24 0.64 -1.81 -1.32 0.00 0.00 176.35 173.91 2x05 s ASP 296 N 1.64 7.16 -1.29 3.68 1.01 -1.26 -0.75 116.67 126.87 2x05 s ASP 296 Ca -0.02 1.38 -0.20 0.00 0.71 0.00 0.00 52.55 54.41 2x05 s ASP 296 Cb -0.17 -2.41 0.02 0.00 1.01 0.00 0.00 42.92 41.37 2x05 s ASP 296 CO -0.07 0.23 0.54 0.54 0.21 0.00 0.00 175.17 176.62 2x05 n ARG 297 N 1.83 -1.05 -1.39 8.23 1.74 -0.10 -4.89 116.66 121.04 2x05 n ARG 297 Ca -0.08 0.21 -0.34 0.00 -0.77 0.00 0.00 57.85 56.87 2x05 n ARG 297 Cb 0.50 -3.39 0.10 0.00 -1.02 0.00 0.00 32.46 28.65 2x05 n ARG 297 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2x05 s PRO 298 N -6.96 2.08 -1.12 5.56 0.04 -1.26 -4.89 135.00 128.44 2x05 s PRO 298 Ca 0.33 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 2x05 s PRO 298 Cb -0.16 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2x05 s PRO 298 CO 0.94 -1.87 1.52 1.21 0.04 0.00 0.00 177.00 178.84 2x05 s ASN 299 N -2.15 6.68 0.25 6.66 3.84 -1.26 -4.96 114.94 124.00 2x05 s ASN 299 Ca 0.73 -1.98 -0.31 0.00 0.21 0.00 0.00 52.86 51.51 2x05 s ASN 299 Cb -0.28 -2.54 -0.12 0.00 -0.55 0.00 0.00 41.25 37.76 2x05 s ASN 299 CO 0.46 -1.29 1.65 -0.69 -2.79 0.00 0.00 177.10 174.44 2x05 s VAL 300 N 4.22 2.07 0.03 -5.21 1.01 -1.26 -4.61 120.40 116.64 2x05 s VAL 300 Ca 0.47 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2x05 s VAL 300 Cb 0.01 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2x05 s VAL 300 CO -0.03 0.01 1.02 0.86 0.00 0.00 0.00 175.10 176.96 2x05 s TRP 301 N 0.52 3.64 0.15 5.22 -0.00 -0.01 -4.59 118.94 123.88 2x05 s TRP 301 Ca 0.68 1.64 0.10 0.00 -0.00 0.00 0.00 56.10 58.52 2x05 s TRP 301 Cb -0.48 -3.17 -0.04 0.00 -0.00 0.00 0.00 33.47 29.78 2x05 s TRP 301 CO 0.41 -0.22 -0.22 -1.58 -0.00 0.00 0.00 176.95 175.34 2x05 s TRP 302 N 0.88 2.02 0.66 5.86 0.52 -0.09 -4.70 118.94 124.09 2x05 s TRP 302 Ca 0.53 -0.41 -0.17 0.00 0.02 0.00 0.00 56.10 56.06 2x05 s TRP 302 Cb -0.23 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 2x05 s TRP 302 CO 0.29 0.35 0.90 -2.30 0.02 0.00 0.00 176.95 176.21 2x05 n PRO 303 N 0.56 0.68 -1.66 4.98 -0.02 -1.26 -4.56 135.00 133.72 2x05 n PRO 303 Ca -0.15 0.28 -0.45 0.00 -2.02 0.00 0.00 63.50 61.16 2x05 n PRO 303 Cb 0.55 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2x05 n PRO 303 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x05 n ALA 304 N -2.08 0.97 -0.04 3.55 0.00 -0.38 -1.31 120.51 121.22 2x05 n ALA 304 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2x05 n ALA 304 Cb 0.48 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2x05 n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x05 n GLY 305 N 2.10 2.01 0.75 0.00 0.00 -1.26 -4.83 105.19 103.96 2x05 n GLY 305 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 2x05 n GLY 305 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2x05 n MET 306 N -2.00 1.62 -2.10 1.61 2.00 -0.42 -4.39 117.12 113.43 2x05 n MET 306 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 57.70 56.05 2x05 n MET 306 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 31.87 2x05 n MET 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2x05 n GLY 307 N 1.03 0.02 3.97 3.03 0.00 -1.25 -4.92 105.19 107.07 2x05 n GLY 307 Ca 0.11 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 2x05 n GLY 307 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x05 s GLY 308 N 0.00 1.76 -0.28 -0.02 0.00 -1.26 -4.78 107.32 102.74 2x05 s GLY 308 Ca 0.00 -1.49 0.08 0.00 0.00 0.00 0.00 44.72 43.32 2x05 s GLY 308 CO 0.00 -0.95 1.19 -1.06 0.00 0.00 0.00 173.10 172.27 2x05 n GLN 309 N -2.91 3.36 -1.92 2.90 3.00 -1.26 -0.91 117.38 119.64 2x05 n GLN 309 Ca 0.13 -4.07 -0.41 0.00 -0.01 0.00 0.00 57.00 52.64 2x05 n GLN 309 Cb 0.60 -2.19 -0.02 0.00 0.00 0.00 0.00 30.24 28.64 2x05 n GLN 309 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2x05 s HIS 310 N -3.58 2.86 -0.00 1.08 2.46 -1.26 -4.69 115.29 112.16 2x05 s HIS 310 Ca 0.49 1.03 0.07 0.00 0.47 0.00 0.00 55.06 57.11 2x05 s HIS 310 Cb 0.40 -3.92 -0.02 0.00 -0.13 0.00 0.00 32.58 28.92 2x05 s HIS 310 CO 0.03 -2.90 -0.21 1.03 -2.47 0.00 0.00 174.74 170.21 2x05 s ARG 311 N -0.92 1.64 0.67 2.88 0.52 -1.26 -4.33 118.95 118.14 2x05 s ARG 311 Ca 0.58 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.94 2x05 s ARG 311 Cb -0.44 -1.63 0.06 0.00 0.52 0.00 0.00 34.95 33.46 2x05 s ARG 311 CO 0.50 0.44 0.95 0.71 0.02 0.00 0.00 175.30 177.92 2x05 s TYR 312 N -0.57 2.81 -0.05 -0.53 2.02 0.11 -4.86 117.35 116.28 2x05 s TYR 312 Ca 0.08 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 57.09 2x05 s TYR 312 Cb -0.08 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.37 2x05 s TYR 312 CO -0.00 -1.30 -0.11 -0.51 -1.57 0.00 0.00 175.55 172.06 2x05 s ASP 313 N -4.51 4.29 -0.15 2.29 1.01 -1.26 -1.54 116.67 116.80 2x05 s ASP 313 Ca 0.60 -0.13 -0.04 0.00 0.71 0.00 0.00 52.55 53.69 2x05 s ASP 313 Cb -0.10 -0.97 -0.03 0.00 1.01 0.00 0.00 42.92 42.82 2x05 s ASP 313 CO 0.43 0.35 -0.02 -0.22 0.21 0.00 0.00 175.17 175.91 2x05 s LEU 314 N -0.83 3.36 -0.19 1.23 2.96 0.17 -1.47 118.68 123.91 2x05 s LEU 314 Ca 0.12 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2x05 s LEU 314 Cb -0.11 -1.81 0.06 0.00 0.50 0.00 0.00 46.19 44.84 2x05 s LEU 314 CO 0.01 0.20 0.05 -0.62 -1.32 0.00 0.00 176.35 174.68 2x05 s ASP 315 N 0.17 2.72 -0.01 3.68 -1.08 -0.02 -1.02 116.67 121.11 2x05 s ASP 315 Ca -0.01 -0.75 0.06 0.00 -0.52 0.00 0.00 52.55 51.34 2x05 s ASP 315 Cb -0.13 -0.49 -0.02 0.00 -1.46 0.00 0.00 42.92 40.82 2x05 s ASP 315 CO 0.02 -0.32 -0.20 -0.76 0.52 0.00 0.00 175.17 174.44 2x05 s LEU 316 N 1.95 2.05 -0.09 -1.34 1.43 -0.43 -1.11 118.68 121.14 2x05 s LEU 316 Ca 0.00 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2x05 s LEU 316 Cb -0.17 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.06 2x05 s LEU 316 CO -0.08 0.23 -0.18 -0.89 0.23 0.00 0.00 176.35 175.66 2x05 s THR 317 N -0.50 1.59 -0.22 5.49 2.01 -0.39 -1.00 115.64 122.62 2x05 s THR 317 Ca 0.07 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 2x05 s THR 317 Cb -0.08 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 2x05 s THR 317 CO -0.00 0.46 0.46 0.00 -0.69 0.00 0.00 174.62 174.84 2x05 s ALA 318 N 0.56 3.56 0.18 7.40 0.00 0.41 -1.49 121.76 132.38 2x05 s ALA 318 Ca -0.15 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.37 2x05 s ALA 318 Cb -0.17 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2x05 s ALA 318 CO 0.05 -0.46 -0.06 -1.12 0.00 0.00 0.00 175.76 174.18 2x05 s SER 319 N 1.22 4.47 -0.07 0.00 0.01 0.70 0.54 113.70 120.58 2x05 s SER 319 Ca 0.21 -0.50 -0.03 0.00 1.31 0.00 0.00 55.95 56.94 2x05 s SER 319 Cb -0.15 -0.85 0.04 0.00 0.21 0.00 0.00 66.02 65.27 2x05 s SER 319 CO 0.09 0.10 0.12 -0.69 0.41 0.00 0.00 173.24 173.27 2x05 s VAL 320 N -1.70 -0.19 -0.91 3.43 1.01 0.20 -2.22 120.40 120.02 2x05 s VAL 320 Ca 0.26 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 2x05 s VAL 320 Cb -0.09 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.06 2x05 s VAL 320 CO 0.17 0.15 0.80 0.61 0.00 0.00 0.00 175.10 176.83 2x05 n GLY 321 N 5.23 -0.06 2.73 4.51 0.00 -1.26 -2.19 105.19 114.15 2x05 n GLY 321 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2x05 n GLY 321 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x05 n GLY 322 N -1.50 0.36 3.27 -0.02 0.00 -1.26 -5.01 105.19 101.02 2x05 n GLY 322 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2x05 n GLY 322 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x05 s THR 323 N -1.87 1.82 0.29 2.61 2.01 -0.93 -5.11 115.64 114.46 2x05 s THR 323 Ca 0.00 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 2x05 s THR 323 Cb 0.00 -1.54 -0.11 0.00 0.01 0.00 0.00 72.50 70.86 2x05 s THR 323 CO 0.00 0.38 1.50 -2.84 -0.69 0.00 0.00 174.62 172.97 2x05 s PRO 324 N -0.88 4.20 -0.17 4.92 0.02 -1.26 0.63 135.00 142.46 2x05 s PRO 324 Ca 0.09 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 63.51 2x05 s PRO 324 Cb -0.09 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.29 2x05 s PRO 324 CO 0.01 -0.50 -0.18 0.45 -0.33 0.00 0.00 177.00 176.44 2x05 n SER 325 N 1.93 1.95 -3.80 2.53 2.88 0.19 -4.73 113.62 114.57 2x05 n SER 325 Ca 0.06 0.07 -0.10 0.00 -1.33 0.00 0.00 58.87 57.57 2x05 n SER 325 Cb 0.39 -0.39 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 2x05 n SER 325 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2x05 s ASP 326 N -6.07 -0.09 -0.01 -3.46 2.15 -0.82 -1.08 116.67 107.29 2x05 s ASP 326 Ca -0.23 -0.58 -0.20 0.00 0.43 0.00 0.00 52.55 51.96 2x05 s ASP 326 Cb 0.07 0.46 0.04 0.00 -0.30 0.00 0.00 42.92 43.20 2x05 s ASP 326 CO 0.33 -0.89 0.44 0.00 -0.17 0.00 0.00 175.17 174.89 2x05 s ALA 327 N -3.88 -1.13 -0.09 3.66 0.00 -1.26 -0.45 121.76 118.60 2x05 s ALA 327 Ca 0.09 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.63 2x05 s ALA 327 Cb 0.02 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.28 2x05 s ALA 327 CO -0.06 -0.33 0.23 0.00 0.00 0.00 0.00 175.76 175.60 2x05 s ALA 328 N -1.49 -0.53 -0.07 0.00 0.00 -0.17 -4.75 121.76 114.75 2x05 s ALA 328 Ca -0.11 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2x05 s ALA 328 Cb -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2x05 s ALA 328 CO 0.05 -0.16 -0.13 0.15 0.00 0.00 0.00 175.76 175.67 2x05 s LYS 329 N 0.86 2.73 0.29 0.00 1.02 -1.26 -1.32 119.74 122.07 2x05 s LYS 329 Ca -0.06 -0.67 -0.10 0.00 0.02 0.00 0.00 55.97 55.15 2x05 s LYS 329 Cb -0.07 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 2x05 s LYS 329 CO -0.05 0.54 0.52 -1.54 -0.92 0.00 0.00 175.35 173.89 2x05 s SER 330 N -0.50 0.21 0.23 2.83 1.04 -0.19 -5.02 113.70 112.31 2x05 s SER 330 Ca 0.07 -1.12 0.09 0.00 0.48 0.00 0.00 55.95 55.47 2x05 s SER 330 Cb -0.12 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 2x05 s SER 330 CO 0.02 -1.26 -0.15 -0.54 0.98 0.00 0.00 173.24 172.28 2x05 s LYS 331 N -3.51 1.45 0.13 4.02 1.02 -1.26 -0.66 119.74 120.92 2x05 s LYS 331 Ca 0.24 -1.66 -0.12 0.00 0.02 0.00 0.00 55.97 54.45 2x05 s LYS 331 Cb -0.01 -1.31 0.01 0.00 -0.52 0.00 0.00 37.83 36.00 2x05 s LYS 331 CO 0.13 0.21 0.31 -0.59 -0.92 0.00 0.00 175.35 174.49 2x05 s PHE 332 N -2.84 0.07 0.05 3.18 -0.12 -0.59 -4.78 117.98 112.95 2x05 s PHE 332 Ca 0.25 -0.45 0.09 0.00 -0.05 0.00 0.00 56.93 56.78 2x05 s PHE 332 Cb -0.02 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 2x05 s PHE 332 CO 0.10 -0.67 -0.26 0.20 -0.05 0.00 0.00 175.22 174.54 2x05 s GLY 333 N -2.87 1.38 -0.41 1.99 0.00 -1.24 0.06 107.32 106.23 2x05 s GLY 333 Ca 0.07 -1.26 -0.19 0.00 0.00 0.00 0.00 44.72 43.35 2x05 s GLY 333 CO -0.08 -1.16 0.53 0.14 0.00 0.00 0.00 173.10 172.53 2x05 s VAL 334 N -0.83 4.98 -0.20 1.40 1.01 -1.26 -4.83 120.40 120.66 2x05 s VAL 334 Ca 0.11 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 2x05 s VAL 334 Cb -0.10 -4.08 0.13 0.00 0.00 0.00 0.00 36.38 32.33 2x05 s VAL 334 CO 0.02 -0.44 1.01 -0.60 0.00 0.00 0.00 175.10 175.10 2x05 s ARG 335 N 2.44 0.56 -0.07 2.72 3.52 -1.26 -0.83 118.95 126.02 2x05 s ARG 335 Ca 0.17 0.31 0.03 0.00 -0.13 0.00 0.00 55.73 56.11 2x05 s ARG 335 Cb -0.16 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.48 2x05 s ARG 335 CO 0.16 -0.14 -0.16 0.34 -0.81 0.00 0.00 175.30 174.69 2x05 s ASP 336 N -0.61 3.88 0.02 -2.12 -1.08 -1.26 -4.84 116.67 110.66 2x05 s ASP 336 Ca 0.00 -0.28 0.04 0.00 -0.52 0.00 0.00 52.55 51.79 2x05 s ASP 336 Cb -0.02 -1.04 -0.02 0.00 -1.46 0.00 0.00 42.92 40.38 2x05 s ASP 336 CO -0.01 0.28 -0.11 0.54 0.52 0.00 0.00 175.17 176.39 2x05 s VAL 337 N -0.36 0.86 0.04 1.11 0.11 -1.26 0.99 120.40 121.89 2x05 s VAL 337 Ca 0.03 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2x05 s VAL 337 Cb -0.12 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2x05 s VAL 337 CO 0.02 0.02 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.23 2x05 s LYS 338 N -0.84 0.46 -0.32 1.54 1.02 -0.51 -4.75 119.74 116.33 2x05 s LYS 338 Ca 0.01 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.23 2x05 s LYS 338 Cb -0.06 -0.04 0.15 0.00 -0.52 0.00 0.00 37.83 37.35 2x05 s LYS 338 CO 0.00 -0.02 0.35 0.00 -0.92 0.00 0.00 175.35 174.77 2x05 s ALA 339 N -1.87 -0.63 0.28 5.17 0.00 -1.25 -0.58 121.76 122.89 2x05 s ALA 339 Ca -0.09 -0.46 0.12 0.00 0.00 0.00 0.00 51.96 51.52 2x05 s ALA 339 Cb -0.07 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 2x05 s ALA 339 CO -0.02 -1.89 -0.19 0.95 0.00 0.00 0.00 175.76 174.61 2x05 s THR 340 N 2.03 2.48 -0.00 0.00 -4.23 -0.48 -4.82 115.64 110.62 2x05 s THR 340 Ca 0.12 -2.38 -0.30 0.00 -1.18 0.00 0.00 61.69 57.95 2x05 s THR 340 Cb -0.14 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2x05 s THR 340 CO -0.21 -0.38 1.18 -0.76 -0.54 0.00 0.00 174.62 173.91 2x05 s LEU 341 N -3.52 4.32 0.00 4.79 2.01 -1.26 0.23 118.68 125.25 2x05 s LEU 341 Ca 0.30 1.88 -0.13 0.00 0.01 0.00 0.00 54.13 56.19 2x05 s LEU 341 Cb -0.04 -3.57 0.19 0.00 0.01 0.00 0.00 46.19 42.78 2x05 s LEU 341 CO 0.15 -0.51 0.94 -0.46 1.01 0.00 0.00 176.35 177.47 2x05 n ASN 342 N 4.60 -0.52 0.20 2.29 0.23 0.13 -4.88 115.26 117.31 2x05 n ASN 342 Ca 0.10 -1.24 0.14 0.00 -0.53 0.00 0.00 54.58 53.05 2x05 n ASN 342 Cb 0.47 -0.76 0.62 0.00 -2.08 0.00 0.00 39.78 38.03 2x05 n ASN 342 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2x05 h SER 343 N -1.62 0.00 -0.24 0.53 4.64 -1.97 -0.82 113.55 114.08 2x05 h SER 343 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2x05 h SER 343 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2x05 h SER 343 CO 0.22 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.98 2x05 n SER 344 N -2.59 2.24 -0.10 4.97 7.64 -1.26 -4.92 113.62 119.60 2x05 n SER 344 Ca 0.01 -1.81 -0.01 0.00 1.01 0.00 0.00 58.87 58.06 2x05 n SER 344 Cb 0.23 -0.15 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2x05 n SER 344 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x05 n GLY 345 N 1.24 0.51 3.81 0.23 0.00 -0.31 -4.90 105.19 105.77 2x05 n GLY 345 Ca 0.17 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 2x05 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x05 s GLY 346 N -2.53 2.56 -0.30 -0.02 0.00 -1.26 -4.24 107.32 101.53 2x05 s GLY 346 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 2x05 s GLY 346 CO 0.00 0.38 1.18 -1.60 0.00 0.00 0.00 173.10 173.06 2x05 s ARG 347 N -0.86 4.01 -0.22 2.90 6.06 0.23 0.21 118.95 131.28 2x05 s ARG 347 Ca 0.27 1.17 -0.03 0.00 -2.50 0.00 0.00 55.73 54.64 2x05 s ARG 347 Cb -0.18 -3.80 0.00 0.00 0.06 0.00 0.00 34.95 31.04 2x05 s ARG 347 CO 0.16 -0.98 -0.07 -1.14 -2.50 0.00 0.00 175.30 170.76 2x05 s GLN 348 N 3.86 3.24 0.23 5.12 2.00 0.14 -4.73 119.66 129.52 2x05 s GLN 348 Ca 0.50 -0.71 -0.13 0.00 -2.00 0.00 0.00 55.36 53.03 2x05 s GLN 348 Cb -0.14 -2.94 -0.08 0.00 0.80 0.00 0.00 33.01 30.65 2x05 s GLN 348 CO 0.19 -0.23 0.61 0.71 -0.50 0.00 0.00 175.29 176.07 2x05 s TYR 349 N 1.43 3.47 -0.02 1.67 2.02 -1.26 -1.39 117.35 123.28 2x05 s TYR 349 Ca 0.05 1.05 -0.05 0.00 -0.37 0.00 0.00 57.07 57.74 2x05 s TYR 349 Cb -0.14 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.04 2x05 s TYR 349 CO -0.05 0.27 0.12 -1.54 -1.57 0.00 0.00 175.55 172.78 2x05 s SER 350 N -2.12 -0.03 -0.07 2.29 1.04 0.25 -1.71 113.70 113.35 2x05 s SER 350 Ca 0.46 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.92 2x05 s SER 350 Cb -0.12 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2x05 s SER 350 CO 0.20 -0.22 -0.21 -0.69 0.98 0.00 0.00 173.24 173.29 2x05 s VAL 351 N -0.75 2.37 -1.36 5.02 1.01 -0.10 -1.42 120.40 125.17 2x05 s VAL 351 Ca -0.08 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 2x05 s VAL 351 Cb -0.05 -1.90 0.12 0.00 0.00 0.00 0.00 36.38 34.55 2x05 s VAL 351 CO 0.01 0.57 0.54 0.59 0.00 0.00 0.00 175.10 176.80 2x05 n ASN 352 N 2.97 -3.02 0.00 3.32 5.03 0.28 -0.01 115.26 123.82 2x05 n ASN 352 Ca -0.18 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.68 2x05 n ASN 352 Cb 0.52 -2.53 0.00 0.00 -1.02 0.00 0.00 39.78 36.76 2x05 n ASN 352 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x05 n GLY 353 N -1.14 1.28 3.56 7.41 0.00 -1.26 -5.00 105.19 110.05 2x05 n GLY 353 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2x05 n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x05 s LYS 354 N -0.49 3.70 0.68 1.61 -0.14 0.99 -5.05 119.74 121.03 2x05 s LYS 354 Ca 0.00 -0.27 -0.16 0.00 -1.36 0.00 0.00 55.97 54.18 2x05 s LYS 354 Cb 0.00 -3.76 0.01 0.00 -1.68 0.00 0.00 37.83 32.40 2x05 s LYS 354 CO 0.00 -0.46 1.21 -2.14 -0.76 0.00 0.00 175.35 173.20 2x05 s PRO 355 N 2.07 2.46 -0.14 -1.68 0.02 -1.26 -0.92 135.00 135.54 2x05 s PRO 355 Ca 0.13 1.79 -0.08 0.00 0.02 0.00 0.00 61.00 62.87 2x05 s PRO 355 Cb -0.16 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.54 2x05 s PRO 355 CO 0.11 -1.60 0.34 -1.17 -0.33 0.00 0.00 177.00 174.35 2x05 s LEU 356 N -4.74 0.18 -0.37 -5.54 2.96 -0.69 -4.88 118.68 105.59 2x05 s LEU 356 Ca 0.76 0.73 -0.29 0.00 -0.22 0.00 0.00 54.13 55.10 2x05 s LEU 356 Cb -0.30 1.08 0.02 0.00 0.50 0.00 0.00 46.19 47.49 2x05 s LEU 356 CO 0.41 -0.18 1.11 -0.22 -1.32 0.00 0.00 176.35 176.15 2x05 s LEU 357 N 1.25 3.83 0.14 -0.68 2.96 -1.26 -4.37 118.68 120.55 2x05 s LEU 357 Ca -0.09 0.87 -0.31 0.00 -0.22 0.00 0.00 54.13 54.38 2x05 s LEU 357 Cb -0.09 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 2x05 s LEU 357 CO -0.10 -1.01 1.54 -0.63 -1.32 0.00 0.00 176.35 174.83 2x05 s ILE 358 N 3.96 2.82 -0.16 6.68 -1.09 -1.17 -4.97 121.20 127.27 2x05 s ILE 358 Ca 0.47 0.55 -0.03 0.00 -2.23 0.00 0.00 60.65 59.42 2x05 s ILE 358 Cb -0.11 -3.35 0.05 0.00 -1.58 0.00 0.00 42.46 37.47 2x05 s ILE 358 CO 0.21 0.04 0.03 -0.13 -1.23 0.00 0.00 174.94 173.86 2x05 s ARG 359 N 1.34 0.62 0.10 2.79 0.52 -1.26 -1.74 118.95 121.32 2x05 s ARG 359 Ca 0.69 -0.25 -0.04 0.00 -0.52 0.00 0.00 55.73 55.61 2x05 s ARG 359 Cb -0.42 -1.78 0.02 0.00 0.52 0.00 0.00 34.95 33.29 2x05 s ARG 359 CO 0.31 -0.55 0.20 0.41 0.02 0.00 0.00 175.30 175.70 2x05 n GLY 360 N 5.09 1.74 3.16 -3.53 0.00 -0.21 -0.43 105.19 111.00 2x05 n GLY 360 Ca -0.08 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 2x05 n GLY 360 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x05 s GLY 361 N -1.53 0.25 -0.31 -0.02 0.00 -1.01 -0.77 107.32 103.92 2x05 s GLY 361 Ca 0.04 -0.86 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 2x05 s GLY 361 CO 0.03 -1.01 1.23 -0.32 0.00 0.00 0.00 173.10 173.02 2x05 s GLY 362 N -2.88 1.43 0.24 0.20 0.00 -0.52 -1.19 107.32 104.59 2x05 s GLY 362 Ca 0.06 0.03 -0.28 0.00 0.00 0.00 0.00 44.72 44.53 2x05 s GLY 362 CO -0.11 2.49 0.90 -0.47 0.00 0.00 0.00 173.10 175.92 2x05 s TYR 363 N 4.16 3.92 0.05 1.90 5.04 0.13 -1.10 117.35 131.46 2x05 s TYR 363 Ca 0.53 1.83 0.05 0.00 -2.44 0.00 0.00 57.07 57.04 2x05 s TYR 363 Cb -0.15 -2.92 -0.02 0.00 0.35 0.00 0.00 41.96 39.21 2x05 s TYR 363 CO 0.21 0.43 -0.15 -0.08 -1.34 0.00 0.00 175.55 174.62 2x05 s THR 364 N -1.25 1.22 1.00 4.34 -1.32 -1.26 -4.46 115.64 113.91 2x05 s THR 364 Ca 0.41 -1.14 -0.17 0.00 -1.21 0.00 0.00 61.69 59.59 2x05 s THR 364 Cb -0.24 -1.12 0.22 0.00 -1.51 0.00 0.00 72.50 69.85 2x05 s THR 364 CO 0.29 -0.04 1.29 -2.16 -2.21 0.00 0.00 174.62 171.80 2x05 s PRO 365 N -1.35 0.31 0.22 7.08 0.04 -1.26 -4.81 135.00 135.23 2x05 s PRO 365 Ca 0.02 -0.37 -0.32 0.00 0.04 0.00 0.00 61.00 60.37 2x05 s PRO 365 Cb -0.09 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 2x05 s PRO 365 CO 0.02 -2.64 1.36 -3.47 0.04 0.00 0.00 177.00 172.30 2x05 n ASP 366 N -3.94 2.43 -0.48 6.66 2.03 -1.26 -4.18 116.55 117.81 2x05 n ASP 366 Ca 0.15 1.14 0.41 0.00 0.52 0.00 0.00 54.79 57.01 2x05 n ASP 366 Cb 0.59 -1.38 0.74 0.00 -0.72 0.00 0.00 41.12 40.36 2x05 n ASP 366 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2x05 h LEU 367 N 4.08 0.08 -3.25 -2.67 5.85 -0.77 0.37 115.31 119.00 2x05 h LEU 367 Ca -0.45 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 2x05 h LEU 367 Cb 1.29 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2x05 h LEU 367 CO 0.75 -0.03 -0.00 0.49 -0.34 0.00 0.00 178.44 179.31 2x05 n PHE 368 N -4.23 0.90 -2.00 1.25 3.72 -1.26 -4.82 117.46 111.02 2x05 n PHE 368 Ca 0.34 -0.89 -0.17 0.00 -0.05 0.00 0.00 57.45 56.69 2x05 n PHE 368 Cb 1.51 -0.31 -0.04 0.00 -0.94 0.00 0.00 39.48 39.71 2x05 n PHE 368 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2x05 n LEU 369 N -0.56 -1.40 -4.66 4.37 4.77 0.13 -4.37 117.00 115.28 2x05 n LEU 369 Ca 0.21 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 2x05 n LEU 369 Cb 0.88 -2.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.47 2x05 n LEU 369 CO 0.15 -0.49 1.41 -0.13 -1.33 0.00 0.00 177.39 177.00 2x05 s ARG 370 N -4.30 4.11 -0.15 3.23 0.52 -1.26 -4.81 118.95 116.28 2x05 s ARG 370 Ca 0.00 2.18 -0.07 0.00 -0.52 0.00 0.00 55.73 57.32 2x05 s ARG 370 Cb 0.00 -4.02 -0.04 0.00 0.52 0.00 0.00 34.95 31.41 2x05 s ARG 370 CO 0.00 -0.94 0.11 -0.46 0.02 0.00 0.00 175.30 174.03 2x05 s TRP 371 N 4.33 3.43 -0.17 -0.53 -0.11 -1.26 -4.64 118.94 119.99 2x05 s TRP 371 Ca 0.76 0.35 -0.05 0.00 1.22 0.00 0.00 56.10 58.38 2x05 s TRP 371 Cb -0.33 -2.01 0.08 0.00 -1.50 0.00 0.00 33.47 29.71 2x05 s TRP 371 CO 0.31 0.48 0.32 1.21 -4.62 0.00 0.00 176.95 174.65 2x05 s ASN 372 N -0.37 0.23 0.13 5.86 3.84 -1.26 -5.08 114.94 118.30 2x05 s ASN 372 Ca 0.11 0.60 -0.23 0.00 0.21 0.00 0.00 52.86 53.54 2x05 s ASN 372 Cb -0.12 0.94 -0.02 0.00 -0.55 0.00 0.00 41.25 41.50 2x05 s ASN 372 CO 0.01 -0.25 1.65 -0.08 -2.79 0.00 0.00 177.10 175.64 2x05 h GLU 373 N 8.24 -0.26 -0.40 0.43 4.81 -1.99 -1.56 114.58 123.85 2x05 h GLU 373 Ca -0.16 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2x05 h GLU 373 Cb 1.12 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 2x05 h GLU 373 CO 0.16 -0.17 -0.15 1.15 -0.73 0.00 0.00 179.01 179.27 2x05 h THR 374 N -0.27 0.51 -0.78 0.32 2.02 -1.99 -0.44 112.91 112.29 2x05 h THR 374 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.29 2x05 h THR 374 Cb 0.41 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 2x05 h THR 374 CO -0.27 0.00 0.51 0.00 0.37 0.00 0.00 175.52 176.13 2x05 h ALA 375 N 1.28 0.99 -0.45 6.16 0.00 -1.92 0.14 119.26 125.47 2x05 h ALA 375 Ca 0.19 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2x05 h ALA 375 Cb 0.36 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2x05 h ALA 375 CO -0.44 0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.32 2x05 h ALA 376 N 1.29 0.52 -0.65 0.00 0.00 -0.40 -0.22 119.26 119.81 2x05 h ALA 376 Ca 0.29 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2x05 h ALA 376 Cb -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2x05 h ALA 376 CO -0.07 -0.26 0.26 0.00 0.00 0.00 0.00 179.25 179.17 2x05 h ALA 377 N 1.31 1.23 -0.49 0.00 0.00 0.04 -1.54 119.26 119.82 2x05 h ALA 377 Ca 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2x05 h ALA 377 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2x05 h ALA 377 CO -0.24 0.56 0.13 -0.44 0.00 0.00 0.00 179.25 179.26 2x05 h ASP 378 N 0.94 0.73 -0.01 0.00 3.32 0.11 0.73 116.42 122.23 2x05 h ASP 378 Ca 0.22 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x05 h ASP 378 Cb 0.19 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2x05 h ASP 378 CO -0.02 0.76 -0.01 0.11 -1.72 0.00 0.00 179.24 178.36 2x05 h LYS 379 N 0.66 -0.02 -0.46 3.56 1.57 -0.77 -1.00 116.57 120.11 2x05 h LYS 379 Ca 0.15 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2x05 h LYS 379 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2x05 h LYS 379 CO -0.00 -0.01 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.74 2x05 h LEU 380 N -0.02 0.79 -1.57 2.94 3.38 -1.18 -2.87 115.31 116.77 2x05 h LEU 380 Ca 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2x05 h LEU 380 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2x05 h LEU 380 CO -0.02 0.89 0.13 0.11 0.09 0.00 0.00 178.44 179.63 2x05 h LYS 381 N 0.74 0.41 -0.19 1.13 1.57 -0.46 -1.35 116.57 118.42 2x05 h LYS 381 Ca 0.13 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2x05 h LYS 381 Cb 0.54 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2x05 h LYS 381 CO 0.03 0.33 -0.25 1.88 -0.57 0.00 0.00 179.45 180.88 2x05 h TYR 382 N 0.42 0.39 -0.55 -1.35 -1.99 -0.98 -1.89 116.97 111.02 2x05 h TYR 382 Ca 0.11 -0.08 0.08 0.00 2.00 0.00 0.00 58.73 60.84 2x05 h TYR 382 Cb 0.07 -0.10 -0.07 0.00 2.00 0.00 0.00 36.73 38.63 2x05 h TYR 382 CO 0.00 0.58 0.19 0.28 -0.00 0.00 0.00 178.16 179.21 2x05 h VAL 383 N 0.32 0.79 -0.24 -2.88 2.07 -1.08 0.04 116.25 115.27 2x05 h VAL 383 Ca 0.05 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 2x05 h VAL 383 Cb 0.61 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2x05 h VAL 383 CO 0.04 0.07 -0.30 -0.07 0.02 0.00 0.00 177.57 177.34 2x05 h LEU 384 N 0.37 0.67 -1.83 2.57 3.38 -1.46 -2.16 115.31 116.85 2x05 h LEU 384 Ca 0.27 -0.50 0.12 0.00 0.09 0.00 0.00 57.88 57.87 2x05 h LEU 384 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2x05 h LEU 384 CO -0.28 1.03 0.37 -1.13 0.09 0.00 0.00 178.44 178.52 2x05 h ASN 385 N 0.32 0.17 0.98 -0.43 -0.73 -0.86 0.23 115.58 115.26 2x05 h ASN 385 Ca 0.03 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 2x05 h ASN 385 Cb 0.87 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 2x05 h ASN 385 CO 0.07 0.10 -0.19 -0.07 -0.37 0.00 0.00 177.43 176.97 2x05 h LEU 386 N 0.18 0.00 0.00 0.34 3.38 -0.84 -3.47 115.31 114.91 2x05 h LEU 386 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2x05 h LEU 386 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2x05 h LEU 386 CO -0.04 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2x05 n GLY 387 N 0.18 0.74 3.77 0.83 0.00 0.79 -3.65 105.19 107.85 2x05 n GLY 387 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2x05 n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x05 s LEU 388 N 0.00 3.49 -0.01 0.99 1.43 -0.83 -4.87 118.68 118.89 2x05 s LEU 388 Ca 0.00 2.07 0.11 0.00 -1.03 0.00 0.00 54.13 55.28 2x05 s LEU 388 Cb 0.00 -4.56 -0.14 0.00 0.03 0.00 0.00 46.19 41.52 2x05 s LEU 388 CO 0.00 -1.55 0.36 -0.46 0.23 0.00 0.00 176.35 174.93 2x05 n ASN 389 N -2.11 1.40 -3.94 2.29 0.23 0.43 -4.42 115.26 109.14 2x05 n ASN 389 Ca 0.11 -0.41 -0.10 0.00 -0.53 0.00 0.00 54.58 53.65 2x05 n ASN 389 Cb 0.52 1.23 -0.12 0.00 -2.08 0.00 0.00 39.78 39.33 2x05 n ASN 389 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2x05 s THR 390 N -2.36 0.07 -0.03 5.53 2.01 -0.92 -1.03 115.64 118.92 2x05 s THR 390 Ca 0.00 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.45 2x05 s THR 390 Cb 0.08 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.39 2x05 s THR 390 CO 0.45 -0.34 -0.23 0.68 -0.69 0.00 0.00 174.62 174.48 2x05 s VAL 391 N -0.99 1.88 0.01 3.82 -7.23 0.37 -2.42 120.40 115.85 2x05 s VAL 391 Ca -0.11 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 2x05 s VAL 391 Cb -0.07 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 2x05 s VAL 391 CO -0.01 0.53 0.36 -0.60 -0.31 0.00 0.00 175.10 175.07 2x05 s ARG 392 N -0.37 3.77 -0.41 4.82 3.52 -0.34 -0.67 118.95 129.27 2x05 s ARG 392 Ca 0.04 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 2x05 s ARG 392 Cb -0.11 -3.13 0.11 0.00 -1.56 0.00 0.00 34.95 30.27 2x05 s ARG 392 CO 0.01 0.65 0.16 -0.51 -0.81 0.00 0.00 175.30 174.80 2x05 s LEU 393 N -1.43 4.83 -0.97 -0.88 1.02 -0.77 0.20 118.68 120.68 2x05 s LEU 393 Ca 0.26 -2.36 -0.24 0.00 0.02 0.00 0.00 54.13 51.82 2x05 s LEU 393 Cb -0.15 -1.70 0.04 0.00 0.02 0.00 0.00 46.19 44.41 2x05 s LEU 393 CO 0.14 -0.39 1.46 -0.70 0.02 0.00 0.00 176.35 176.89 2x05 s GLU 394 N 0.64 3.47 2.74 1.70 2.12 -1.26 -2.14 118.70 125.97 2x05 s GLU 394 Ca 0.12 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2x05 s GLU 394 Cb -0.21 -5.19 0.00 0.00 0.26 0.00 0.00 34.13 28.99 2x05 s GLU 394 CO -0.05 -2.28 0.00 0.41 -0.54 0.00 0.00 175.26 172.80 2x05 n GLY 395 N 6.69 0.31 2.91 -1.50 0.00 0.64 -4.68 105.19 109.57 2x05 n GLY 395 Ca 0.30 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 2x05 n GLY 395 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2x05 n HIS 396 N -0.00 -1.65 -1.68 1.61 8.25 -1.26 -4.78 115.22 115.71 2x05 n HIS 396 Ca 0.00 0.26 -0.46 0.00 -0.26 0.00 0.00 57.72 57.26 2x05 n HIS 396 Cb 0.00 -2.93 -0.04 0.00 1.12 0.00 0.00 29.99 28.14 2x05 n HIS 396 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2x05 n ILE 397 N -3.70 0.19 -1.52 1.59 5.41 -1.26 -4.78 119.36 115.28 2x05 n ILE 397 Ca -0.08 -0.03 -0.31 0.00 1.00 0.00 0.00 62.75 63.33 2x05 n ILE 397 Cb 0.58 -1.70 0.07 0.00 -0.71 0.00 0.00 39.64 37.88 2x05 n ILE 397 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2x05 s GLU 398 N 1.92 2.58 0.79 0.38 0.41 -1.26 -5.03 118.70 118.49 2x05 s GLU 398 Ca 0.83 0.89 -0.12 0.00 -0.41 0.00 0.00 54.97 56.15 2x05 s GLU 398 Cb -0.66 -1.95 0.07 0.00 -1.78 0.00 0.00 34.13 29.81 2x05 s GLU 398 CO 0.41 -1.33 1.15 -2.14 -0.49 0.00 0.00 175.26 172.86 2x05 s PRO 399 N -5.06 1.87 0.25 0.39 0.02 -1.26 -4.87 135.00 126.34 2x05 s PRO 399 Ca 0.59 1.54 -0.08 0.00 0.02 0.00 0.00 61.00 63.07 2x05 s PRO 399 Cb -0.15 -1.82 0.39 0.00 0.02 0.00 0.00 34.50 32.94 2x05 s PRO 399 CO 0.55 -1.99 1.39 -0.25 -0.33 0.00 0.00 177.00 176.37 2x05 n ASP 400 N -3.34 -0.34 -0.11 2.53 9.92 -1.26 -0.95 116.55 123.00 2x05 n ASP 400 Ca 0.12 1.54 0.16 0.00 -0.53 0.00 0.00 54.79 56.08 2x05 n ASP 400 Cb 0.52 -0.46 0.56 0.00 -0.64 0.00 0.00 41.12 41.10 2x05 n ASP 400 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2x05 h GLU 401 N 0.00 0.28 -0.90 -1.24 3.07 -1.99 0.26 114.58 114.07 2x05 h GLU 401 Ca 0.42 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.25 2x05 h GLU 401 Cb 0.64 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 2x05 h GLU 401 CO -0.92 0.19 0.50 0.35 -1.40 0.00 0.00 179.01 177.73 2x05 h PHE 402 N 0.29 1.22 -0.02 4.33 3.57 -1.38 -0.68 116.94 124.27 2x05 h PHE 402 Ca 0.33 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.62 2x05 h PHE 402 Cb 0.87 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2x05 h PHE 402 CO -0.00 0.84 -0.79 0.74 -2.23 0.00 0.00 178.31 176.87 2x05 h PHE 403 N 1.25 0.33 -0.43 0.41 0.04 -0.63 -0.92 116.94 116.99 2x05 h PHE 403 Ca 0.32 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 60.95 2x05 h PHE 403 Cb 0.01 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 2x05 h PHE 403 CO 0.01 0.93 0.23 -0.44 -0.60 0.00 0.00 178.31 178.43 2x05 h ASP 404 N 0.15 0.34 -0.28 2.17 3.32 -1.14 0.20 116.42 121.18 2x05 h ASP 404 Ca -0.03 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2x05 h ASP 404 Cb 1.38 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 2x05 h ASP 404 CO 0.12 0.24 -0.06 0.40 -1.72 0.00 0.00 179.24 178.23 2x05 h ILE 405 N 0.46 1.28 -0.46 0.35 2.04 -1.02 0.49 117.51 120.64 2x05 h ILE 405 Ca 0.18 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 65.04 2x05 h ILE 405 Cb 0.07 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 2x05 h ILE 405 CO -0.12 0.34 0.12 0.00 0.00 0.00 0.00 178.15 178.49 2x05 h ALA 406 N 0.79 0.53 0.10 1.87 0.00 -0.95 -0.26 119.26 121.34 2x05 h ALA 406 Ca 0.07 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2x05 h ALA 406 Cb 0.53 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2x05 h ALA 406 CO 0.03 -0.28 -0.25 -0.44 0.00 0.00 0.00 179.25 178.30 2x05 h ASP 407 N 0.27 -0.72 -0.69 0.00 3.32 -0.37 0.18 116.42 118.42 2x05 h ASP 407 Ca 0.23 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.37 2x05 h ASP 407 Cb 0.27 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 2x05 h ASP 407 CO -0.27 -0.34 0.46 0.44 -1.72 0.00 0.00 179.24 177.80 2x05 h ASP 408 N -0.45 0.79 0.90 6.45 3.32 -0.22 -2.60 116.42 124.61 2x05 h ASP 408 Ca 0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2x05 h ASP 408 Cb 0.48 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2x05 h ASP 408 CO -0.16 0.57 -0.90 -0.07 -1.72 0.00 0.00 179.24 176.96 2x05 h LEU 409 N 0.93 0.00 -0.25 1.55 3.38 -0.92 -3.44 115.31 116.55 2x05 h LEU 409 Ca 0.25 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2x05 h LEU 409 Cb -0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.65 2x05 h LEU 409 CO -0.06 0.05 -0.07 0.61 0.09 0.00 0.00 178.44 179.07 2x05 n GLY 410 N 1.24 0.50 3.68 0.83 0.00 0.54 -4.42 105.19 107.57 2x05 n GLY 410 Ca 0.01 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 2x05 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x05 s VAL 411 N -2.52 5.17 0.42 1.61 1.01 -0.58 -1.25 120.40 124.27 2x05 s VAL 411 Ca 0.03 0.84 -0.23 0.00 0.00 0.00 0.00 61.98 62.62 2x05 s VAL 411 Cb -0.01 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 2x05 s VAL 411 CO 0.04 0.25 1.04 -0.76 0.00 0.00 0.00 175.10 175.67 2x05 s LEU 412 N 1.24 4.05 0.04 3.92 1.43 -0.19 -4.56 118.68 124.61 2x05 s LEU 412 Ca 0.22 2.00 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 2x05 s LEU 412 Cb -0.15 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.75 2x05 s LEU 412 CO 0.09 -0.56 -0.16 0.42 0.23 0.00 0.00 176.35 176.37 2x05 s THR 413 N -1.76 1.26 -0.62 5.49 -4.23 -0.71 -0.47 115.64 114.60 2x05 s THR 413 Ca 0.60 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.10 2x05 s THR 413 Cb -0.20 -1.13 0.23 0.00 1.34 0.00 0.00 72.50 72.74 2x05 s THR 413 CO 0.25 0.04 0.66 0.23 -0.54 0.00 0.00 174.62 175.26 2x05 n MET 414 N 1.83 2.15 -1.36 3.99 2.81 0.15 -1.65 117.12 125.05 2x05 n MET 414 Ca -0.18 -4.46 -0.31 0.00 -1.81 0.00 0.00 57.70 50.95 2x05 n MET 414 Cb 0.54 -2.15 0.09 0.00 -0.71 0.00 0.00 33.22 31.00 2x05 n MET 414 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2x05 s PRO 415 N -2.08 2.15 0.00 0.03 0.04 -1.24 -1.85 135.00 132.04 2x05 s PRO 415 Ca 0.36 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2x05 s PRO 415 Cb 0.11 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2x05 s PRO 415 CO -0.06 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 175.73 2x05 n GLY 416 N -1.51 -0.69 3.75 0.56 0.00 -0.91 -1.29 105.19 105.10 2x05 n GLY 416 Ca 0.08 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 2x05 n GLY 416 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x05 s TRP 417 N -2.00 2.45 0.24 1.61 0.23 -0.63 -0.26 118.94 120.59 2x05 s TRP 417 Ca 0.00 1.09 0.08 0.00 -2.03 0.00 0.00 56.10 55.24 2x05 s TRP 417 Cb 0.00 -3.22 -0.04 0.00 0.03 0.00 0.00 33.47 30.25 2x05 s TRP 417 CO 0.00 -2.33 0.12 -1.83 0.96 0.00 0.00 176.95 173.88 2x05 s GLU 418 N -5.07 2.72 0.80 4.98 -1.05 -1.26 -3.95 118.70 115.87 2x05 s GLU 418 Ca 0.63 -1.14 -0.08 0.00 -0.15 0.00 0.00 54.97 54.23 2x05 s GLU 418 Cb -0.16 -2.45 0.13 0.00 -0.44 0.00 0.00 34.13 31.21 2x05 s GLU 418 CO 0.56 0.40 1.11 0.00 0.95 0.00 0.00 175.26 178.28 2x05 n ASP 421 N 0.22 0.00 -0.35 0.00 5.68 -1.21 -4.54 116.55 116.35 2x05 n ASP 421 Ca -0.07 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.35 2x05 n ASP 421 Cb 0.28 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.58 2x05 n ASP 421 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2x05 h LYS 422 N 0.00 0.74 -0.92 0.11 1.63 -1.26 -2.19 116.57 114.68 2x05 h LYS 422 Ca 0.00 -0.04 0.15 0.00 -0.85 0.00 0.00 60.65 59.91 2x05 h LYS 422 Cb 0.00 -0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 31.39 2x05 h LYS 422 CO 0.00 0.49 0.59 -1.49 -3.45 0.00 0.00 179.45 175.59 2x05 h TRP 423 N 0.76 0.85 -0.36 1.91 4.06 -1.83 0.17 115.95 121.52 2x05 h TRP 423 Ca 0.57 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.55 2x05 h TRP 423 Cb 0.88 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 2x05 h TRP 423 CO -0.01 0.29 0.00 0.39 -3.56 0.00 0.00 178.44 175.55 2x05 n GLU 424 N -4.59 2.75 0.23 0.49 1.02 -0.91 -4.69 120.64 114.93 2x05 n GLU 424 Ca 0.19 -2.05 0.13 0.00 -0.02 0.00 0.00 57.16 55.41 2x05 n GLU 424 Cb 0.50 -1.29 0.70 0.00 -0.02 0.00 0.00 31.44 31.33 2x05 n GLU 424 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2x05 h GLY 425 N 2.19 0.00 0.38 0.62 0.00 -0.36 -0.50 103.07 105.41 2x05 h GLY 425 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2x05 h GLY 425 CO 0.00 0.00 -0.98 -0.18 0.00 0.00 0.00 176.54 175.38 2x05 n GLN 426 N -2.48 0.13 0.00 4.80 -0.06 -1.26 -2.45 117.38 116.07 2x05 n GLN 426 Ca -0.02 -0.02 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 2x05 n GLN 426 Cb 0.16 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 2x05 n GLN 426 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 2x05 n VAL 427 N -1.69 0.00 0.67 1.69 0.24 -0.50 -4.84 118.33 113.89 2x05 n VAL 427 Ca 0.03 -0.32 0.12 0.00 -2.04 0.00 0.00 64.34 62.13 2x05 n VAL 427 Cb 0.38 1.16 0.24 0.00 -1.47 0.00 0.00 33.84 34.15 2x05 n VAL 427 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2x05 n ASN 428 N -0.36 2.95 0.00 -1.34 2.04 -0.31 -5.00 115.26 113.24 2x05 n ASN 428 Ca 0.00 -1.92 0.00 0.00 -0.44 0.00 0.00 54.58 52.22 2x05 n ASN 428 Cb 0.04 -0.17 0.00 0.00 -2.53 0.00 0.00 39.78 37.12 2x05 n ASN 428 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2x05 n GLY 429 N 1.39 3.57 0.02 4.83 0.00 -1.26 -2.63 105.19 111.11 2x05 n GLY 429 Ca 0.18 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.52 2x05 n GLY 429 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2x05 n GLU 430 N 10.70 0.03 -2.63 1.61 0.00 -1.26 -4.78 120.64 124.31 2x05 n GLU 430 Ca 0.00 0.23 -0.34 0.00 0.00 0.00 0.00 57.16 57.06 2x05 n GLU 430 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 31.44 29.84 2x05 n GLU 430 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2x05 s GLU 431 N -3.04 3.95 0.52 3.44 2.56 -1.08 -4.98 118.70 120.07 2x05 s GLU 431 Ca 0.08 1.26 -0.20 0.00 0.00 0.00 0.00 54.97 56.11 2x05 s GLU 431 Cb 0.11 -2.13 -0.10 0.00 2.00 0.00 0.00 34.13 34.02 2x05 s GLU 431 CO 0.33 -0.29 0.61 1.63 -0.56 0.00 0.00 175.26 176.98 2x05 n LYS 432 N -0.88 0.64 0.00 4.30 4.76 -1.26 -4.84 118.16 120.88 2x05 n LYS 432 Ca 0.08 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2x05 n LYS 432 Cb 0.53 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2x05 n LYS 432 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x05 n GLY 433 N 1.69 3.60 3.79 0.72 0.00 -1.26 -3.36 105.19 110.37 2x05 n GLY 433 Ca 0.11 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2x05 n GLY 433 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x05 s GLU 434 N -5.22 4.42 0.50 1.61 2.02 -0.91 -4.46 118.70 116.67 2x05 s GLU 434 Ca 0.00 1.00 -0.20 0.00 0.02 0.00 0.00 54.97 55.78 2x05 s GLU 434 Cb 0.00 -3.21 -0.10 0.00 0.10 0.00 0.00 34.13 30.93 2x05 s GLU 434 CO 0.00 0.57 0.67 -2.30 0.02 0.00 0.00 175.26 174.22 2x05 n PRO 435 N 1.52 0.73 -2.85 0.39 -0.02 -1.03 -4.08 135.00 129.67 2x05 n PRO 435 Ca -0.07 0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 61.33 2x05 n PRO 435 Cb 0.50 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 2x05 n PRO 435 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2x05 s TRP 436 N -1.54 3.57 0.54 6.00 0.52 -1.26 -4.88 118.94 121.89 2x05 s TRP 436 Ca 0.67 1.66 0.08 0.00 0.02 0.00 0.00 56.10 58.53 2x05 s TRP 436 Cb -0.51 -2.85 0.06 0.00 -1.15 0.00 0.00 33.47 29.02 2x05 s TRP 436 CO 0.55 0.14 0.62 0.14 0.02 0.00 0.00 176.95 178.42 2x05 s VAL 437 N -1.77 2.09 0.30 4.03 -7.23 -1.26 -5.01 120.40 111.55 2x05 s VAL 437 Ca 0.52 -1.19 -0.01 0.00 -1.81 0.00 0.00 61.98 59.50 2x05 s VAL 437 Cb -0.15 -2.27 0.23 0.00 0.56 0.00 0.00 36.38 34.74 2x05 s VAL 437 CO 0.20 0.00 1.94 -0.33 -0.31 0.00 0.00 175.10 176.60 2x05 h GLU 438 N 0.47 0.96 0.00 4.82 4.39 -2.03 -2.45 114.58 120.73 2x05 h GLU 438 Ca -0.34 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2x05 h GLU 438 Cb 1.29 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2x05 h GLU 438 CO 0.48 0.69 0.00 0.66 -1.16 0.00 0.00 179.01 179.68 2x05 h SER 439 N 0.97 0.00 0.55 1.42 4.64 -2.04 -2.88 113.55 116.22 2x05 h SER 439 Ca 0.25 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 2x05 h SER 439 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2x05 h SER 439 CO -0.04 0.00 -0.62 0.44 -0.87 0.00 0.00 176.83 175.73 2x05 h ASP 440 N 0.00 0.08 0.27 4.97 3.32 -1.83 -3.32 116.42 119.90 2x05 h ASP 440 Ca 0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2x05 h ASP 440 Cb 0.30 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2x05 h ASP 440 CO 0.00 0.68 -0.13 1.88 -1.72 0.00 0.00 179.24 179.95 2x05 h TYR 441 N 0.05 -0.34 0.00 4.55 -1.99 -1.62 -1.97 116.97 115.66 2x05 h TYR 441 Ca -0.01 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 2x05 h TYR 441 Cb 1.11 0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.95 2x05 h TYR 441 CO 0.01 -0.11 -0.19 -1.00 -0.00 0.00 0.00 178.16 176.86 2x05 h PRO 442 N -0.51 0.00 -0.45 4.88 0.13 -1.75 -1.49 132.00 132.82 2x05 h PRO 442 Ca -0.04 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 2x05 h PRO 442 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 2x05 h PRO 442 CO 0.06 0.19 -0.12 0.82 -0.23 0.00 0.00 178.00 178.72 2x05 h ILE 443 N 0.00 1.27 -0.17 -3.56 2.04 -1.61 0.79 117.51 116.28 2x05 h ILE 443 Ca -0.00 -1.24 -0.18 0.00 1.00 0.00 0.00 64.86 64.44 2x05 h ILE 443 Cb 0.51 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2x05 h ILE 443 CO 0.02 0.42 -0.62 0.00 0.00 0.00 0.00 178.15 177.98 2x05 h ALA 444 N 0.86 0.60 -0.12 1.87 0.00 -0.91 0.70 119.26 122.26 2x05 h ALA 444 Ca 0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2x05 h ALA 444 Cb 0.66 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2x05 h ALA 444 CO 0.05 0.70 -0.03 -0.22 0.00 0.00 0.00 179.25 179.75 2x05 h LYS 445 N 0.43 0.23 -0.40 0.00 3.64 -1.29 -1.93 116.57 117.25 2x05 h LYS 445 Ca -0.01 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2x05 h LYS 445 Cb 1.19 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2x05 h LYS 445 CO 0.12 0.54 0.27 0.00 -2.27 0.00 0.00 179.45 178.11 2x05 h ALA 446 N 0.68 1.96 -0.39 5.00 0.00 -0.70 -1.60 119.26 124.20 2x05 h ALA 446 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2x05 h ALA 446 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2x05 h ALA 446 CO 0.01 -0.03 -0.10 0.77 0.00 0.00 0.00 179.25 179.91 2x05 h SER 447 N 0.33 0.76 -0.18 0.00 0.02 -0.67 -1.83 113.55 111.97 2x05 h SER 447 Ca 0.17 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2x05 h SER 447 Cb 0.27 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2x05 h SER 447 CO -0.04 0.95 0.12 -0.03 -1.14 0.00 0.00 176.83 176.70 2x05 h MET 448 N 0.57 0.24 -0.52 3.45 -1.53 -0.85 -2.20 114.93 114.09 2x05 h MET 448 Ca 0.10 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.36 2x05 h MET 448 Cb 0.62 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.58 2x05 h MET 448 CO 0.04 0.16 0.32 0.35 0.14 0.00 0.00 176.91 177.92 2x05 h PHE 449 N 0.25 0.60 -0.45 1.39 3.57 -1.24 0.46 116.94 121.52 2x05 h PHE 449 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2x05 h PHE 449 Cb -0.03 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2x05 h PHE 449 CO -0.06 0.35 0.21 0.77 -2.23 0.00 0.00 178.31 177.35 2x05 h SER 450 N 0.64 0.60 -0.10 0.41 0.02 -1.24 0.30 113.55 114.18 2x05 h SER 450 Ca 0.20 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2x05 h SER 450 Cb -0.01 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 2x05 h SER 450 CO -0.08 0.57 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.78 2x05 h GLU 451 N 0.59 0.22 -0.81 3.45 4.39 -1.09 -0.07 114.58 121.26 2x05 h GLU 451 Ca 0.15 -0.10 0.16 0.00 0.34 0.00 0.00 59.36 59.91 2x05 h GLU 451 Cb 0.13 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.68 2x05 h GLU 451 CO -0.02 0.61 0.35 0.00 -1.16 0.00 0.00 179.01 178.78 2x05 h ALA 452 N 0.61 1.18 0.24 3.43 0.00 0.11 0.11 119.26 124.95 2x05 h ALA 452 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2x05 h ALA 452 Cb 0.55 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2x05 h ALA 452 CO 0.02 -0.21 -0.11 1.49 0.00 0.00 0.00 179.25 180.44 2x05 h GLU 453 N 0.48 -0.31 -0.84 0.00 4.81 -0.76 -0.75 114.58 117.21 2x05 h GLU 453 Ca 0.45 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.83 2x05 h GLU 453 Cb 0.72 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.11 2x05 h GLU 453 CO -0.42 -0.09 0.55 0.00 -0.73 0.00 0.00 179.01 178.32 2x05 h ARG 454 N -0.49 0.66 0.00 1.92 3.08 -0.25 -3.33 114.38 115.97 2x05 h ARG 454 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2x05 h ARG 454 Cb 0.37 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2x05 h ARG 454 CO 0.05 0.44 -1.98 1.28 -1.07 0.00 0.00 179.97 178.69 2x05 n LEU 455 N -4.53 0.00 -0.12 3.04 4.77 0.33 -4.59 117.00 115.89 2x05 n LEU 455 Ca 0.16 0.00 0.26 0.00 -0.03 0.00 0.00 56.01 56.40 2x05 n LEU 455 Cb 0.42 0.04 0.72 0.00 -2.33 0.00 0.00 43.42 42.27 2x05 n LEU 455 CO 0.31 0.04 1.24 0.08 -1.33 0.00 0.00 177.39 177.73 2x05 h ARG 456 N 0.00 0.00 -0.50 3.23 0.11 -1.25 -2.28 114.38 113.69 2x05 h ARG 456 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2x05 h ARG 456 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 2x05 h ARG 456 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 2x05 n ASP 457 N -4.24 3.37 -4.52 0.08 9.92 -1.26 -4.88 116.55 115.02 2x05 n ASP 457 Ca 0.16 -1.97 -0.42 0.00 -0.53 0.00 0.00 54.79 52.03 2x05 n ASP 457 Cb 0.87 -0.33 -0.09 0.00 -0.64 0.00 0.00 41.12 40.93 2x05 n ASP 457 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2x05 s HIS 458 N -1.06 3.19 0.40 1.24 3.76 -0.86 -3.73 115.29 118.23 2x05 s HIS 458 Ca 0.35 -0.14 0.37 0.00 -0.15 0.00 0.00 55.06 55.49 2x05 s HIS 458 Cb 0.19 -2.79 1.83 0.00 1.11 0.00 0.00 32.58 32.93 2x05 s HIS 458 CO 0.25 -0.55 2.17 -1.00 -0.85 0.00 0.00 174.74 174.76 2x05 h PRO 459 N 8.57 0.00 -0.66 8.40 0.13 -1.88 -2.79 132.00 143.76 2x05 h PRO 459 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 2x05 h PRO 459 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2x05 h PRO 459 CO 0.74 0.02 0.33 0.66 -0.23 0.00 0.00 178.00 179.52 2x05 h SER 460 N 0.00 0.84 -2.53 1.44 4.64 -1.87 -3.43 113.55 112.63 2x05 h SER 460 Ca -0.00 -0.08 -0.54 0.00 -0.47 0.00 0.00 61.79 60.70 2x05 h SER 460 Cb 0.26 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2x05 h SER 460 CO 0.00 0.71 1.13 -0.69 -0.87 0.00 0.00 176.83 177.11 2x05 s VAL 461 N -5.55 3.31 -0.38 0.95 1.01 -1.06 -1.73 120.40 116.95 2x05 s VAL 461 Ca -0.11 0.43 0.15 0.00 0.00 0.00 0.00 61.98 62.46 2x05 s VAL 461 Cb 0.17 -3.28 -0.20 0.00 0.00 0.00 0.00 36.38 33.07 2x05 s VAL 461 CO 0.79 -0.03 0.49 2.30 0.00 0.00 0.00 175.10 178.65 2x05 n ILE 462 N 5.41 0.00 -3.66 2.22 -5.35 -0.66 -4.93 119.36 112.40 2x05 n ILE 462 Ca 0.18 -0.24 -0.02 0.00 -0.27 0.00 0.00 62.75 62.39 2x05 n ILE 462 Cb 0.42 0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 38.90 2x05 n ILE 462 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2x05 s SER 463 N -3.05 -0.15 -0.13 7.28 1.04 -1.26 -3.98 113.70 113.45 2x05 s SER 463 Ca 0.00 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.22 2x05 s SER 463 Cb 0.11 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.57 2x05 s SER 463 CO 0.63 -0.58 -0.14 0.12 0.98 0.00 0.00 173.24 174.25 2x05 s PHE 464 N -2.86 1.98 -0.36 5.02 5.36 -0.66 -3.70 117.98 122.75 2x05 s PHE 464 Ca 0.12 -1.02 -0.29 0.00 -0.96 0.00 0.00 56.93 54.78 2x05 s PHE 464 Cb 0.01 -1.46 0.02 0.00 -0.34 0.00 0.00 43.02 41.25 2x05 s PHE 464 CO -0.02 -0.56 1.08 -1.01 -1.46 0.00 0.00 175.22 173.24 2x05 s HIS 465 N 1.30 3.07 -1.62 10.12 3.76 -0.41 -1.63 115.29 129.87 2x05 s HIS 465 Ca -0.00 1.05 0.28 0.00 -0.15 0.00 0.00 55.06 56.24 2x05 s HIS 465 Cb -0.14 -3.86 1.07 0.00 1.11 0.00 0.00 32.58 30.76 2x05 s HIS 465 CO -0.06 -0.89 1.76 0.44 -0.85 0.00 0.00 174.74 175.14 2x05 n ILE 466 N 6.11 0.00 -3.95 0.60 -5.35 -0.27 -1.60 119.36 114.90 2x05 n ILE 466 Ca 0.12 -0.07 -0.09 0.00 -0.27 0.00 0.00 62.75 62.43 2x05 n ILE 466 Cb 0.48 0.04 -0.06 0.00 -1.74 0.00 0.00 39.64 38.35 2x05 n ILE 466 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2x05 s GLY 467 N -2.52 0.44 0.00 3.28 0.00 -0.92 -4.53 107.32 103.06 2x05 s GLY 467 Ca 0.26 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2x05 s GLY 467 CO 0.50 -0.66 0.00 -1.26 0.00 0.00 0.00 173.10 171.68 2x05 n SER 468 N -0.32 0.00 -0.03 1.64 2.88 -1.26 -3.82 113.62 112.71 2x05 n SER 468 Ca -0.05 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.35 2x05 n SER 468 Cb 0.62 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.97 2x05 n SER 468 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2x05 h ASP 469 N 0.00 0.13 -3.31 -3.46 5.19 -1.94 0.51 116.42 113.54 2x05 h ASP 469 Ca 0.00 -0.74 -0.64 0.00 -0.62 0.00 0.00 57.03 55.03 2x05 h ASP 469 Cb 0.00 -0.04 -0.21 0.00 0.18 0.00 0.00 39.33 39.26 2x05 h ASP 469 CO 0.00 0.86 -0.66 -0.36 -3.12 0.00 0.00 179.24 175.96 2x05 s PHE 470 N -3.25 3.04 0.58 4.55 0.08 -1.26 -4.51 117.98 117.21 2x05 s PHE 470 Ca -0.16 -0.25 -0.19 0.00 0.12 0.00 0.00 56.93 56.44 2x05 s PHE 470 Cb 0.00 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 2x05 s PHE 470 CO 0.72 -0.00 1.18 0.00 -0.10 0.00 0.00 175.22 177.02 2x05 s ALA 471 N 0.31 2.57 0.76 5.36 0.00 -1.26 -4.51 121.76 124.99 2x05 s ALA 471 Ca -0.03 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 2x05 s ALA 471 Cb -0.14 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.61 2x05 s ALA 471 CO 0.03 -1.08 1.09 -1.25 0.00 0.00 0.00 175.76 174.55 2x05 s PRO 472 N -3.36 2.32 1.02 0.00 0.04 -1.26 -4.93 135.00 128.83 2x05 s PRO 472 Ca 0.76 1.18 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 2x05 s PRO 472 Cb -0.28 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.59 2x05 s PRO 472 CO 0.32 -1.60 1.32 0.16 0.04 0.00 0.00 177.00 177.24 2x05 s ASP 473 N -3.35 2.55 0.22 6.66 1.47 -1.26 -4.43 116.67 118.53 2x05 s ASP 473 Ca 0.61 0.23 -0.05 0.00 1.18 0.00 0.00 52.55 54.52 2x05 s ASP 473 Cb -0.17 -0.21 0.20 0.00 -0.34 0.00 0.00 42.92 42.39 2x05 s ASP 473 CO 0.55 -3.08 1.69 -0.09 0.68 0.00 0.00 175.17 174.92 2x05 h ARG 474 N -1.88 0.91 0.04 2.11 2.43 -1.98 0.41 114.38 116.41 2x05 h ARG 474 Ca -0.44 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.45 2x05 h ARG 474 Cb 1.23 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2x05 h ARG 474 CO 0.32 0.93 -0.02 -0.09 -1.51 0.00 0.00 179.97 179.60 2x05 h ARG 475 N 0.83 -0.05 -0.32 0.20 2.43 -1.99 -1.28 114.38 114.20 2x05 h ARG 475 Ca 0.15 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2x05 h ARG 475 Cb 0.54 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2x05 h ARG 475 CO 0.03 0.30 0.10 0.82 -1.51 0.00 0.00 179.97 179.71 2x05 h ILE 476 N -0.40 1.21 -0.93 1.20 2.04 -1.92 -1.94 117.51 116.77 2x05 h ILE 476 Ca -0.01 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.26 2x05 h ILE 476 Cb 0.37 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 2x05 h ILE 476 CO 0.01 0.23 0.58 -0.08 0.00 0.00 0.00 178.15 178.89 2x05 h GLU 477 N 0.36 1.01 -0.48 2.37 4.81 -0.92 -1.00 114.58 120.71 2x05 h GLU 477 Ca 0.10 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2x05 h GLU 477 Cb 0.25 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2x05 h GLU 477 CO -0.00 0.67 0.07 0.37 -0.73 0.00 0.00 179.01 179.38 2x05 h GLN 478 N 1.04 0.76 -0.54 1.92 5.75 -0.97 0.18 115.11 123.25 2x05 h GLN 478 Ca 0.41 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2x05 h GLN 478 Cb 0.23 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2x05 h GLN 478 CO -0.19 0.73 0.33 0.78 -2.65 0.00 0.00 178.83 177.83 2x05 h GLY 479 N 0.95 0.77 0.81 2.39 0.00 -0.49 -0.38 103.07 107.12 2x05 h GLY 479 Ca 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 2x05 h GLY 479 CO 0.01 0.30 -0.05 -0.97 0.00 0.00 0.00 176.54 175.83 2x05 h TYR 480 N 0.72 0.45 -0.80 5.60 0.05 -0.47 -2.02 116.97 120.50 2x05 h TYR 480 Ca 0.19 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2x05 h TYR 480 Cb -0.03 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 2x05 h TYR 480 CO -0.03 0.64 0.45 -0.07 -1.05 0.00 0.00 178.16 178.10 2x05 h LEU 481 N 0.13 0.99 -0.31 3.88 3.38 -0.91 -1.30 115.31 121.18 2x05 h LEU 481 Ca 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2x05 h LEU 481 Cb 0.50 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2x05 h LEU 481 CO 0.02 0.80 0.12 0.44 0.09 0.00 0.00 178.44 179.91 2x05 h ASP 482 N 1.11 0.42 0.06 -0.43 3.32 -1.07 -0.42 116.42 119.40 2x05 h ASP 482 Ca 0.28 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.18 2x05 h ASP 482 Cb 0.02 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2x05 h ASP 482 CO -0.05 0.47 -0.16 0.00 -1.72 0.00 0.00 179.24 177.78 2x05 h ALA 483 N 0.96 -0.24 -0.10 3.45 0.00 -1.08 -1.12 119.26 121.14 2x05 h ALA 483 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2x05 h ALA 483 Cb 0.18 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2x05 h ALA 483 CO -0.01 -0.67 0.03 0.52 0.00 0.00 0.00 179.25 179.12 2x05 h MET 484 N -0.30 0.08 -0.71 0.00 2.86 -1.15 -1.67 114.93 114.03 2x05 h MET 484 Ca 0.03 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.83 2x05 h MET 484 Cb 0.34 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.87 2x05 h MET 484 CO -0.12 0.05 0.09 -0.22 1.06 0.00 0.00 176.91 177.77 2x05 h LYS 485 N 0.08 0.18 0.00 1.72 3.64 -0.92 0.76 116.57 122.03 2x05 h LYS 485 Ca 0.04 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2x05 h LYS 485 Cb 0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2x05 h LYS 485 CO -0.04 0.12 -0.19 0.00 -2.27 0.00 0.00 179.45 177.06 2x05 h ALA 486 N 1.63 1.25 -0.16 5.00 0.00 -0.54 -2.26 119.26 124.17 2x05 h ALA 486 Ca 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2x05 h ALA 486 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2x05 h ALA 486 CO -0.56 0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.93 2x05 n ALA 487 N -2.31 2.50 -2.72 0.00 0.00 0.15 -4.93 120.51 113.20 2x05 n ALA 487 Ca -0.01 -0.64 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 2x05 n ALA 487 Cb 0.31 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2x05 n ALA 487 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2x05 n ASP 488 N 0.73 -4.61 -4.62 0.00 8.00 -0.51 -4.76 116.55 110.77 2x05 n ASP 488 Ca 0.17 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 2x05 n ASP 488 Cb 0.44 -3.84 -0.02 0.00 -0.02 0.00 0.00 41.12 37.68 2x05 n ASP 488 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2x05 s PHE 489 N -2.85 2.74 -0.24 1.24 5.36 -0.76 -4.90 117.98 118.57 2x05 s PHE 489 Ca 0.13 0.84 0.14 0.00 -0.96 0.00 0.00 56.93 57.09 2x05 s PHE 489 Cb -0.07 -4.10 0.34 0.00 -0.34 0.00 0.00 43.02 38.85 2x05 s PHE 489 CO 0.16 -1.48 1.24 1.28 -1.46 0.00 0.00 175.22 174.97 2x05 n LEU 490 N 7.81 2.94 -4.89 6.12 4.77 -1.26 -4.56 117.00 127.93 2x05 n LEU 490 Ca 0.14 -2.75 -0.29 0.00 -0.03 0.00 0.00 56.01 53.07 2x05 n LEU 490 Cb 0.48 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2x05 n LEU 490 CO 0.66 0.67 0.69 -0.76 -1.33 0.00 0.00 177.39 177.32 2x05 s LEU 491 N -2.32 3.03 0.18 2.23 1.43 -1.26 -4.99 118.68 116.98 2x05 s LEU 491 Ca 0.30 1.07 -0.33 0.00 -1.03 0.00 0.00 54.13 54.13 2x05 s LEU 491 Cb 0.24 -3.90 -0.14 0.00 0.03 0.00 0.00 46.19 42.42 2x05 s LEU 491 CO 0.07 -1.21 1.47 -2.65 0.23 0.00 0.00 176.35 174.26 2x05 n PRO 492 N -2.87 1.96 -3.68 1.29 -0.02 -1.26 -4.82 135.00 125.61 2x05 n PRO 492 Ca 0.06 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 2x05 n PRO 492 Cb 0.57 -2.40 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 2x05 n PRO 492 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2x05 s VAL 493 N 0.43 4.72 -0.21 -1.45 1.01 -1.26 -1.65 120.40 121.99 2x05 s VAL 493 Ca 0.75 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 2x05 s VAL 493 Cb -0.70 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2x05 s VAL 493 CO 0.44 0.27 0.11 -0.63 0.00 0.00 0.00 175.10 175.30 2x05 s ILE 494 N 1.67 5.14 0.19 2.22 -1.09 -0.65 -4.98 121.20 123.71 2x05 s ILE 494 Ca 0.06 0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 2x05 s ILE 494 Cb -0.16 -3.36 -0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2x05 s ILE 494 CO 0.07 0.41 1.56 1.55 -1.23 0.00 0.00 174.94 177.30 2x05 h PRO 495 N 7.02 0.78 -3.70 2.79 0.13 -1.85 -0.70 132.00 136.46 2x05 h PRO 495 Ca -0.39 -0.37 -0.10 0.00 -0.87 0.00 0.00 66.00 64.27 2x05 h PRO 495 Cb 1.16 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2x05 h PRO 495 CO 0.70 1.00 -0.10 0.00 -0.23 0.00 0.00 178.00 179.37 2x05 s ALA 496 N -4.43 -0.05 -0.11 -0.56 0.00 -1.26 -2.17 121.76 113.19 2x05 s ALA 496 Ca -0.09 -1.02 0.17 0.00 0.00 0.00 0.00 51.96 51.02 2x05 s ALA 496 Cb 0.12 1.06 -0.26 0.00 0.00 0.00 0.00 23.12 24.04 2x05 s ALA 496 CO 0.85 -0.85 0.42 0.00 0.00 0.00 0.00 175.76 176.18 2x05 n ALA 497 N -0.44 2.82 -1.76 0.00 0.00 0.17 -4.79 120.51 116.52 2x05 n ALA 497 Ca -0.02 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.85 2x05 n ALA 497 Cb 0.62 -0.59 0.13 0.00 0.00 0.00 0.00 19.45 19.61 2x05 n ALA 497 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2x05 n SER 498 N -2.02 0.19 0.00 0.00 3.41 -0.89 -3.08 113.62 111.22 2x05 n SER 498 Ca -0.02 -1.40 0.09 0.00 -0.26 0.00 0.00 58.87 57.28 2x05 n SER 498 Cb 0.43 -0.67 0.54 0.00 -0.26 0.00 0.00 64.21 64.25 2x05 n SER 498 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x05 n ALA 499 N -3.51 2.47 -2.29 7.33 0.00 -1.13 -4.28 120.51 119.10 2x05 n ALA 499 Ca -0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 2x05 n ALA 499 Cb 0.40 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2x05 n ALA 499 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2x05 s ARG 500 N -2.00 4.32 0.56 0.00 0.52 -1.26 -4.65 118.95 116.45 2x05 s ARG 500 Ca 0.27 1.89 -0.14 0.00 -0.52 0.00 0.00 55.73 57.23 2x05 s ARG 500 Cb 0.13 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 2x05 s ARG 500 CO 0.21 -0.50 1.01 -1.25 0.02 0.00 0.00 175.30 174.79 2x05 s PRO 501 N 2.10 3.77 0.26 3.54 0.04 -1.26 -4.27 135.00 139.17 2x05 s PRO 501 Ca 0.61 0.88 0.06 0.00 0.04 0.00 0.00 61.00 62.59 2x05 s PRO 501 Cb -0.30 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 2x05 s PRO 501 CO 0.26 -0.43 0.32 -1.54 0.04 0.00 0.00 177.00 175.65 2x05 s SER 502 N -3.54 5.99 0.28 6.66 1.04 -0.72 -4.70 113.70 118.71 2x05 s SER 502 Ca 0.57 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.94 2x05 s SER 502 Cb -0.11 -1.62 0.42 0.00 0.10 0.00 0.00 66.02 64.81 2x05 s SER 502 CO 0.41 -0.11 1.75 -0.65 0.98 0.00 0.00 173.24 175.63 2x05 h PRO 503 N 1.25 0.56 0.00 4.02 0.11 -1.89 -2.86 132.00 133.19 2x05 h PRO 503 Ca -0.50 -0.18 -0.14 0.00 0.11 0.00 0.00 66.00 65.29 2x05 h PRO 503 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2x05 h PRO 503 CO 0.60 0.70 -1.33 -0.89 -0.21 0.00 0.00 178.00 176.88 2x05 n ILE 504 N -4.17 1.50 0.04 4.15 5.41 -1.26 -4.62 119.36 120.42 2x05 n ILE 504 Ca 0.00 0.01 -0.06 0.00 1.00 0.00 0.00 62.75 63.70 2x05 n ILE 504 Cb 0.36 -2.21 0.12 0.00 -0.71 0.00 0.00 39.64 37.20 2x05 n ILE 504 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2x05 h THR 505 N -1.00 1.33 0.00 1.39 2.02 -1.97 -3.49 112.91 111.19 2x05 h THR 505 Ca -0.21 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.23 2x05 h THR 505 Cb 1.09 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2x05 h THR 505 CO -0.13 0.53 0.00 0.61 0.37 0.00 0.00 175.52 176.90 2x05 n GLY 506 N 0.10 0.66 3.65 2.16 0.00 -1.08 -4.96 105.19 105.72 2x05 n GLY 506 Ca -0.02 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 2x05 n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 n ALA 507 N 0.58 0.67 0.07 4.61 0.00 -1.26 -1.75 120.51 123.42 2x05 n ALA 507 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 2x05 n ALA 507 Cb 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 19.45 17.14 2x05 n ALA 507 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x05 h SER 508 N 1.45 0.29 -0.33 0.00 4.64 -1.83 -3.44 113.55 114.35 2x05 h SER 508 Ca -0.47 -0.37 -0.14 0.00 -0.47 0.00 0.00 61.79 60.34 2x05 h SER 508 Cb 1.33 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.27 2x05 h SER 508 CO 0.56 1.31 -0.13 0.61 -0.87 0.00 0.00 176.83 178.31 2x05 n GLY 509 N 1.57 0.86 3.47 -0.77 0.00 -1.26 -4.70 105.19 104.36 2x05 n GLY 509 Ca -0.11 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 2x05 n GLY 509 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x05 s MET 510 N -2.23 1.89 -0.05 1.61 -1.94 -1.26 -0.60 119.30 116.72 2x05 s MET 510 Ca 0.00 -2.15 -0.10 0.00 -1.71 0.00 0.00 55.69 51.74 2x05 s MET 510 Cb 0.00 -0.45 0.02 0.00 2.01 0.00 0.00 34.83 36.40 2x05 s MET 510 CO 0.00 -0.50 0.23 -1.59 -0.01 0.00 0.00 175.02 173.15 2x05 s LYS 511 N -3.68 0.44 -0.56 2.03 -2.85 -0.98 -2.86 119.74 111.29 2x05 s LYS 511 Ca 0.26 0.01 0.07 0.00 -1.00 0.00 0.00 55.97 55.31 2x05 s LYS 511 Cb 0.03 0.20 0.25 0.00 -2.06 0.00 0.00 37.83 36.24 2x05 s LYS 511 CO 0.16 -0.09 0.67 -0.12 0.10 0.00 0.00 175.35 176.07 2x05 n MET 512 N 2.13 1.92 -0.29 1.78 1.56 -1.24 -3.16 117.12 119.83 2x05 n MET 512 Ca -0.18 -4.19 0.11 0.00 -0.27 0.00 0.00 57.70 53.17 2x05 n MET 512 Cb 0.57 -1.91 0.28 0.00 2.15 0.00 0.00 33.22 34.31 2x05 n MET 512 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2x05 n ASN 513 N 1.04 3.41 -0.42 6.12 3.02 -1.26 -4.94 115.26 122.23 2x05 n ASN 513 Ca 0.27 -1.98 0.03 0.00 -0.03 0.00 0.00 54.58 52.86 2x05 n ASN 513 Cb 0.45 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 2x05 n ASN 513 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x05 n GLY 514 N 1.52 -1.86 3.93 7.41 0.00 -1.25 -4.46 105.19 110.47 2x05 n GLY 514 Ca 0.21 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 2x05 n GLY 514 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x05 s PRO 515 N -0.56 0.96 0.00 1.61 0.04 -1.26 -2.96 135.00 132.82 2x05 s PRO 515 Ca 0.00 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.69 2x05 s PRO 515 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2x05 s PRO 515 CO 0.00 -2.20 0.19 0.66 0.04 0.00 0.00 177.00 175.69 2x05 n TYR 516 N -3.63 0.00 -4.04 0.56 4.01 -0.19 -2.77 117.16 111.10 2x05 n TYR 516 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 2x05 n TYR 516 Cb 0.60 0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.60 2x05 n TYR 516 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2x05 n ASP 517 N 0.00 -0.94 -4.65 7.72 4.64 -0.89 -3.34 116.55 119.09 2x05 n ASP 517 Ca 0.00 -2.60 -0.49 0.00 -1.38 0.00 0.00 54.79 50.32 2x05 n ASP 517 Cb 0.36 1.84 -0.05 0.00 -1.04 0.00 0.00 41.12 42.23 2x05 n ASP 517 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2x05 n TYR 518 N -0.48 2.01 -4.00 -0.67 9.36 -1.03 -4.36 117.16 117.99 2x05 n TYR 518 Ca 0.02 0.38 -0.09 0.00 3.32 0.00 0.00 57.90 61.53 2x05 n TYR 518 Cb 0.48 -2.48 -0.11 0.00 -0.63 0.00 0.00 39.34 36.60 2x05 n TYR 518 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2x05 s VAL 519 N 1.30 0.18 0.74 2.97 -7.23 -1.26 -4.49 120.40 112.60 2x05 s VAL 519 Ca 0.84 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 59.88 2x05 s VAL 519 Cb -0.80 -0.42 0.04 0.00 0.56 0.00 0.00 36.38 35.76 2x05 s VAL 519 CO 0.44 -0.53 1.12 -2.16 -0.31 0.00 0.00 175.10 173.66 2x05 s PRO 520 N -1.71 2.55 0.23 4.82 0.04 -1.26 -4.95 135.00 134.72 2x05 s PRO 520 Ca -0.13 0.32 -0.09 0.00 0.04 0.00 0.00 61.00 61.14 2x05 s PRO 520 Cb -0.08 -2.01 0.37 0.00 0.04 0.00 0.00 34.50 32.82 2x05 s PRO 520 CO -0.02 -1.22 1.65 -1.35 0.04 0.00 0.00 177.00 176.11 2x05 h PRO 521 N -0.77 0.12 0.00 0.56 0.11 -1.91 -2.27 132.00 127.84 2x05 h PRO 521 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2x05 h PRO 521 Cb 1.28 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2x05 h PRO 521 CO 0.64 0.08 -0.04 -0.24 -0.21 0.00 0.00 178.00 178.23 2x05 h VAL 522 N 0.12 0.20 -0.83 3.15 3.04 -1.92 -2.06 116.25 117.95 2x05 h VAL 522 Ca 0.37 -0.35 0.17 0.00 -1.01 0.00 0.00 66.70 65.88 2x05 h VAL 522 Cb 0.62 1.28 -0.11 0.00 -2.01 0.00 0.00 31.29 31.08 2x05 h VAL 522 CO -0.58 0.04 0.36 0.22 -1.01 0.00 0.00 177.57 176.60 2x05 h TYR 523 N 0.00 0.62 -0.17 3.17 3.20 -1.78 -1.23 116.97 120.78 2x05 h TYR 523 Ca -0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2x05 h TYR 523 Cb 0.28 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2x05 h TYR 523 CO 0.00 0.05 0.03 -1.49 -1.64 0.00 0.00 178.16 175.11 2x05 h TRP 524 N 0.47 0.23 0.00 -3.82 4.06 -1.54 -1.84 115.95 113.51 2x05 h TRP 524 Ca 0.48 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.42 2x05 h TRP 524 Cb 0.78 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 2x05 h TRP 524 CO -0.14 0.22 0.00 0.66 -3.56 0.00 0.00 178.44 175.62 2x05 n TYR 525 N -4.43 0.00 -2.64 0.49 4.01 -0.46 -1.23 117.16 112.90 2x05 n TYR 525 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2x05 n TYR 525 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2x05 n TYR 525 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2x05 s ASP 526 N -1.74 7.37 0.00 7.72 2.15 -0.69 -4.83 116.67 126.65 2x05 s ASP 526 Ca 0.22 1.85 0.00 0.00 0.43 0.00 0.00 52.55 55.04 2x05 s ASP 526 Cb 0.10 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2x05 s ASP 526 CO 0.17 -0.20 0.35 0.29 -0.17 0.00 0.00 175.17 175.61 2x05 n LYS 527 N 3.13 0.22 0.04 4.34 5.02 -1.26 -3.14 118.16 126.51 2x05 n LYS 527 Ca 0.04 -0.35 -0.08 0.00 -2.02 0.00 0.00 58.31 55.90 2x05 n LYS 527 Cb 0.49 -0.84 -0.13 0.00 -0.02 0.00 0.00 35.03 34.53 2x05 n LYS 527 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2x05 h SER 528 N 0.00 0.02 -3.42 4.39 4.64 -1.99 -3.43 113.55 113.75 2x05 h SER 528 Ca 0.00 -0.02 -0.72 0.00 -0.47 0.00 0.00 61.79 60.58 2x05 h SER 528 Cb 0.07 -0.01 -0.25 0.00 -0.31 0.00 0.00 62.40 61.90 2x05 h SER 528 CO 0.00 1.02 -0.43 -1.10 -0.87 0.00 0.00 176.83 175.45 2x05 s GLN 529 N -2.68 2.77 0.00 4.77 -1.52 -1.26 -4.95 119.66 116.78 2x05 s GLN 529 Ca -0.00 -1.36 0.28 0.00 -1.95 0.00 0.00 55.36 52.33 2x05 s GLN 529 Cb 0.09 -3.90 1.51 0.00 -0.22 0.00 0.00 33.01 30.50 2x05 s GLN 529 CO 0.82 -0.94 1.99 0.36 -0.25 0.00 0.00 175.29 177.28 2x05 n LYS 530 N 5.03 1.21 -0.34 2.91 -0.00 -1.26 -2.07 118.16 123.64 2x05 n LYS 530 Ca -0.11 -0.30 0.09 0.00 -0.00 0.00 0.00 58.31 57.99 2x05 n LYS 530 Cb 0.44 -1.46 0.27 0.00 -0.00 0.00 0.00 35.03 34.28 2x05 n LYS 530 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2x05 n ASP 531 N -0.60 3.73 -4.26 -5.58 8.00 -1.26 -5.01 116.55 111.57 2x05 n ASP 531 Ca 0.21 -2.08 -0.24 0.00 0.71 0.00 0.00 54.79 53.39 2x05 n ASP 531 Cb 0.18 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 2x05 n ASP 531 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2x05 n ARG 532 N 1.17 0.90 -1.05 -1.24 5.12 -0.88 -4.77 116.66 115.91 2x05 n ARG 532 Ca 0.21 -2.89 -0.15 0.00 -1.93 0.00 0.00 57.85 53.08 2x05 n ARG 532 Cb 0.60 0.51 0.19 0.00 -1.16 0.00 0.00 32.46 32.61 2x05 n ARG 532 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2x05 n GLY 533 N -0.21 4.62 3.44 -0.13 0.00 -1.16 -4.73 105.19 107.01 2x05 n GLY 533 Ca -0.08 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 2x05 n GLY 533 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x05 s GLY 534 N -1.78 1.51 -1.17 -0.02 0.00 -1.26 -4.82 107.32 99.78 2x05 s GLY 534 Ca 0.52 -0.30 -0.21 0.00 0.00 0.00 0.00 44.72 44.73 2x05 s GLY 534 CO 0.07 0.50 1.83 0.00 0.00 0.00 0.00 173.10 175.50 2x05 s ALA 535 N -2.40 2.34 -0.20 3.20 0.00 -0.36 -4.80 121.76 119.54 2x05 s ALA 535 Ca 0.69 -2.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 2x05 s ALA 535 Cb -0.23 -4.64 0.15 0.00 0.00 0.00 0.00 23.12 18.40 2x05 s ALA 535 CO 0.64 -4.44 1.11 1.67 0.00 0.00 0.00 175.76 174.74 2x05 s TRP 536 N 8.26 -0.26 0.00 0.00 1.48 -1.26 -4.31 118.94 122.85 2x05 s TRP 536 Ca 0.62 0.45 0.00 0.00 -1.06 0.00 0.00 56.10 56.11 2x05 s TRP 536 Cb 0.00 0.46 0.00 0.00 -1.16 0.00 0.00 33.47 32.78 2x05 s TRP 536 CO 0.08 -0.24 0.00 0.45 -4.06 0.00 0.00 176.95 173.18 2x05 n SER 537 N 0.66 -1.43 -4.16 -2.66 2.88 -0.39 -4.60 113.62 103.93 2x05 n SER 537 Ca -0.07 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.12 2x05 n SER 537 Cb 0.58 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.91 2x05 n SER 537 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2x05 s PHE 538 N 0.00 3.40 -0.84 0.66 5.36 -1.26 -0.44 117.98 124.86 2x05 s PHE 538 Ca 0.00 -2.07 -0.25 0.00 -0.96 0.00 0.00 56.93 53.64 2x05 s PHE 538 Cb 0.00 -2.55 0.03 0.00 -0.34 0.00 0.00 43.02 40.16 2x05 s PHE 538 CO 0.00 -0.86 1.45 -0.80 -1.46 0.00 0.00 175.22 173.55 2x05 s ASN 539 N 1.45 6.12 0.39 6.13 0.01 -0.06 -2.31 114.94 126.67 2x05 s ASN 539 Ca 0.00 -0.75 0.26 0.00 -0.71 0.00 0.00 52.86 51.67 2x05 s ASN 539 Cb -0.21 -2.56 0.77 0.00 0.41 0.00 0.00 41.25 39.66 2x05 s ASN 539 CO -0.02 -1.84 1.75 0.77 -1.51 0.00 0.00 177.10 176.25 2x05 h SER 540 N 10.53 0.00 -0.34 -1.22 4.64 -1.79 0.21 113.55 125.58 2x05 h SER 540 Ca -0.08 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.43 2x05 h SER 540 Cb 1.04 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.94 2x05 h SER 540 CO 1.32 0.00 -0.07 -1.83 -0.87 0.00 0.00 176.83 175.39 2x05 s GLU 541 N -3.30 0.20 -0.08 4.77 -1.05 -1.25 -4.57 118.70 113.41 2x05 s GLU 541 Ca 0.06 0.17 -0.26 0.00 -0.15 0.00 0.00 54.97 54.79 2x05 s GLU 541 Cb 0.08 0.08 0.06 0.00 -0.44 0.00 0.00 34.13 33.91 2x05 s GLU 541 CO 0.59 -0.36 0.61 -0.08 0.95 0.00 0.00 175.26 176.96 2x05 s THR 542 N 2.87 0.01 0.39 1.83 -1.32 -0.84 -4.73 115.64 113.85 2x05 s THR 542 Ca 0.25 -0.08 -0.15 0.00 -1.21 0.00 0.00 61.69 60.49 2x05 s THR 542 Cb -0.02 -0.91 0.06 0.00 -1.51 0.00 0.00 72.50 70.11 2x05 s THR 542 CO -0.23 -0.05 0.79 -0.94 -2.21 0.00 0.00 174.62 171.99 2x05 s SER 543 N -0.92 0.02 -0.23 8.08 1.04 -1.11 -1.24 113.70 119.34 2x05 s SER 543 Ca -0.09 -1.17 0.14 0.00 0.48 0.00 0.00 55.95 55.31 2x05 s SER 543 Cb -0.02 0.86 0.79 0.00 0.10 0.00 0.00 66.02 67.75 2x05 s SER 543 CO 0.07 -1.71 1.71 0.00 0.98 0.00 0.00 173.24 174.30 2x05 n ALA 544 N -0.53 3.77 0.00 5.32 0.00 -1.26 -2.93 120.51 124.87 2x05 n ALA 544 Ca -0.09 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.38 2x05 n ALA 544 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2x05 n ALA 544 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x05 n GLY 545 N 0.48 1.18 3.73 0.00 0.00 -1.21 -2.46 105.19 106.90 2x05 n GLY 545 Ca 0.27 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 2x05 n GLY 545 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x05 s VAL 546 N 0.00 2.22 -0.47 1.61 1.01 -1.26 -1.35 120.40 122.16 2x05 s VAL 546 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2x05 s VAL 546 Cb 0.00 -3.10 0.15 0.00 0.00 0.00 0.00 36.38 33.43 2x05 s VAL 546 CO 0.00 0.02 0.32 -1.81 0.00 0.00 0.00 175.10 173.62 2x05 s ASP 547 N 1.02 3.06 0.07 3.32 1.01 0.77 -4.84 116.67 121.08 2x05 s ASP 547 Ca 0.71 -2.94 -0.30 0.00 0.71 0.00 0.00 52.55 50.72 2x05 s ASP 547 Cb -0.47 -0.87 -0.10 0.00 1.01 0.00 0.00 42.92 42.49 2x05 s ASP 547 CO 0.35 -0.21 1.93 -0.63 0.21 0.00 0.00 175.17 176.82 2x05 s ILE 548 N 0.01 2.81 1.07 0.77 -1.09 -1.25 -4.10 121.20 119.43 2x05 s ILE 548 Ca 0.24 0.00 -0.18 0.00 -2.23 0.00 0.00 60.65 58.49 2x05 s ILE 548 Cb -0.11 -3.00 0.24 0.00 -1.58 0.00 0.00 42.46 38.01 2x05 s ILE 548 CO -0.09 -0.00 1.23 -2.16 -1.23 0.00 0.00 174.94 172.68 2x05 s PRO 549 N 3.86 -0.24 0.74 2.79 0.05 -1.26 -4.81 135.00 136.13 2x05 s PRO 549 Ca 0.86 -0.26 -0.15 0.00 0.05 0.00 0.00 61.00 61.50 2x05 s PRO 549 Cb -0.44 -1.73 0.04 0.00 0.05 0.00 0.00 34.50 32.42 2x05 s PRO 549 CO 0.40 -3.02 1.25 0.95 0.05 0.00 0.00 177.00 176.63 2x05 s THR 550 N -3.49 2.04 0.40 1.26 -4.23 -1.26 -4.68 115.64 105.68 2x05 s THR 550 Ca 0.73 0.02 0.17 0.00 -1.18 0.00 0.00 61.69 61.42 2x05 s THR 550 Cb -0.06 -2.69 0.38 0.00 1.34 0.00 0.00 72.50 71.47 2x05 s THR 550 CO 0.54 -0.01 1.83 -0.03 -0.54 0.00 0.00 174.62 176.42 2x05 h MET 551 N -0.25 0.43 -0.27 3.99 4.05 -1.98 -0.03 114.93 120.87 2x05 h MET 551 Ca -0.48 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 58.82 2x05 h MET 551 Cb 1.32 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2x05 h MET 551 CO 0.49 0.28 -0.20 -0.44 0.23 0.00 0.00 176.91 177.27 2x05 h ASP 552 N 0.44 0.48 -0.03 1.39 3.32 -2.00 -1.94 116.42 118.09 2x05 h ASP 552 Ca 0.50 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 2x05 h ASP 552 Cb 1.22 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2x05 h ASP 552 CO -0.22 0.69 -0.23 0.74 -1.72 0.00 0.00 179.24 178.51 2x05 h THR 553 N 0.44 1.49 -0.78 0.35 2.02 -1.52 -3.20 112.91 111.70 2x05 h THR 553 Ca 0.07 -1.78 0.11 0.00 0.77 0.00 0.00 66.41 65.58 2x05 h THR 553 Cb 0.60 2.56 -0.13 0.00 -1.74 0.00 0.00 68.15 69.44 2x05 h THR 553 CO 0.04 0.49 -0.44 -0.07 0.37 0.00 0.00 175.52 175.91 2x05 h LEU 554 N -0.40 -1.58 -2.23 2.58 3.38 -0.94 -0.32 115.31 115.80 2x05 h LEU 554 Ca -0.02 0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2x05 h LEU 554 Cb 0.92 0.75 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 2x05 h LEU 554 CO 0.05 -0.30 -0.02 0.11 0.09 0.00 0.00 178.44 178.36 2x05 h LYS 555 N -0.12 0.00 0.00 1.13 1.57 -1.45 -0.91 116.57 116.79 2x05 h LYS 555 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2x05 h LYS 555 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2x05 h LYS 555 CO -0.82 0.02 -0.53 0.00 -0.57 0.00 0.00 179.45 177.55 2x05 h ARG 556 N 0.00 0.00 0.00 3.15 3.08 -1.08 -3.40 114.38 116.13 2x05 h ARG 556 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x05 h ARG 556 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2x05 h ARG 556 CO 0.00 0.00 -0.97 0.00 -1.07 0.00 0.00 179.97 177.94 2x05 n MET 557 N -2.77 2.02 -3.88 0.04 0.00 -0.43 -4.51 117.12 107.59 2x05 n MET 557 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 57.70 57.57 2x05 n MET 557 Cb 0.53 -1.11 -0.10 0.00 0.00 0.00 0.00 33.22 32.54 2x05 n MET 557 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2x05 s MET 558 N -2.34 0.48 0.78 3.17 -1.94 -0.70 -0.78 119.30 117.97 2x05 s MET 558 Ca 0.00 -0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 53.43 2x05 s MET 558 Cb 0.07 0.19 0.06 0.00 2.01 0.00 0.00 34.83 37.17 2x05 s MET 558 CO 0.43 -0.11 1.09 -1.54 -0.01 0.00 0.00 175.02 174.88 2x05 s SER 559 N -1.44 4.63 0.26 3.03 1.04 -1.26 -4.65 113.70 115.32 2x05 s SER 559 Ca -0.14 1.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.65 2x05 s SER 559 Cb -0.08 -2.13 0.55 0.00 0.10 0.00 0.00 66.02 64.46 2x05 s SER 559 CO 0.01 -1.89 1.74 0.00 0.98 0.00 0.00 173.24 174.08 2x05 h ALA 560 N -1.03 1.24 -0.41 5.32 0.00 -1.97 0.37 119.26 122.79 2x05 h ALA 560 Ca -0.46 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2x05 h ALA 560 Cb 1.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2x05 h ALA 560 CO 0.59 -0.18 -0.15 0.66 0.00 0.00 0.00 179.25 180.16 2x05 h SER 561 N 0.52 0.84 -0.71 0.00 4.64 -1.99 0.50 113.55 117.35 2x05 h SER 561 Ca 0.47 -0.39 0.04 0.00 -0.47 0.00 0.00 61.79 61.44 2x05 h SER 561 Cb 0.73 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.55 2x05 h SER 561 CO -0.41 1.04 0.44 -0.33 -0.87 0.00 0.00 176.83 176.69 2x05 h GLU 562 N 0.64 0.82 0.00 4.77 5.08 -1.74 -1.62 114.58 122.52 2x05 h GLU 562 Ca 0.10 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 2x05 h GLU 562 Cb 0.70 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2x05 h GLU 562 CO 0.05 0.54 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.91 2x05 h LEU 563 N 0.84 0.00 -0.14 1.33 3.38 -0.75 -1.89 115.31 118.08 2x05 h LEU 563 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2x05 h LEU 563 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2x05 h LEU 563 CO -0.13 0.63 0.04 -0.78 0.09 0.00 0.00 178.44 178.29 2x05 h ASP 564 N 0.00 0.20 -0.09 -0.43 3.58 -0.48 -3.01 116.42 116.20 2x05 h ASP 564 Ca -0.01 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.23 2x05 h ASP 564 Cb 1.12 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 2x05 h ASP 564 CO 0.08 0.36 0.05 0.74 -2.88 0.00 0.00 179.24 177.60 2x05 h THR 565 N 0.03 1.06 -0.65 2.25 2.02 -1.21 -1.33 112.91 115.08 2x05 h THR 565 Ca 0.04 -0.17 0.13 0.00 0.77 0.00 0.00 66.41 67.18 2x05 h THR 565 Cb 0.24 1.01 -0.13 0.00 -1.74 0.00 0.00 68.15 67.53 2x05 h THR 565 CO -0.00 0.06 -0.23 -0.03 0.37 0.00 0.00 175.52 175.69 2x05 h MET 566 N 0.08 -0.05 0.13 6.66 1.85 -1.32 0.91 114.93 123.20 2x05 h MET 566 Ca 0.03 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.84 2x05 h MET 566 Cb 0.04 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.09 2x05 h MET 566 CO -0.01 -0.04 -1.35 0.11 -0.40 0.00 0.00 176.91 175.23 2x05 h TRP 567 N -0.06 0.52 -0.20 1.39 5.08 -1.39 -3.19 115.95 118.11 2x05 h TRP 567 Ca 0.30 -0.38 -0.18 0.00 1.08 0.00 0.00 58.89 59.71 2x05 h TRP 567 Cb 0.52 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2x05 h TRP 567 CO -0.58 1.33 -0.59 0.87 -1.28 0.00 0.00 178.44 178.20 2x05 h LYS 568 N 0.08 0.75 -2.46 0.12 1.57 -0.91 -3.40 116.57 112.31 2x05 h LYS 568 Ca -0.18 -0.54 -0.59 0.00 -1.87 0.00 0.00 60.65 57.47 2x05 h LYS 568 Cb 2.00 0.09 -0.40 0.00 0.08 0.00 0.00 32.23 34.00 2x05 h LYS 568 CO 0.20 1.16 -0.85 -1.71 -0.57 0.00 0.00 179.45 177.67 2x05 n ASN 569 N -4.07 1.03 0.30 0.86 5.15 0.31 -4.95 115.26 113.89 2x05 n ASN 569 Ca -0.06 -2.77 0.19 0.00 -0.60 0.00 0.00 54.58 51.33 2x05 n ASN 569 Cb 0.64 -0.63 1.00 0.00 -0.53 0.00 0.00 39.78 40.26 2x05 n ASN 569 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2x05 h PRO 570 N 5.09 0.00 0.00 1.20 0.11 -1.70 -0.34 132.00 136.36 2x05 h PRO 570 Ca 0.19 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 2x05 h PRO 570 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2x05 h PRO 570 CO 0.53 0.00 -0.18 0.77 -0.21 0.00 0.00 178.00 178.91 2x05 h SER 571 N 0.00 0.00 -4.07 -2.05 0.02 -1.89 0.99 113.55 106.55 2x05 h SER 571 Ca 0.02 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.48 2x05 h SER 571 Cb 0.21 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.81 2x05 h SER 571 CO -0.00 0.18 0.43 0.00 -1.14 0.00 0.00 176.83 176.30 2x05 s ALA 572 N -3.97 2.77 0.29 3.77 0.00 -0.14 -4.68 121.76 119.81 2x05 s ALA 572 Ca -0.01 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 2x05 s ALA 572 Cb 0.12 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 2x05 s ALA 572 CO 0.61 -0.65 1.33 0.15 0.00 0.00 0.00 175.76 177.21 2x05 s LYS 573 N -3.20 4.35 -0.15 0.00 1.02 -1.26 -4.27 119.74 116.22 2x05 s LYS 573 Ca 0.70 2.21 0.02 0.00 0.02 0.00 0.00 55.97 58.92 2x05 s LYS 573 Cb -0.23 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2x05 s LYS 573 CO 0.26 -0.24 -0.21 -0.65 -0.92 0.00 0.00 175.35 173.59 2x05 s GLN 574 N -1.24 2.94 0.49 1.68 -1.52 -0.52 -4.99 119.66 116.51 2x05 s GLN 574 Ca 0.52 -0.82 0.14 0.00 -1.95 0.00 0.00 55.36 53.25 2x05 s GLN 574 Cb -0.40 -2.45 1.16 0.00 -0.22 0.00 0.00 33.01 31.10 2x05 s GLN 574 CO 0.48 -0.10 2.11 -0.92 -0.25 0.00 0.00 175.29 176.62 2x05 h TYR 575 N 7.59 0.15 -0.22 0.91 3.20 -1.91 -2.41 116.97 124.28 2x05 h TYR 575 Ca -0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 2x05 h TYR 575 Cb 1.17 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2x05 h TYR 575 CO 0.47 0.10 0.00 0.72 -1.64 0.00 0.00 178.16 177.81 2x05 n HIS 576 N -4.51 0.28 0.00 -3.82 8.25 -1.26 -4.26 115.22 109.89 2x05 n HIS 576 Ca -0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2x05 n HIS 576 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2x05 n HIS 576 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2x05 n ARG 577 N 0.40 0.00 -3.78 -0.41 3.00 -0.91 -1.88 116.66 113.08 2x05 n ARG 577 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.88 2x05 n ARG 577 Cb 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.69 2x05 n ARG 577 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2x05 s SER 578 N -1.00 -0.21 0.49 6.15 0.15 -1.15 -4.46 113.70 113.67 2x05 s SER 578 Ca 0.00 0.25 0.23 0.00 0.70 0.00 0.00 55.95 57.12 2x05 s SER 578 Cb 0.00 0.41 1.28 0.00 -1.71 0.00 0.00 66.02 66.00 2x05 s SER 578 CO 0.00 -0.30 2.03 0.77 1.20 0.00 0.00 173.24 176.94 2x05 h SER 579 N 4.64 0.00 -3.50 5.45 4.64 -1.63 -3.39 113.55 119.76 2x05 h SER 579 Ca -0.28 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.51 2x05 h SER 579 Cb 1.18 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.32 2x05 h SER 579 CO 0.37 0.15 0.68 -0.55 -0.87 0.00 0.00 176.83 176.61 2x05 s SER 580 N -6.44 6.79 0.41 4.97 0.15 -1.26 -4.92 113.70 113.40 2x05 s SER 580 Ca -0.03 2.56 0.12 0.00 0.70 0.00 0.00 55.95 59.30 2x05 s SER 580 Cb 0.14 -2.62 0.86 0.00 -1.71 0.00 0.00 66.02 62.69 2x05 s SER 580 CO 0.62 -0.58 1.92 0.44 1.20 0.00 0.00 173.24 176.85 2x05 h ASP 581 N 4.77 0.06 -0.70 5.45 3.32 -1.98 -1.64 116.42 125.70 2x05 h ASP 581 Ca -0.46 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 2x05 h ASP 581 Cb 1.22 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 2x05 h ASP 581 CO 0.74 0.29 0.14 0.74 -1.72 0.00 0.00 179.24 179.44 2x05 h THR 582 N 0.06 1.26 -0.86 0.35 2.02 -1.95 -3.17 112.91 110.63 2x05 h THR 582 Ca 0.01 -1.01 -0.58 0.00 0.77 0.00 0.00 66.41 65.60 2x05 h THR 582 Cb 0.43 0.57 -0.40 0.00 -1.74 0.00 0.00 68.15 67.01 2x05 h THR 582 CO 0.03 0.38 -0.49 0.49 0.37 0.00 0.00 175.52 176.30 2x05 n PHE 583 N -4.22 2.88 0.04 3.16 3.72 -0.96 -4.71 117.46 117.37 2x05 n PHE 583 Ca 0.05 -2.42 -0.03 0.00 -0.05 0.00 0.00 57.45 55.00 2x05 n PHE 583 Cb 0.28 -0.53 -0.09 0.00 -0.94 0.00 0.00 39.48 38.20 2x05 n PHE 583 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2x05 h GLY 584 N 2.18 0.00 -0.95 1.37 0.00 -1.28 -3.04 103.07 101.35 2x05 h GLY 584 Ca 0.41 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.25 2x05 h GLY 584 CO 0.92 0.00 -0.41 1.16 0.00 0.00 0.00 176.54 178.21 2x05 n ASN 585 N -3.06 1.09 -1.14 0.19 0.23 -1.26 -1.44 115.26 109.87 2x05 n ASN 585 Ca -0.08 -2.92 -0.04 0.00 -0.53 0.00 0.00 54.58 51.02 2x05 n ASN 585 Cb 0.89 0.94 0.20 0.00 -2.08 0.00 0.00 39.78 39.74 2x05 n ASN 585 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2x05 n LEU 586 N 0.00 4.06 -0.04 -4.53 4.77 0.33 -4.84 117.00 116.75 2x05 n LEU 586 Ca -0.04 -3.78 -0.11 0.00 -0.03 0.00 0.00 56.01 52.05 2x05 n LEU 586 Cb 0.54 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 2x05 n LEU 586 CO 0.28 1.27 0.87 0.50 -1.33 0.00 0.00 177.39 178.98 2x05 h LYS 587 N 1.01 0.25 -0.56 3.23 3.64 -1.84 0.45 116.57 122.76 2x05 h LYS 587 Ca 0.21 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2x05 h LYS 587 Cb 1.63 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 2x05 h LYS 587 CO 0.37 0.29 0.05 -0.07 -2.27 0.00 0.00 179.45 177.82 2x05 h LEU 588 N 0.15 0.93 0.49 5.20 3.38 -1.91 0.55 115.31 124.09 2x05 h LEU 588 Ca 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2x05 h LEU 588 Cb 0.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2x05 h LEU 588 CO -0.01 0.98 -0.23 0.15 0.09 0.00 0.00 178.44 179.42 2x05 h PHE 589 N 0.85 -0.61 -0.72 1.13 3.57 -1.88 -1.86 116.94 117.42 2x05 h PHE 589 Ca 0.17 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.78 2x05 h PHE 589 Cb 0.47 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.32 2x05 h PHE 589 CO 0.03 -0.32 0.28 0.78 -2.23 0.00 0.00 178.31 176.85 2x05 h GLY 590 N -0.78 1.07 0.93 2.40 0.00 0.04 0.19 103.07 106.92 2x05 h GLY 590 Ca -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2x05 h GLY 590 CO 0.11 -0.08 0.13 -0.55 0.00 0.00 0.00 176.54 176.15 2x05 h ASP 591 N 0.43 0.35 0.49 0.19 3.32 -0.77 -1.22 116.42 119.21 2x05 h ASP 591 Ca 0.39 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.15 2x05 h ASP 591 Cb 0.57 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2x05 h ASP 591 CO -0.39 0.38 -0.74 0.00 -1.72 0.00 0.00 179.24 176.77 2x05 h ALA 592 N 0.99 0.69 0.56 3.45 0.00 -1.09 -1.71 119.26 122.16 2x05 h ALA 592 Ca 0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2x05 h ALA 592 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2x05 h ALA 592 CO -0.01 0.82 -0.37 1.25 0.00 0.00 0.00 179.25 180.94 2x05 h LEU 593 N 0.13 -0.94 -0.10 0.00 5.85 -0.34 0.16 115.31 120.08 2x05 h LEU 593 Ca -0.02 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2x05 h LEU 593 Cb 1.30 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.56 2x05 h LEU 593 CO 0.11 -0.56 -0.20 0.74 -0.34 0.00 0.00 178.44 178.19 2x05 h THR 594 N -0.89 0.51 -0.42 1.05 2.02 -1.25 -0.14 112.91 113.80 2x05 h THR 594 Ca -0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.17 2x05 h THR 594 Cb 0.73 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2x05 h THR 594 CO 0.05 0.00 0.12 0.11 0.37 0.00 0.00 175.52 176.18 2x05 h LYS 595 N -0.26 0.27 0.13 6.66 1.79 -1.19 0.17 116.57 124.13 2x05 h LYS 595 Ca 0.09 -0.02 -0.36 0.00 -2.18 0.00 0.00 60.65 58.18 2x05 h LYS 595 Cb 0.40 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2x05 h LYS 595 CO -0.26 0.18 -1.97 0.00 -1.08 0.00 0.00 179.45 176.32 2x05 h ARG 596 N 0.27 0.28 -0.00 3.15 3.08 -0.51 -3.38 114.38 117.27 2x05 h ARG 596 Ca 0.20 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2x05 h ARG 596 Cb 0.21 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2x05 h ARG 596 CO -0.22 1.23 -0.77 0.66 -1.07 0.00 0.00 179.97 179.80 2x05 n TYR 597 N -3.49 0.00 0.00 3.04 4.01 -0.08 0.03 117.16 120.66 2x05 n TYR 597 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2x05 n TYR 597 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 2x05 n TYR 597 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x05 n GLY 598 N 1.40 1.24 3.61 2.72 0.00 0.59 -4.16 105.19 110.59 2x05 n GLY 598 Ca 0.04 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 2x05 n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 n ALA 599 N 1.31 0.16 -2.61 4.61 0.00 -1.20 -4.21 120.51 118.58 2x05 n ALA 599 Ca 0.00 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 2x05 n ALA 599 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 2x05 n ALA 599 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2x05 s SER 600 N -0.91 7.04 0.29 0.00 0.01 -1.26 -4.95 113.70 113.91 2x05 s SER 600 Ca 0.67 1.24 0.21 0.00 1.31 0.00 0.00 55.95 59.39 2x05 s SER 600 Cb -0.50 -2.42 0.12 0.00 0.21 0.00 0.00 66.02 63.43 2x05 s SER 600 CO 0.54 -0.05 1.28 0.00 0.41 0.00 0.00 173.24 175.42 2x05 h ALA 601 N 6.32 0.72 -2.12 1.44 0.00 -1.92 -3.48 119.26 120.22 2x05 h ALA 601 Ca -0.42 -0.14 0.31 0.00 0.00 0.00 0.00 54.91 54.66 2x05 h ALA 601 Cb 1.20 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2x05 h ALA 601 CO 0.73 0.16 0.83 0.27 0.00 0.00 0.00 179.25 181.25 2x05 n ASN 602 N -2.92 -1.17 0.04 0.00 0.23 -1.26 -5.01 115.26 105.17 2x05 n ASN 602 Ca 0.01 -1.28 -0.11 0.00 -0.53 0.00 0.00 54.58 52.66 2x05 n ASN 602 Cb 0.59 1.82 -0.05 0.00 -2.08 0.00 0.00 39.78 40.06 2x05 n ASN 602 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2x05 h LEU 603 N 0.00 -0.21 -0.71 -4.53 5.85 -1.94 0.45 115.31 114.22 2x05 h LEU 603 Ca -0.20 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.64 2x05 h LEU 603 Cb 1.10 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 2x05 h LEU 603 CO 0.29 -0.10 0.36 0.78 -0.34 0.00 0.00 178.44 179.43 2x05 h ASN 604 N -0.12 0.49 -0.13 1.25 2.35 -1.99 0.72 115.58 118.15 2x05 h ASN 604 Ca 0.03 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2x05 h ASN 604 Cb 0.16 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2x05 h ASN 604 CO -0.09 0.28 0.08 -0.78 -1.65 0.00 0.00 177.43 175.27 2x05 h ASP 605 N 0.62 0.16 -0.54 5.81 3.58 -1.79 0.15 116.42 124.42 2x05 h ASP 605 Ca 0.35 -0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.79 2x05 h ASP 605 Cb 0.34 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 2x05 h ASP 605 CO -0.25 0.18 0.23 0.15 -2.88 0.00 0.00 179.24 176.67 2x05 h PHE 606 N 0.13 0.42 -0.05 0.28 3.57 -0.07 -2.00 116.94 119.22 2x05 h PHE 606 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2x05 h PHE 606 Cb 0.05 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2x05 h PHE 606 CO -0.05 0.17 -0.03 0.28 -2.23 0.00 0.00 178.31 176.45 2x05 h VAL 607 N 0.44 1.34 -0.48 1.41 2.07 -0.59 0.70 116.25 121.15 2x05 h VAL 607 Ca 0.25 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.78 2x05 h VAL 607 Cb 0.23 1.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 2x05 h VAL 607 CO -0.22 0.30 0.01 0.08 0.02 0.00 0.00 177.57 177.76 2x05 h ARG 608 N -0.30 0.12 -0.34 1.57 0.11 -0.90 -0.89 114.38 113.75 2x05 h ARG 608 Ca 0.01 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 59.98 2x05 h ARG 608 Cb 0.49 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 2x05 h ARG 608 CO 0.01 0.08 -0.22 0.87 0.10 0.00 0.00 179.97 180.81 2x05 h LYS 609 N 0.13 0.67 -0.66 0.08 1.57 -1.29 -2.62 116.57 114.44 2x05 h LYS 609 Ca 0.24 -0.26 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2x05 h LYS 609 Cb 0.35 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 2x05 h LYS 609 CO -0.39 0.84 0.33 0.00 -0.57 0.00 0.00 179.45 179.66 2x05 h ALA 610 N 1.16 0.89 -0.13 3.86 0.00 0.18 -0.43 119.26 124.78 2x05 h ALA 610 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2x05 h ALA 610 Cb 0.70 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2x05 h ALA 610 CO 0.05 -0.04 -0.04 1.96 0.00 0.00 0.00 179.25 181.17 2x05 h GLN 611 N 0.59 0.27 -0.48 0.00 1.08 -0.97 -1.41 115.11 114.18 2x05 h GLN 611 Ca 0.31 -0.11 0.09 0.00 -1.45 0.00 0.00 58.65 57.50 2x05 h GLN 611 Cb 0.29 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 2x05 h GLN 611 CO -0.24 0.58 0.03 -0.07 -0.95 0.00 0.00 178.83 178.18 2x05 h LEU 612 N -0.06 -0.14 -0.89 1.46 3.38 -1.22 -0.23 115.31 117.62 2x05 h LEU 612 Ca 0.03 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2x05 h LEU 612 Cb 0.48 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2x05 h LEU 612 CO 0.02 -0.04 0.57 -1.28 0.09 0.00 0.00 178.44 177.80 2x05 h SER 613 N 0.15 1.03 -0.17 -0.43 0.87 -0.89 -1.55 113.55 112.57 2x05 h SER 613 Ca 0.24 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 2x05 h SER 613 Cb 0.35 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2x05 h SER 613 CO -0.37 0.76 -0.56 1.56 -0.53 0.00 0.00 176.83 177.69 2x05 h GLN 614 N 1.21 0.68 0.23 2.24 4.20 -0.79 -0.62 115.11 122.26 2x05 h GLN 614 Ca 0.32 -0.50 0.01 0.00 0.06 0.00 0.00 58.65 58.53 2x05 h GLN 614 Cb -0.11 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2x05 h GLN 614 CO -0.07 1.12 -0.27 -0.92 -0.67 0.00 0.00 178.83 178.03 2x05 h TYR 615 N 0.37 -0.72 -0.85 2.96 3.20 -0.71 0.29 116.97 121.51 2x05 h TYR 615 Ca -0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.87 2x05 h TYR 615 Cb 1.18 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.70 2x05 h TYR 615 CO 0.09 -0.39 0.56 1.49 -1.64 0.00 0.00 178.16 178.27 2x05 h GLU 616 N -0.55 1.09 -0.00 1.82 4.81 -1.26 0.10 114.58 120.59 2x05 h GLU 616 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2x05 h GLU 616 Cb 0.52 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2x05 h GLU 616 CO -0.08 0.72 -0.04 -0.97 -0.73 0.00 0.00 179.01 177.91 2x05 h ASN 617 N 1.12 0.04 -0.56 1.04 -0.73 -0.94 -2.67 115.58 112.87 2x05 h ASN 617 Ca 0.32 -0.71 -0.09 0.00 1.87 0.00 0.00 56.30 57.69 2x05 h ASN 617 Cb -0.08 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 2x05 h ASN 617 CO -0.09 0.75 -0.01 0.58 -0.37 0.00 0.00 177.43 178.29 2x05 h VAL 618 N -0.66 1.26 -0.23 2.57 2.07 -0.90 -1.80 116.25 118.56 2x05 h VAL 618 Ca -0.00 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.43 2x05 h VAL 618 Cb 0.75 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2x05 h VAL 618 CO 0.01 0.41 -0.19 -0.09 0.02 0.00 0.00 177.57 177.73 2x05 h ARG 619 N 0.93 -0.19 -0.00 1.57 2.43 -1.05 -1.98 114.38 116.10 2x05 h ARG 619 Ca 0.17 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2x05 h ARG 619 Cb 0.55 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2x05 h ARG 619 CO 0.03 -0.13 -0.34 0.00 -1.51 0.00 0.00 179.97 178.02 2x05 h ALA 620 N 0.91 1.43 -0.42 2.80 0.00 -1.15 -1.13 119.26 121.70 2x05 h ALA 620 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2x05 h ALA 620 Cb 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2x05 h ALA 620 CO -0.35 0.43 0.10 1.49 0.00 0.00 0.00 179.25 180.93 2x05 h GLU 621 N 0.00 0.67 0.05 0.00 4.81 -0.59 -2.12 114.58 117.40 2x05 h GLU 621 Ca -0.00 -0.16 -0.19 0.00 -0.13 0.00 0.00 59.36 58.88 2x05 h GLU 621 Cb 0.61 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.92 2x05 h GLU 621 CO 0.04 0.68 -0.77 0.74 -0.73 0.00 0.00 179.01 178.97 2x05 h PHE 622 N 0.54 0.68 -0.17 0.92 0.04 -1.30 -3.23 116.94 114.42 2x05 h PHE 622 Ca 0.13 -0.41 0.02 0.00 2.80 0.00 0.00 57.97 60.51 2x05 h PHE 622 Cb 0.31 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2x05 h PHE 622 CO 0.02 1.25 0.06 0.93 -0.60 0.00 0.00 178.31 179.97 2x05 h GLU 623 N -0.09 0.13 -0.62 1.51 5.08 -1.13 0.18 114.58 119.65 2x05 h GLU 623 Ca -0.11 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2x05 h GLU 623 Cb 1.50 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.63 2x05 h GLU 623 CO 0.15 0.09 0.07 0.66 -1.00 0.00 0.00 179.01 178.98 2x05 h SER 624 N 0.14 -0.13 -0.29 1.42 4.64 -1.53 0.29 113.55 118.08 2x05 h SER 624 Ca 0.07 0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.40 2x05 h SER 624 Cb 0.04 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2x05 h SER 624 CO -0.07 -0.06 -0.28 0.45 -0.87 0.00 0.00 176.83 176.00 2x05 h HIS 625 N 0.19 0.92 -0.71 4.77 3.86 -1.26 -1.63 115.15 121.28 2x05 h HIS 625 Ca 0.33 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2x05 h HIS 625 Cb 0.52 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 2x05 h HIS 625 CO -0.31 0.98 0.40 0.77 0.86 0.00 0.00 177.93 180.63 2x05 h SER 626 N 0.68 0.88 -0.26 2.45 0.02 0.19 -2.78 113.55 114.73 2x05 h SER 626 Ca 0.08 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2x05 h SER 626 Cb 0.81 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2x05 h SER 626 CO 0.07 0.72 0.04 -0.09 -1.14 0.00 0.00 176.83 176.43 2x05 h ARG 627 N 0.98 0.42 0.00 3.45 2.43 -0.13 -3.19 114.38 118.34 2x05 h ARG 627 Ca 0.25 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2x05 h ARG 627 Cb 0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2x05 h ARG 627 CO -0.04 0.55 0.00 0.09 -1.51 0.00 0.00 179.97 179.05 2x05 n ASN 628 N -4.68 0.00 -0.00 -3.80 4.13 -0.64 -3.65 115.26 106.62 2x05 n ASN 628 Ca -0.03 0.17 0.21 0.00 1.68 0.00 0.00 54.58 56.60 2x05 n ASN 628 Cb 0.20 -0.39 0.70 0.00 -1.54 0.00 0.00 39.78 38.75 2x05 n ASN 628 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2x05 h TYR 629 N 0.00 0.00 -0.51 3.10 3.20 -1.48 -1.87 116.97 119.41 2x05 h TYR 629 Ca 0.00 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 2x05 h TYR 629 Cb 0.39 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 2x05 h TYR 629 CO 0.00 0.00 0.10 0.25 -1.64 0.00 0.00 178.16 176.87 2x05 n THR 630 N -4.32 2.66 -2.38 1.81 -2.24 -1.24 -4.62 114.28 103.95 2x05 n THR 630 Ca 0.10 -1.83 -0.41 0.00 -2.27 0.00 0.00 64.05 59.63 2x05 n THR 630 Cb 0.62 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 2x05 n THR 630 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2x05 s ASP 631 N -1.50 7.09 0.55 3.42 1.01 -0.72 -4.92 116.67 121.60 2x05 s ASP 631 Ca 0.50 2.21 0.31 0.00 0.71 0.00 0.00 52.55 56.27 2x05 s ASP 631 Cb 0.40 -2.60 1.59 0.00 1.01 0.00 0.00 42.92 43.32 2x05 s ASP 631 CO 0.11 -0.38 2.10 0.28 0.21 0.00 0.00 175.17 177.49 2x05 h SER 632 N 5.42 0.00 -3.66 0.27 0.02 -1.93 -3.34 113.55 110.34 2x05 h SER 632 Ca -0.44 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.02 2x05 h SER 632 Cb 1.21 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.43 2x05 h SER 632 CO 0.75 0.08 -0.81 -0.89 -1.14 0.00 0.00 176.83 174.83 2x05 s THR 633 N -4.08 1.04 -0.99 -2.27 2.01 -1.26 -4.84 115.64 105.26 2x05 s THR 633 Ca -0.02 -0.47 -0.24 0.00 0.31 0.00 0.00 61.69 61.27 2x05 s THR 633 Cb 0.12 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.73 2x05 s THR 633 CO 0.55 0.32 0.58 0.59 -0.69 0.00 0.00 174.62 175.97 2x05 n ASN 634 N 3.51 -3.73 -4.77 3.53 3.02 -1.26 -4.92 115.26 110.64 2x05 n ASN 634 Ca -0.20 -1.09 -0.35 0.00 -0.03 0.00 0.00 54.58 52.91 2x05 n ASN 634 Cb 0.53 -1.39 0.02 0.00 -0.61 0.00 0.00 39.78 38.33 2x05 n ASN 634 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2x05 s PRO 635 N -6.59 3.15 -0.01 3.52 0.04 -1.25 -4.28 135.00 129.57 2x05 s PRO 635 Ca 0.33 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 2x05 s PRO 635 Cb -0.19 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2x05 s PRO 635 CO 0.84 -1.01 1.45 -1.54 0.04 0.00 0.00 177.00 176.78 2x05 s SER 636 N -1.92 6.81 0.00 6.66 1.04 -1.10 -1.27 113.70 123.92 2x05 s SER 636 Ca 0.72 2.14 0.10 0.00 0.48 0.00 0.00 55.95 59.39 2x05 s SER 636 Cb -0.24 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.25 2x05 s SER 636 CO 0.31 -0.77 0.50 0.35 0.98 0.00 0.00 173.24 174.61 2x05 n THR 637 N 4.84 0.00 -3.56 2.02 -2.24 0.41 -3.96 114.28 111.79 2x05 n THR 637 Ca 0.14 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 2x05 n THR 637 Cb 0.43 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 2x05 n THR 637 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2x05 s GLY 638 N -1.73 -0.31 -0.17 3.38 0.00 -1.22 -3.05 107.32 104.22 2x05 s GLY 638 Ca 0.05 1.68 -0.06 0.00 0.00 0.00 0.00 44.72 46.39 2x05 s GLY 638 CO 0.35 0.72 0.35 -2.27 0.00 0.00 0.00 173.10 172.25 2x05 s LEU 639 N -1.75 -0.48 -0.27 0.66 2.96 -0.71 -0.88 118.68 118.22 2x05 s LEU 639 Ca 0.03 0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 2x05 s LEU 639 Cb -0.01 1.09 0.04 0.00 0.50 0.00 0.00 46.19 47.81 2x05 s LEU 639 CO -0.04 -0.23 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.08 2x05 s ILE 640 N 2.49 2.77 0.39 6.68 -1.09 0.74 -1.05 121.20 132.13 2x05 s ILE 640 Ca -0.01 -1.25 -0.26 0.00 -2.23 0.00 0.00 60.65 56.90 2x05 s ILE 640 Cb -0.12 -2.50 -0.09 0.00 -1.58 0.00 0.00 42.46 38.17 2x05 s ILE 640 CO -0.11 0.06 1.25 -0.47 -1.23 0.00 0.00 174.94 174.44 2x05 s TYR 641 N 1.26 2.96 -0.42 3.97 6.14 0.05 -1.98 117.35 129.33 2x05 s TYR 641 Ca -0.03 1.47 -0.05 0.00 0.64 0.00 0.00 57.07 59.10 2x05 s TYR 641 Cb -0.18 -3.56 0.10 0.00 0.42 0.00 0.00 41.96 38.74 2x05 s TYR 641 CO -0.04 -1.74 0.23 -0.46 0.64 0.00 0.00 175.55 174.18 2x05 s TRP 642 N -1.29 3.50 0.41 4.97 -0.11 -0.37 -1.44 118.94 124.60 2x05 s TRP 642 Ca 0.56 -2.15 0.03 0.00 1.22 0.00 0.00 56.10 55.76 2x05 s TRP 642 Cb -0.35 -3.17 -0.03 0.00 -1.50 0.00 0.00 33.47 28.41 2x05 s TRP 642 CO 0.45 -0.95 0.08 -1.64 -4.62 0.00 0.00 176.95 170.28 2x05 s MET 643 N 1.23 1.91 0.05 5.86 -1.94 -1.01 -4.21 119.30 121.20 2x05 s MET 643 Ca 0.06 -2.15 -0.24 0.00 -1.71 0.00 0.00 55.69 51.64 2x05 s MET 643 Cb -0.23 -0.88 -0.17 0.00 2.01 0.00 0.00 34.83 35.56 2x05 s MET 643 CO -0.02 -0.37 1.57 1.25 -0.01 0.00 0.00 175.02 177.43 2x05 h LEU 644 N 1.78 -0.07 -8.61 -0.03 5.85 -1.21 -2.88 115.31 110.14 2x05 h LEU 644 Ca -0.38 -0.14 -0.27 0.00 0.84 0.00 0.00 57.88 57.92 2x05 h LEU 644 Cb 1.27 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.19 2x05 h LEU 644 CO 0.64 0.10 -0.51 0.54 -0.34 0.00 0.00 178.44 178.87 2x05 s ASN 645 N -5.27 0.50 0.18 1.25 4.22 -1.24 -1.03 114.94 113.54 2x05 s ASN 645 Ca -0.14 -1.42 0.06 0.00 -2.14 0.00 0.00 52.86 49.21 2x05 s ASN 645 Cb 0.04 0.46 -0.04 0.00 1.28 0.00 0.00 41.25 43.00 2x05 s ASN 645 CO 0.65 -0.95 0.11 -0.55 -2.04 0.00 0.00 177.10 174.32 2x05 s SER 646 N -3.19 5.33 0.10 3.54 0.15 -1.26 -4.52 113.70 113.85 2x05 s SER 646 Ca 0.37 -0.22 0.20 0.00 0.70 0.00 0.00 55.95 57.00 2x05 s SER 646 Cb 0.05 -1.33 0.81 0.00 -1.71 0.00 0.00 66.02 63.84 2x05 s SER 646 CO 0.16 0.06 1.61 -2.65 1.20 0.00 0.00 173.24 173.62 2x05 n PRO 647 N -0.40 0.08 -0.86 5.44 -0.02 -1.26 -4.77 135.00 133.21 2x05 n PRO 647 Ca -0.08 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2x05 n PRO 647 Cb 0.55 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2x05 n PRO 647 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2x05 n TRP 648 N -1.81 -0.65 -2.26 6.00 4.27 -1.26 -0.01 117.44 121.73 2x05 n TRP 648 Ca 0.03 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.22 2x05 n TRP 648 Cb 0.22 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.14 2x05 n TRP 648 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 2x05 s THR 649 N -2.83 3.66 0.25 -1.67 -4.23 -1.26 -4.21 115.64 105.35 2x05 s THR 649 Ca 0.00 1.14 -0.10 0.00 -1.18 0.00 0.00 61.69 61.56 2x05 s THR 649 Cb 0.00 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 2x05 s THR 649 CO 0.00 0.05 0.42 -0.55 -0.54 0.00 0.00 174.62 174.00 2x05 s SER 650 N 1.39 0.06 0.00 3.99 0.15 -1.26 -4.83 113.70 113.20 2x05 s SER 650 Ca 0.63 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2x05 s SER 650 Cb -0.33 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2x05 s SER 650 CO 0.28 -1.11 0.67 0.18 1.20 0.00 0.00 173.24 174.46 2x05 n LEU 651 N -0.38 1.21 -3.89 3.45 4.77 -0.79 -4.56 117.00 116.81 2x05 n LEU 651 Ca -0.01 -1.21 -0.09 0.00 -0.03 0.00 0.00 56.01 54.67 2x05 n LEU 651 Cb 0.63 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 2x05 n LEU 651 CO 0.25 0.30 0.20 -1.38 -1.33 0.00 0.00 177.39 175.44 2x05 s HIS 652 N -0.44 0.15 -1.11 -1.77 -3.43 -1.26 -0.16 115.29 107.27 2x05 s HIS 652 Ca 0.00 -0.52 -0.19 0.00 -0.80 0.00 0.00 55.06 53.56 2x05 s HIS 652 Cb 0.00 0.26 -0.02 0.00 -1.43 0.00 0.00 32.58 31.40 2x05 s HIS 652 CO 0.00 -0.94 0.81 0.91 -2.00 0.00 0.00 174.74 173.52 2x05 n TRP 653 N -0.35 -2.00 -3.56 0.38 8.01 -0.45 -4.76 117.44 114.71 2x05 n TRP 653 Ca -0.06 0.52 -0.16 0.00 -1.31 0.00 0.00 57.50 56.49 2x05 n TRP 653 Cb 0.62 -3.51 -0.06 0.00 -2.01 0.00 0.00 31.31 26.35 2x05 n TRP 653 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 2x05 s GLN 654 N -5.71 0.93 -0.27 -0.99 -2.07 -1.10 -2.40 119.66 108.05 2x05 s GLN 654 Ca 0.46 0.46 -0.15 0.00 -1.82 0.00 0.00 55.36 54.32 2x05 s GLN 654 Cb -0.15 0.44 -0.13 0.00 -1.09 0.00 0.00 33.01 32.08 2x05 s GLN 654 CO 0.85 -0.24 -0.27 1.28 -1.32 0.00 0.00 175.29 175.58 2x05 n LEU 655 N 1.43 1.97 -4.59 2.60 4.77 -0.20 -4.80 117.00 118.20 2x05 n LEU 655 Ca -0.17 0.34 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 2x05 n LEU 655 Cb 0.56 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 2x05 n LEU 655 CO 0.17 0.55 -0.36 0.72 -1.33 0.00 0.00 177.39 177.13 2x05 s PHE 656 N -2.49 2.99 0.99 -1.77 -0.12 -1.10 -3.11 117.98 113.37 2x05 s PHE 656 Ca -0.37 0.00 -0.16 0.00 -0.05 0.00 0.00 56.93 56.35 2x05 s PHE 656 Cb 0.13 -1.76 0.20 0.00 -0.63 0.00 0.00 43.02 40.96 2x05 s PHE 656 CO 0.51 0.30 1.24 0.16 -0.05 0.00 0.00 175.22 177.38 2x05 s ASP 657 N -0.65 2.84 0.59 1.98 1.47 -1.11 -4.30 116.67 117.49 2x05 s ASP 657 Ca 0.10 0.48 0.30 0.00 1.18 0.00 0.00 52.55 54.61 2x05 s ASP 657 Cb -0.12 -0.67 1.79 0.00 -0.34 0.00 0.00 42.92 43.58 2x05 s ASP 657 CO 0.02 -2.92 2.20 0.00 0.68 0.00 0.00 175.17 175.15 2x05 h ALA 658 N -1.76 1.60 -0.59 2.11 0.00 -1.86 -0.30 119.26 118.45 2x05 h ALA 658 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2x05 h ALA 658 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2x05 h ALA 658 CO 0.43 -0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.23 2x05 n TYR 659 N -3.79 0.79 -1.50 0.00 4.01 -1.26 -4.93 117.16 110.47 2x05 n TYR 659 Ca -0.01 -0.39 -0.11 0.00 -0.16 0.00 0.00 57.90 57.22 2x05 n TYR 659 Cb 0.17 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 2x05 n TYR 659 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2x05 n MET 660 N 1.35 -0.78 -1.98 -0.72 2.81 -0.12 -4.74 117.12 112.94 2x05 n MET 660 Ca 0.21 0.81 -0.30 0.00 -1.81 0.00 0.00 57.70 56.61 2x05 n MET 660 Cb 0.54 -4.80 0.01 0.00 -0.71 0.00 0.00 33.22 28.26 2x05 n MET 660 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2x05 s ASP 661 N -2.81 6.12 -0.11 7.83 -1.08 -1.26 -4.61 116.67 120.75 2x05 s ASP 661 Ca 0.00 1.31 0.02 0.00 -0.52 0.00 0.00 52.55 53.35 2x05 s ASP 661 Cb 0.00 -2.35 0.01 0.00 -1.46 0.00 0.00 42.92 39.12 2x05 s ASP 661 CO 0.00 -0.90 -0.16 -1.10 0.52 0.00 0.00 175.17 173.53 2x05 s GLN 662 N -5.15 2.35 0.00 4.34 -0.21 -1.26 -2.76 119.66 116.97 2x05 s GLN 662 Ca 0.54 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 55.31 2x05 s GLN 662 Cb -0.11 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.92 2x05 s GLN 662 CO 0.52 -0.06 0.00 0.27 -2.12 0.00 0.00 175.29 173.91 2x05 n ASN 663 N 4.19 1.67 0.17 5.90 0.23 -1.26 -4.86 115.26 121.30 2x05 n ASN 663 Ca -0.19 -0.52 0.05 0.00 -0.53 0.00 0.00 54.58 53.39 2x05 n ASN 663 Cb 0.51 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.70 2x05 n ASN 663 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2x05 h GLY 664 N 0.00 0.15 0.70 4.83 0.00 -1.87 -1.89 103.07 104.98 2x05 h GLY 664 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 2x05 h GLY 664 CO 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 176.54 176.43 2x05 h ALA 665 N 1.79 0.17 0.40 3.60 0.00 -1.79 -1.46 119.26 121.98 2x05 h ALA 665 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2x05 h ALA 665 Cb 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2x05 h ALA 665 CO 0.01 0.10 -0.49 -0.92 0.00 0.00 0.00 179.25 177.95 2x05 h TYR 666 N -0.10 -1.37 -0.50 0.00 3.20 -1.40 -1.13 116.97 115.66 2x05 h TYR 666 Ca 0.01 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.99 2x05 h TYR 666 Cb 0.76 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 39.54 2x05 h TYR 666 CO 0.10 -0.63 0.34 1.88 -1.64 0.00 0.00 178.16 178.22 2x05 h TYR 667 N -0.91 0.29 -0.29 -3.82 0.05 -1.42 -0.62 116.97 110.25 2x05 h TYR 667 Ca -0.05 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 2x05 h TYR 667 Cb 0.81 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 2x05 h TYR 667 CO -0.29 0.14 -0.05 0.78 -1.05 0.00 0.00 178.16 177.69 2x05 h GLY 668 N 0.28 0.60 0.99 3.88 0.00 -0.93 0.98 103.07 108.87 2x05 h GLY 668 Ca 0.23 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2x05 h GLY 668 CO -0.05 0.44 0.18 0.00 0.00 0.00 0.00 176.54 177.11 2x05 h ALA 669 N 0.80 0.74 -0.21 3.60 0.00 -0.27 -2.24 119.26 121.68 2x05 h ALA 669 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2x05 h ALA 669 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2x05 h ALA 669 CO 0.03 0.40 0.13 -0.22 0.00 0.00 0.00 179.25 179.59 2x05 h LYS 670 N 0.79 0.28 0.22 0.00 3.64 -1.08 -1.89 116.57 118.53 2x05 h LYS 670 Ca 0.18 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2x05 h LYS 670 Cb 0.28 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2x05 h LYS 670 CO -0.01 0.20 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.82 2x05 h LYS 671 N 0.27 -0.61 -0.95 1.90 1.63 -0.73 -2.81 116.57 115.27 2x05 h LYS 671 Ca 0.08 0.04 0.22 0.00 -0.85 0.00 0.00 60.65 60.13 2x05 h LYS 671 Cb -0.01 0.14 -0.12 0.00 -0.60 0.00 0.00 32.23 31.64 2x05 h LYS 671 CO -0.02 -0.41 0.51 0.00 -3.45 0.00 0.00 179.45 176.09 2x05 h ALA 672 N -0.08 1.59 -0.63 5.00 0.00 -1.28 -2.57 119.26 121.30 2x05 h ALA 672 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2x05 h ALA 672 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2x05 h ALA 672 CO -0.14 -0.24 0.00 0.09 0.00 0.00 0.00 179.25 178.97 2x05 n ASN 673 N -4.92 3.36 -4.50 0.00 3.02 -0.72 -4.80 115.26 106.71 2x05 n ASN 673 Ca 0.24 -2.00 -0.50 0.00 -0.03 0.00 0.00 54.58 52.29 2x05 n ASN 673 Cb 0.65 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 2x05 n ASN 673 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2x05 n GLU 674 N 1.34 0.51 -0.21 3.52 1.02 -0.97 -4.59 120.64 121.26 2x05 n GLU 674 Ca 0.21 0.18 -0.05 0.00 -0.02 0.00 0.00 57.16 57.48 2x05 n GLU 674 Cb 0.53 -1.47 0.12 0.00 -0.02 0.00 0.00 31.44 30.60 2x05 n GLU 674 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2x05 h PRO 675 N 2.20 1.02 -4.80 3.49 0.13 -1.92 -3.37 132.00 128.75 2x05 h PRO 675 Ca -0.38 -0.21 -0.66 0.00 -0.87 0.00 0.00 66.00 63.87 2x05 h PRO 675 Cb 1.40 -0.15 -0.38 0.00 0.13 0.00 0.00 31.00 32.00 2x05 h PRO 675 CO 0.63 0.88 -0.79 -1.17 -0.23 0.00 0.00 178.00 177.32 2x05 s LEU 676 N -9.51 3.57 0.00 1.56 2.96 -1.26 0.53 118.68 116.54 2x05 s LEU 676 Ca -0.11 -1.50 0.03 0.00 -0.22 0.00 0.00 54.13 52.34 2x05 s LEU 676 Cb 0.15 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 2x05 s LEU 676 CO 0.82 -0.22 -0.11 -2.28 -1.32 0.00 0.00 176.35 173.24 2x05 s HIS 677 N 1.10 0.96 -0.10 5.38 2.46 0.05 -4.30 115.29 120.84 2x05 s HIS 677 Ca -0.06 -0.22 0.02 0.00 0.47 0.00 0.00 55.06 55.27 2x05 s HIS 677 Cb -0.20 -0.60 -0.02 0.00 -0.13 0.00 0.00 32.58 31.63 2x05 s HIS 677 CO -0.06 -0.01 -0.14 -1.50 -2.47 0.00 0.00 174.74 170.56 2x05 s ILE 678 N -0.41 3.02 0.03 0.89 2.07 -1.26 -0.78 121.20 124.76 2x05 s ILE 678 Ca 0.03 -0.70 -0.00 0.00 -1.41 0.00 0.00 60.65 58.56 2x05 s ILE 678 Cb -0.05 -2.23 -0.03 0.00 0.13 0.00 0.00 42.46 40.29 2x05 s ILE 678 CO -0.00 0.55 -0.03 0.00 -1.91 0.00 0.00 174.94 173.55 2x05 s GLN 679 N -0.10 0.42 -0.23 3.50 -2.07 0.59 -4.69 119.66 117.08 2x05 s GLN 679 Ca -0.02 -0.82 -0.06 0.00 -1.82 0.00 0.00 55.36 52.64 2x05 s GLN 679 Cb -0.14 0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 31.90 2x05 s GLN 679 CO 0.04 -0.07 0.02 -0.47 -1.32 0.00 0.00 175.29 173.49 2x05 s TYR 680 N -2.32 3.03 -0.08 9.60 5.04 -1.26 -0.13 117.35 131.23 2x05 s TYR 680 Ca -0.08 -0.61 -0.30 0.00 -2.44 0.00 0.00 57.07 53.64 2x05 s TYR 680 Cb -0.04 -2.17 -0.02 0.00 0.35 0.00 0.00 41.96 40.08 2x05 s TYR 680 CO -0.04 -0.41 1.14 -1.12 -1.34 0.00 0.00 175.55 173.78 2x05 s SER 681 N 1.48 7.10 0.43 4.32 0.01 -0.31 -4.95 113.70 121.79 2x05 s SER 681 Ca 0.06 1.71 0.24 0.00 1.31 0.00 0.00 55.95 59.26 2x05 s SER 681 Cb -0.15 -2.56 0.68 0.00 0.21 0.00 0.00 66.02 64.20 2x05 s SER 681 CO 0.01 -0.56 1.72 0.45 0.41 0.00 0.00 173.24 175.27 2x05 h HIS 682 N 7.38 0.00 0.20 2.43 3.86 -1.94 -1.15 115.15 125.94 2x05 h HIS 682 Ca -0.32 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.88 2x05 h HIS 682 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2x05 h HIS 682 CO 0.73 0.19 -0.10 0.38 0.86 0.00 0.00 177.93 179.99 2x05 h ASP 683 N 0.00 -0.23 -0.10 2.45 2.03 -1.92 -3.42 116.42 115.23 2x05 h ASP 683 Ca -0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2x05 h ASP 683 Cb 0.90 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 2x05 h ASP 683 CO 0.02 0.29 0.00 -0.46 -1.03 0.00 0.00 179.24 178.07 2x05 n ASN 684 N -4.95 2.00 -1.62 4.15 0.23 -1.25 -5.00 115.26 108.83 2x05 n ASN 684 Ca -0.06 -1.59 -0.16 0.00 -0.53 0.00 0.00 54.58 52.23 2x05 n ASN 684 Cb 0.19 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 2x05 n ASN 684 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2x05 n ARG 685 N 0.27 -1.24 -3.04 -3.83 1.74 -0.43 -4.76 116.66 105.35 2x05 n ARG 685 Ca 0.05 0.92 -0.39 0.00 -0.77 0.00 0.00 57.85 57.66 2x05 n ARG 685 Cb 0.25 -5.24 -0.06 0.00 -1.02 0.00 0.00 32.46 26.39 2x05 n ARG 685 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2x05 s SER 686 N -2.50 7.32 -0.20 0.55 1.04 -1.26 -0.37 113.70 118.29 2x05 s SER 686 Ca 0.00 1.56 -0.17 0.00 0.48 0.00 0.00 55.95 57.82 2x05 s SER 686 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 2x05 s SER 686 CO 0.00 0.22 0.47 -0.69 0.98 0.00 0.00 173.24 174.22 2x05 s VAL 687 N -1.09 5.14 -0.03 5.02 1.01 0.88 -1.16 120.40 130.16 2x05 s VAL 687 Ca 0.34 0.86 0.05 0.00 0.00 0.00 0.00 61.98 63.24 2x05 s VAL 687 Cb -0.22 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2x05 s VAL 687 CO 0.25 0.21 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 2x05 s VAL 688 N 1.49 1.39 -0.20 2.92 1.01 0.81 -1.17 120.40 126.66 2x05 s VAL 688 Ca 0.22 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 2x05 s VAL 688 Cb -0.15 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 2x05 s VAL 688 CO 0.09 0.40 0.05 -0.69 0.00 0.00 0.00 175.10 174.95 2x05 s VAL 689 N -0.21 4.49 -0.14 2.92 1.01 0.48 -0.30 120.40 128.65 2x05 s VAL 689 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2x05 s VAL 689 Cb -0.09 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2x05 s VAL 689 CO 0.01 0.43 -0.15 -0.63 0.00 0.00 0.00 175.10 174.75 2x05 s ILE 690 N 0.76 2.79 -0.33 2.22 -1.09 0.04 -1.21 121.20 124.37 2x05 s ILE 690 Ca 0.03 -0.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.64 2x05 s ILE 690 Cb -0.14 -2.17 0.04 0.00 -1.58 0.00 0.00 42.46 38.61 2x05 s ILE 690 CO 0.02 0.52 0.09 0.21 -1.23 0.00 0.00 174.94 174.55 2x05 s ASN 691 N 0.57 5.24 0.02 3.58 2.47 -0.97 -0.77 114.94 125.08 2x05 s ASN 691 Ca -0.09 -1.09 0.26 0.00 0.42 0.00 0.00 52.86 52.35 2x05 s ASN 691 Cb -0.16 -1.85 0.61 0.00 -1.45 0.00 0.00 41.25 38.40 2x05 s ASN 691 CO 0.03 -0.30 1.49 0.00 -3.72 0.00 0.00 177.10 174.61 2x05 n GLN 692 N 4.80 0.04 -1.46 0.43 1.13 0.19 -0.31 117.38 122.20 2x05 n GLN 692 Ca -0.13 0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.65 2x05 n GLN 692 Cb 0.45 -1.53 0.12 0.00 0.11 0.00 0.00 30.24 29.39 2x05 n GLN 692 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2x05 s THR 693 N -3.02 2.61 -2.06 5.09 -4.23 -1.25 -4.11 115.64 108.67 2x05 s THR 693 Ca 0.11 0.20 0.22 0.00 -1.18 0.00 0.00 61.69 61.04 2x05 s THR 693 Cb 0.17 -2.88 0.59 0.00 1.34 0.00 0.00 72.50 71.73 2x05 s THR 693 CO 0.67 -0.26 1.79 -1.54 -0.54 0.00 0.00 174.62 174.75 2x05 n SER 694 N -3.66 0.31 -4.03 3.99 3.41 -1.26 -0.78 113.62 111.60 2x05 n SER 694 Ca 0.07 -1.38 -0.21 0.00 -0.26 0.00 0.00 58.87 57.09 2x05 n SER 694 Cb 0.57 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.35 2x05 n SER 694 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2x05 s ASN 695 N -1.68 1.33 0.53 4.04 0.01 -1.26 -4.85 114.94 113.06 2x05 s ASN 695 Ca 0.33 -0.21 -0.22 0.00 -0.71 0.00 0.00 52.86 52.05 2x05 s ASN 695 Cb 0.16 -0.30 -0.05 0.00 0.41 0.00 0.00 41.25 41.46 2x05 s ASN 695 CO 0.26 0.09 1.37 0.00 -1.51 0.00 0.00 177.10 177.31 2x05 s ALA 696 N 0.06 2.88 0.05 0.60 0.00 -1.26 -4.47 121.76 119.61 2x05 s ALA 696 Ca -0.01 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.37 2x05 s ALA 696 Cb -0.08 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2x05 s ALA 696 CO 0.00 -1.35 -0.21 0.08 0.00 0.00 0.00 175.76 174.29 2x05 s VAL 697 N -1.29 1.66 0.25 0.00 1.01 -0.63 -4.96 120.40 116.44 2x05 s VAL 697 Ca 0.70 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2x05 s VAL 697 Cb -0.41 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2x05 s VAL 697 CO 0.49 0.17 -0.01 -0.44 0.00 0.00 0.00 175.10 175.31 2x05 s SER 698 N -1.27 2.06 -1.25 3.32 0.01 -1.26 -1.12 113.70 114.19 2x05 s SER 698 Ca 0.07 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2x05 s SER 698 Cb -0.09 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2x05 s SER 698 CO 0.02 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2x05 n GLY 699 N -0.48 0.36 3.79 3.44 0.00 -1.04 -4.45 105.19 106.80 2x05 n GLY 699 Ca -0.05 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2x05 n GLY 699 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x05 s LEU 700 N -3.60 4.51 -0.07 0.99 1.43 -0.92 -2.87 118.68 118.16 2x05 s LEU 700 Ca 0.00 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 54.73 2x05 s LEU 700 Cb 0.00 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 2x05 s LEU 700 CO 0.00 0.14 -0.19 0.28 0.23 0.00 0.00 176.35 176.81 2x05 s THR 701 N -1.29 2.61 -0.26 5.49 -1.32 -0.08 -0.20 115.64 120.60 2x05 s THR 701 Ca 0.39 -0.87 -0.05 0.00 -1.21 0.00 0.00 61.69 59.95 2x05 s THR 701 Cb -0.21 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2x05 s THR 701 CO 0.24 0.57 0.02 0.00 -2.21 0.00 0.00 174.62 173.24 2x05 s ALA 702 N -0.31 2.95 -0.21 11.08 0.00 0.18 -1.58 121.76 133.87 2x05 s ALA 702 Ca 0.02 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 2x05 s ALA 702 Cb -0.13 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 2x05 s ALA 702 CO 0.03 -0.69 -0.05 0.99 0.00 0.00 0.00 175.76 176.03 2x05 s THR 703 N 1.48 3.33 -0.12 0.00 2.01 0.39 -1.21 115.64 121.52 2x05 s THR 703 Ca 0.04 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.55 2x05 s THR 703 Cb -0.16 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.86 2x05 s THR 703 CO -0.00 0.44 -0.20 0.28 -0.69 0.00 0.00 174.62 174.45 2x05 s THR 704 N 1.35 1.87 -0.02 -0.82 -1.32 0.24 -1.18 115.64 115.75 2x05 s THR 704 Ca 0.04 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 59.67 2x05 s THR 704 Cb -0.14 -1.66 0.01 0.00 -1.51 0.00 0.00 72.50 69.19 2x05 s THR 704 CO -0.03 0.51 -0.07 -0.54 -2.21 0.00 0.00 174.62 172.29 2x05 s LYS 705 N 0.82 0.73 -0.09 7.08 1.02 -0.17 -0.93 119.74 128.20 2x05 s LYS 705 Ca -0.08 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.68 2x05 s LYS 705 Cb -0.16 -0.71 -0.03 0.00 -0.52 0.00 0.00 37.83 36.41 2x05 s LYS 705 CO -0.01 0.07 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.94 2x05 s LEU 706 N 0.25 3.30 -0.05 3.17 1.43 -0.36 0.55 118.68 126.97 2x05 s LEU 706 Ca -0.03 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2x05 s LEU 706 Cb -0.08 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2x05 s LEU 706 CO 0.00 0.32 -0.12 -0.31 0.23 0.00 0.00 176.35 176.47 2x05 s TYR 707 N -0.55 1.37 0.79 0.29 1.51 0.12 0.25 117.35 121.12 2x05 s TYR 707 Ca 0.09 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 55.61 2x05 s TYR 707 Cb -0.12 -0.98 0.07 0.00 -0.11 0.00 0.00 41.96 40.82 2x05 s TYR 707 CO 0.02 -0.20 1.10 -0.80 -1.11 0.00 0.00 175.55 174.56 2x05 s ASN 708 N 0.39 4.36 0.00 2.29 0.01 -0.41 -0.86 114.94 120.72 2x05 s ASN 708 Ca -0.09 1.85 0.11 0.00 -0.71 0.00 0.00 52.86 54.03 2x05 s ASN 708 Cb -0.13 -2.52 0.55 0.00 0.41 0.00 0.00 41.25 39.57 2x05 s ASN 708 CO 0.02 -2.13 1.30 0.18 -1.51 0.00 0.00 177.10 174.96 2x05 n LEU 709 N -3.59 0.00 0.00 0.60 4.77 -1.26 -0.80 117.00 116.73 2x05 n LEU 709 Ca 0.09 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 2x05 n LEU 709 Cb 0.53 -0.35 0.20 0.00 -2.33 0.00 0.00 43.42 41.48 2x05 n LEU 709 CO 0.53 -0.21 0.38 -0.90 -1.33 0.00 0.00 177.39 175.86 2x05 n ASP 710 N -1.35 0.56 0.00 -1.43 5.75 -1.26 -4.51 116.55 114.32 2x05 n ASP 710 Ca 0.05 -0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 2x05 n ASP 710 Cb 0.10 0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 2x05 n ASP 710 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x05 n GLY 711 N 1.49 0.70 3.69 6.12 0.00 0.02 -4.66 105.19 112.55 2x05 n GLY 711 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2x05 n GLY 711 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x05 s THR 712 N -2.00 3.28 -0.02 2.61 2.01 -1.25 -4.82 115.64 115.45 2x05 s THR 712 Ca 0.00 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 2x05 s THR 712 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2x05 s THR 712 CO 0.00 0.01 1.16 -0.70 -0.69 0.00 0.00 174.62 174.40 2x05 s GLU 713 N 2.28 4.40 0.00 4.92 2.12 -1.26 -1.29 118.70 129.86 2x05 s GLU 713 Ca 0.69 1.65 0.06 0.00 0.36 0.00 0.00 54.97 57.72 2x05 s GLU 713 Cb -0.37 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 2x05 s GLU 713 CO 0.30 -0.34 0.34 1.63 -0.54 0.00 0.00 175.26 176.65 2x05 n LYS 714 N 4.72 4.01 -3.63 4.30 4.76 0.14 -4.97 118.16 127.49 2x05 n LYS 714 Ca 0.10 -0.19 -0.13 0.00 -2.87 0.00 0.00 58.31 55.22 2x05 n LYS 714 Cb 0.47 -0.84 -0.07 0.00 -1.84 0.00 0.00 35.03 32.75 2x05 n LYS 714 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2x05 s TYR 715 N -1.33 -0.70 -0.05 2.13 5.04 -1.17 -4.93 117.35 116.34 2x05 s TYR 715 Ca 0.03 1.70 -0.05 0.00 -2.44 0.00 0.00 57.07 56.31 2x05 s TYR 715 Cb 0.05 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.67 2x05 s TYR 715 CO 0.20 -0.35 0.14 0.45 -1.34 0.00 0.00 175.55 174.65 2x05 s SER 716 N 0.26 -0.14 -0.13 4.32 0.15 -1.26 -1.22 113.70 115.68 2x05 s SER 716 Ca 0.00 0.28 -0.08 0.00 0.70 0.00 0.00 55.95 56.85 2x05 s SER 716 Cb -0.05 0.28 0.05 0.00 -1.71 0.00 0.00 66.02 64.58 2x05 s SER 716 CO -0.00 -0.05 0.31 0.21 1.20 0.00 0.00 173.24 174.91 2x05 s ASN 717 N 0.14 -0.36 -0.19 5.45 2.47 -0.11 -5.01 114.94 117.34 2x05 s ASN 717 Ca -0.01 0.66 0.00 0.00 0.42 0.00 0.00 52.86 53.94 2x05 s ASN 717 Cb -0.02 0.58 0.04 0.00 -1.45 0.00 0.00 41.25 40.40 2x05 s ASN 717 CO -0.00 -0.16 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.24 2x05 s THR 718 N 1.01 1.49 -0.25 -5.21 2.01 -1.26 -0.59 115.64 112.84 2x05 s THR 718 Ca -0.07 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 2x05 s THR 718 Cb -0.08 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 2x05 s THR 718 CO -0.07 0.16 0.03 -0.75 -0.69 0.00 0.00 174.62 173.30 2x05 s LYS 719 N 1.46 3.38 0.33 4.92 2.47 -0.35 -4.96 119.74 126.99 2x05 s LYS 719 Ca -0.01 -0.65 0.08 0.00 -1.56 0.00 0.00 55.97 53.84 2x05 s LYS 719 Cb -0.16 -3.21 -0.04 0.00 -1.46 0.00 0.00 37.83 32.96 2x05 s LYS 719 CO -0.08 -0.27 0.18 0.95 0.16 0.00 0.00 175.35 176.29 2x05 s THR 720 N 1.53 3.31 -1.17 3.43 -4.23 -1.26 0.47 115.64 117.71 2x05 s THR 720 Ca 0.05 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 2x05 s THR 720 Cb -0.15 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 2x05 s THR 720 CO 0.01 -0.21 0.99 0.61 -0.54 0.00 0.00 174.62 175.47 2x05 n GLY 721 N -1.19 -0.50 3.76 3.99 0.00 -0.66 -4.91 105.19 105.68 2x05 n GLY 721 Ca -0.03 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2x05 n GLY 721 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x05 s LEU 722 N -6.19 4.30 0.13 0.99 1.43 0.72 -4.74 118.68 115.32 2x05 s LEU 722 Ca 0.08 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 2x05 s LEU 722 Cb -0.01 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 2x05 s LEU 722 CO 0.73 0.17 0.12 -0.44 0.23 0.00 0.00 176.35 177.16 2x05 s SER 723 N 0.04 5.58 -0.25 2.29 0.01 -1.26 -2.16 113.70 117.95 2x05 s SER 723 Ca 0.18 -0.06 -0.14 0.00 1.31 0.00 0.00 55.95 57.24 2x05 s SER 723 Cb -0.14 -1.49 0.08 0.00 0.21 0.00 0.00 66.02 64.68 2x05 s SER 723 CO 0.06 0.11 0.62 0.54 0.41 0.00 0.00 173.24 174.97 2x05 s VAL 724 N -1.60 -0.09 1.40 3.43 0.11 -0.28 -4.76 120.40 118.61 2x05 s VAL 724 Ca 0.31 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 2x05 s VAL 724 Cb -0.11 -0.90 0.36 0.00 -1.53 0.00 0.00 36.38 34.20 2x05 s VAL 724 CO 0.23 0.01 0.94 -0.83 -3.33 0.00 0.00 175.10 172.12 2x05 s GLY 725 N 1.69 1.43 0.43 6.54 0.00 -1.26 -1.60 107.32 114.54 2x05 s GLY 725 Ca -0.09 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.81 2x05 s GLY 725 CO -0.18 0.22 0.72 0.00 0.00 0.00 0.00 173.10 173.85 2x05 s ALA 726 N -2.31 3.47 -0.75 3.20 0.00 -1.26 -4.23 121.76 119.88 2x05 s ALA 726 Ca 0.69 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 2x05 s ALA 726 Cb -0.14 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.49 2x05 s ALA 726 CO 0.58 -0.19 0.63 1.28 0.00 0.00 0.00 175.76 178.06 2x05 n LEU 727 N -1.92 -3.36 0.00 0.00 4.77 0.04 -3.40 117.00 113.13 2x05 n LEU 727 Ca -0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2x05 n LEU 727 Cb 0.55 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 2x05 n LEU 727 CO 0.51 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2x05 n GLY 728 N -1.10 0.49 3.71 -0.72 0.00 0.58 -4.70 105.19 103.45 2x05 n GLY 728 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2x05 n GLY 728 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 s ALA 729 N -2.20 1.68 0.32 4.61 0.00 -1.22 -4.73 121.76 120.21 2x05 s ALA 729 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.23 2x05 s ALA 729 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 2x05 s ALA 729 CO 0.00 -2.32 0.08 -1.59 0.00 0.00 0.00 175.76 171.92 2x05 s LYS 730 N -4.81 1.62 -0.04 0.00 -2.85 -1.26 -2.29 119.74 110.11 2x05 s LYS 730 Ca 0.64 -1.90 -0.14 0.00 -1.00 0.00 0.00 55.97 53.57 2x05 s LYS 730 Cb -0.19 -0.68 0.02 0.00 -2.06 0.00 0.00 37.83 34.92 2x05 s LYS 730 CO 0.57 -0.25 0.31 0.00 0.10 0.00 0.00 175.35 176.09 2x05 s ALA 731 N -3.41 -0.78 -0.24 0.59 0.00 -0.35 -4.71 121.76 112.86 2x05 s ALA 731 Ca 0.36 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.67 2x05 s ALA 731 Cb 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2x05 s ALA 731 CO 0.15 -0.24 0.14 0.99 0.00 0.00 0.00 175.76 176.80 2x05 s THR 732 N -1.00 5.14 -0.10 0.00 2.01 -1.26 -0.39 115.64 120.05 2x05 s THR 732 Ca -0.11 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 2x05 s THR 732 Cb -0.05 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 2x05 s THR 732 CO 0.03 0.35 -0.05 0.00 -0.69 0.00 0.00 174.62 174.27 2x05 h ALA 733 N 7.56 0.00 -2.77 7.40 0.00 -1.53 -3.49 119.26 126.43 2x05 h ALA 733 Ca -0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2x05 h ALA 733 Cb 1.17 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 2x05 h ALA 733 CO 0.64 0.14 0.21 0.54 0.00 0.00 0.00 179.25 180.79 2x05 s VAL 734 N -1.70 0.00 -0.36 0.00 0.11 -1.25 -4.95 120.40 112.26 2x05 s VAL 734 Ca -0.04 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 2x05 s VAL 734 Cb 0.01 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2x05 s VAL 734 CO 0.06 0.00 0.24 -0.89 -3.33 0.00 0.00 175.10 171.18 2x05 s THR 735 N -3.19 5.12 0.08 5.04 2.01 -1.26 -0.09 115.64 123.35 2x05 s THR 735 Ca -0.02 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 2x05 s THR 735 Cb -0.01 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 2x05 s THR 735 CO -0.08 -0.10 1.91 -0.69 -0.69 0.00 0.00 174.62 174.97 2x05 s VAL 736 N 1.68 2.78 0.86 3.82 1.01 0.51 -4.95 120.40 126.10 2x05 s VAL 736 Ca 0.05 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2x05 s VAL 736 Cb -0.18 -3.01 0.11 0.00 0.00 0.00 0.00 36.38 33.29 2x05 s VAL 736 CO 0.09 -0.00 1.12 -2.16 0.00 0.00 0.00 175.10 174.16 2x05 s PRO 737 N 3.69 1.59 0.30 2.72 0.04 -1.26 -4.87 135.00 137.20 2x05 s PRO 737 Ca 0.85 0.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 2x05 s PRO 737 Cb -0.44 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 2x05 s PRO 737 CO 0.39 -1.92 1.34 0.00 0.04 0.00 0.00 177.00 176.86 2x05 s ALA 738 N -3.26 3.53 -0.08 8.56 0.00 -1.26 -5.01 121.76 124.25 2x05 s ALA 738 Ca 0.62 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.89 2x05 s ALA 738 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2x05 s ALA 738 CO 0.53 -0.67 -0.21 0.08 0.00 0.00 0.00 175.76 175.50 2x05 s VAL 739 N -0.73 1.78 0.38 0.00 1.01 -1.26 -5.11 120.40 116.46 2x05 s VAL 739 Ca 0.52 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 2x05 s VAL 739 Cb -0.40 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 2x05 s VAL 739 CO 0.49 0.50 1.07 -0.94 0.00 0.00 0.00 175.10 176.22 2x05 s SER 740 N 0.32 6.82 0.00 3.32 1.04 -1.26 -4.13 113.70 119.81 2x05 s SER 740 Ca -0.14 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.40 2x05 s SER 740 Cb -0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2x05 s SER 740 CO 0.06 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2x05 n GLY 741 N 0.54 0.44 3.75 7.32 0.00 -1.26 -5.03 105.19 110.94 2x05 n GLY 741 Ca 0.04 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 2x05 n GLY 741 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x05 s LEU 742 N 0.00 4.51 0.55 0.99 1.43 -1.26 -5.00 118.68 119.90 2x05 s LEU 742 Ca 0.00 2.22 -0.21 0.00 -1.03 0.00 0.00 54.13 55.10 2x05 s LEU 742 Cb 0.00 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 2x05 s LEU 742 CO 0.00 -0.23 1.34 -0.94 0.23 0.00 0.00 176.35 176.76 2x05 s SER 743 N -0.41 5.26 0.26 2.29 1.04 -1.26 -4.91 113.70 115.97 2x05 s SER 743 Ca 0.48 2.73 -0.06 0.00 0.48 0.00 0.00 55.95 59.58 2x05 s SER 743 Cb -0.32 -2.63 0.48 0.00 0.10 0.00 0.00 66.02 63.66 2x05 s SER 743 CO 0.38 -1.58 1.60 0.74 0.98 0.00 0.00 173.24 175.36 2x05 h THR 744 N 1.39 0.16 -3.59 2.02 2.02 -1.94 -3.21 112.91 109.77 2x05 h THR 744 Ca -0.51 -0.01 -0.64 0.00 0.77 0.00 0.00 66.41 66.02 2x05 h THR 744 Cb 1.30 0.13 -0.20 0.00 -1.74 0.00 0.00 68.15 67.64 2x05 h THR 744 CO 0.57 0.01 -0.60 -0.89 0.37 0.00 0.00 175.52 174.98 2x05 s THR 745 N -6.16 4.53 0.38 3.16 2.01 -1.26 -0.30 115.64 118.01 2x05 s THR 745 Ca -0.14 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 61.80 2x05 s THR 745 Cb 0.25 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2x05 s THR 745 CO 0.76 0.36 0.14 -0.72 -0.69 0.00 0.00 174.62 174.48 2x05 s TYR 746 N 1.30 1.76 0.02 4.92 -0.85 -0.47 -4.29 117.35 119.74 2x05 s TYR 746 Ca 0.05 -1.31 0.09 0.00 -0.52 0.00 0.00 57.07 55.38 2x05 s TYR 746 Cb -0.15 -1.07 -0.03 0.00 0.38 0.00 0.00 41.96 41.10 2x05 s TYR 746 CO 0.04 -0.37 -0.25 -0.51 -1.52 0.00 0.00 175.55 172.94 2x05 s LEU 747 N -3.54 2.17 -0.15 -3.49 1.43 -0.04 -0.37 118.68 114.69 2x05 s LEU 747 Ca 0.28 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2x05 s LEU 747 Cb 0.03 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2x05 s LEU 747 CO 0.16 0.28 -0.18 0.00 0.23 0.00 0.00 176.35 176.84 2x05 s ALA 748 N -0.75 2.38 -0.27 4.21 0.00 -0.09 -0.71 121.76 126.54 2x05 s ALA 748 Ca 0.11 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 2x05 s ALA 748 Cb -0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 2x05 s ALA 748 CO 0.01 -0.09 0.09 0.21 0.00 0.00 0.00 175.76 175.98 2x05 s LYS 749 N 0.91 3.45 -0.17 0.00 2.20 0.19 -1.26 119.74 125.06 2x05 s LYS 749 Ca -0.04 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 54.95 2x05 s LYS 749 Cb -0.15 -3.38 -0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2x05 s LYS 749 CO -0.03 -0.30 -0.13 -0.80 -0.36 0.00 0.00 175.35 173.73 2x05 s ASN 750 N 1.59 3.76 -0.04 1.43 0.02 0.00 -1.00 114.94 120.70 2x05 s ASN 750 Ca 0.05 -0.47 0.02 0.00 -1.02 0.00 0.00 52.86 51.45 2x05 s ASN 750 Cb -0.16 -1.59 0.01 0.00 0.02 0.00 0.00 41.25 39.53 2x05 s ASN 750 CO 0.04 0.06 -0.08 -0.69 0.02 0.00 0.00 177.10 176.44 2x05 s VAL 751 N 0.99 0.76 -0.14 1.60 1.01 -0.33 0.50 120.40 124.79 2x05 s VAL 751 Ca -0.02 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2x05 s VAL 751 Cb -0.15 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 2x05 s VAL 751 CO -0.02 0.26 -0.18 -0.22 0.00 0.00 0.00 175.10 174.93 2x05 s LEU 752 N 0.55 2.34 -0.04 3.92 2.96 0.81 -0.47 118.68 128.76 2x05 s LEU 752 Ca -0.09 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2x05 s LEU 752 Cb -0.12 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 2x05 s LEU 752 CO 0.01 0.11 -0.16 0.42 -1.32 0.00 0.00 176.35 175.41 2x05 s THR 753 N 0.67 1.32 0.91 3.68 -4.23 -0.62 -0.34 115.64 117.04 2x05 s THR 753 Ca -0.09 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 59.63 2x05 s THR 753 Cb -0.16 -1.14 0.18 0.00 1.34 0.00 0.00 72.50 72.73 2x05 s THR 753 CO 0.02 0.38 1.25 1.51 -0.54 0.00 0.00 174.62 177.25 2x05 s ASP 754 N 0.03 3.40 0.51 3.99 1.47 -0.35 -0.90 116.67 124.82 2x05 s ASP 754 Ca -0.03 0.15 0.16 0.00 1.18 0.00 0.00 52.55 54.01 2x05 s ASP 754 Cb -0.11 -0.28 1.25 0.00 -0.34 0.00 0.00 42.92 43.45 2x05 s ASP 754 CO 0.02 -2.54 2.14 0.77 0.68 0.00 0.00 175.17 176.24 2x05 h SER 755 N -1.40 0.01 0.27 2.11 4.64 -1.74 0.45 113.55 117.88 2x05 h SER 755 Ca -0.43 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2x05 h SER 755 Cb 1.24 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2x05 h SER 755 CO 0.39 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 2x05 n SER 756 N -4.53 0.00 0.00 4.97 3.41 -1.26 -4.92 113.62 111.29 2x05 n SER 756 Ca -0.03 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 2x05 n SER 756 Cb 0.10 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2x05 n SER 756 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x05 n GLY 757 N 1.12 1.05 3.73 5.00 0.00 0.16 -5.03 105.19 111.22 2x05 n GLY 757 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2x05 n GLY 757 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x05 s LYS 758 N -0.53 4.12 -0.16 1.61 2.20 -1.26 -4.70 119.74 121.02 2x05 s LYS 758 Ca 0.00 2.61 -0.29 0.00 -0.36 0.00 0.00 55.97 57.92 2x05 s LYS 758 Cb 0.00 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2x05 s LYS 758 CO 0.00 -0.71 1.34 -2.00 -0.36 0.00 0.00 175.35 173.62 2x05 s GLU 759 N 0.55 4.18 -0.02 4.03 2.12 -1.26 -1.21 118.70 127.08 2x05 s GLU 759 Ca 0.71 1.70 0.12 0.00 0.36 0.00 0.00 54.97 57.86 2x05 s GLU 759 Cb -0.49 -3.82 -0.19 0.00 0.26 0.00 0.00 34.13 29.89 2x05 s GLU 759 CO 0.38 -0.79 0.26 1.33 -0.54 0.00 0.00 175.26 175.90 2x05 n VAL 760 N 5.51 0.05 -3.69 3.70 0.24 0.54 -4.98 118.33 119.71 2x05 n VAL 760 Ca 0.15 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.34 62.05 2x05 n VAL 760 Cb 0.45 0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.89 2x05 n VAL 760 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2x05 s SER 761 N -3.48 -0.61 -0.07 -1.34 0.15 -1.14 -4.82 113.70 102.39 2x05 s SER 761 Ca -0.05 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.69 2x05 s SER 761 Cb 0.08 0.97 0.01 0.00 -1.71 0.00 0.00 66.02 65.36 2x05 s SER 761 CO 0.51 -0.20 -0.14 -0.60 1.20 0.00 0.00 173.24 174.01 2x05 s ARG 762 N 1.17 1.90 -0.12 5.44 3.52 -1.26 -0.14 118.95 129.47 2x05 s ARG 762 Ca -0.07 -0.49 -0.04 0.00 -0.13 0.00 0.00 55.73 55.00 2x05 s ARG 762 Cb -0.06 -1.54 0.05 0.00 -1.56 0.00 0.00 34.95 31.84 2x05 s ARG 762 CO -0.11 0.06 0.12 1.21 -0.81 0.00 0.00 175.30 175.77 2x05 s ASN 763 N 0.57 1.48 -0.20 -2.12 3.84 0.18 -5.00 114.94 113.68 2x05 s ASN 763 Ca -0.14 -0.13 -0.02 0.00 0.21 0.00 0.00 52.86 52.78 2x05 s ASN 763 Cb -0.16 0.01 0.01 0.00 -0.55 0.00 0.00 41.25 40.56 2x05 s ASN 763 CO 0.04 -0.29 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.26 2x05 s VAL 764 N 2.22 2.80 -0.10 -5.21 1.01 -1.26 -0.82 120.40 119.04 2x05 s VAL 764 Ca 0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2x05 s VAL 764 Cb -0.14 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2x05 s VAL 764 CO -0.07 0.46 -0.06 -0.31 0.00 0.00 0.00 175.10 175.12 2x05 s TYR 765 N 1.39 2.96 -0.31 5.22 2.02 -0.39 -4.97 117.35 123.27 2x05 s TYR 765 Ca 0.05 -0.12 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 2x05 s TYR 765 Cb -0.14 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2x05 s TYR 765 CO -0.07 0.19 0.20 1.67 -1.57 0.00 0.00 175.55 175.97 2x05 s TRP 766 N -0.39 3.21 0.37 2.71 -2.14 -1.26 -0.91 118.94 120.53 2x05 s TRP 766 Ca 0.06 -0.14 0.05 0.00 2.66 0.00 0.00 56.10 58.73 2x05 s TRP 766 Cb -0.12 -2.41 -0.07 0.00 -3.10 0.00 0.00 33.47 27.77 2x05 s TRP 766 CO 0.02 -0.30 0.04 -0.51 -2.66 0.00 0.00 176.95 173.55 2x05 s LEU 767 N 1.72 2.46 0.03 -4.66 1.43 0.50 -4.98 118.68 115.18 2x05 s LEU 767 Ca 0.06 -1.39 0.03 0.00 -1.03 0.00 0.00 54.13 51.80 2x05 s LEU 767 Cb -0.17 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2x05 s LEU 767 CO 0.10 -0.56 -0.09 -0.55 0.23 0.00 0.00 176.35 175.47 2x05 s SER 768 N -3.60 1.08 0.07 2.29 0.15 -1.26 -1.37 113.70 111.06 2x05 s SER 768 Ca 0.34 -0.43 0.17 0.00 0.70 0.00 0.00 55.95 56.73 2x05 s SER 768 Cb 0.09 -0.03 0.73 0.00 -1.71 0.00 0.00 66.02 65.09 2x05 s SER 768 CO 0.16 -0.07 1.54 0.35 1.20 0.00 0.00 173.24 176.42 2x05 n THR 769 N 1.88 0.93 -3.84 6.45 -2.24 0.59 -4.61 114.28 113.45 2x05 n THR 769 Ca -0.19 0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 2x05 n THR 769 Cb 0.55 -1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 67.63 2x05 n THR 769 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2x05 s LYS 770 N -3.08 3.62 0.39 -0.78 2.20 -1.26 -5.09 119.74 115.73 2x05 s LYS 770 Ca 0.07 -0.50 -0.24 0.00 -0.36 0.00 0.00 55.97 54.93 2x05 s LYS 770 Cb 0.10 -3.23 -0.10 0.00 -1.51 0.00 0.00 37.83 33.09 2x05 s LYS 770 CO 0.31 -0.14 1.00 0.00 -0.36 0.00 0.00 175.35 176.15 2x05 s ALA 771 N 1.45 3.11 0.03 3.13 0.00 -1.26 -3.89 121.76 124.33 2x05 s ALA 771 Ca 0.05 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 2x05 s ALA 771 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2x05 s ALA 771 CO 0.02 -0.03 1.08 -0.51 0.00 0.00 0.00 175.76 176.32 2x05 s ASP 772 N -1.72 7.24 0.04 0.00 1.01 -1.26 -3.47 116.67 118.51 2x05 s ASP 772 Ca 0.57 1.83 0.02 0.00 0.71 0.00 0.00 52.55 55.67 2x05 s ASP 772 Cb -0.18 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 2x05 s ASP 772 CO 0.23 -0.35 -0.07 0.42 0.21 0.00 0.00 175.17 175.61 2x05 s THR 773 N 1.00 0.48 -0.09 -1.27 -4.23 0.16 -4.95 115.64 106.74 2x05 s THR 773 Ca 0.55 -1.11 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 2x05 s THR 773 Cb -0.25 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2x05 s THR 773 CO 0.29 -0.43 0.21 -0.76 -0.54 0.00 0.00 174.62 173.39 2x05 s LEU 774 N -1.65 4.41 -1.16 4.79 1.43 -1.26 -0.38 118.68 124.85 2x05 s LEU 774 Ca -0.10 0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 53.47 2x05 s LEU 774 Cb -0.09 -2.21 0.19 0.00 0.03 0.00 0.00 46.19 44.11 2x05 s LEU 774 CO -0.00 0.38 1.34 0.21 0.23 0.00 0.00 176.35 178.51 2x05 s ASN 775 N -0.99 7.09 0.30 2.29 3.84 0.15 -4.30 114.94 123.31 2x05 s ASN 775 Ca 0.17 -3.04 0.01 0.00 0.21 0.00 0.00 52.86 50.21 2x05 s ASN 775 Cb -0.13 -2.36 0.53 0.00 -0.55 0.00 0.00 41.25 38.74 2x05 s ASN 775 CO 0.06 -0.68 1.89 -0.50 -2.79 0.00 0.00 177.10 175.08 2x05 h TRP 776 N 7.19 1.08 0.00 0.43 4.06 -1.95 -1.72 115.95 125.04 2x05 h TRP 776 Ca 0.27 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.25 2x05 h TRP 776 Cb 0.89 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.70 2x05 h TRP 776 CO 1.04 0.52 0.00 0.41 -3.56 0.00 0.00 178.44 176.85 2x05 n GLY 777 N -1.38 -1.29 0.64 1.49 0.00 -1.26 -1.94 105.19 101.45 2x05 n GLY 777 Ca 0.15 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2x05 n GLY 777 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x05 n GLY 778 N 0.42 0.54 3.74 -0.02 0.00 -0.65 -4.97 105.19 104.26 2x05 n GLY 778 Ca 0.04 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2x05 n GLY 778 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x05 s SER 779 N -1.32 6.42 0.49 1.61 0.01 -0.82 -4.51 113.70 115.58 2x05 s SER 779 Ca 0.29 2.88 0.07 0.00 1.31 0.00 0.00 55.95 60.51 2x05 s SER 779 Cb 0.16 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.83 2x05 s SER 779 CO 0.22 -0.90 0.58 -0.67 0.41 0.00 0.00 173.24 172.89 2x05 n ASP 780 N 2.72 2.05 0.24 2.44 -0.08 -0.48 -5.01 116.55 118.43 2x05 n ASP 780 Ca 0.10 -2.43 0.12 0.00 -1.51 0.00 0.00 54.79 51.07 2x05 n ASP 780 Cb 0.37 -0.26 0.60 0.00 2.34 0.00 0.00 41.12 44.17 2x05 n ASP 780 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 2x05 h TRP 781 N 0.27 0.00 -0.02 -0.67 5.08 -1.96 -3.27 115.95 115.38 2x05 h TRP 781 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 2x05 h TRP 781 Cb 1.08 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 2x05 h TRP 781 CO 0.00 0.17 -0.16 2.48 -1.28 0.00 0.00 178.44 179.65 2x05 n TYR 782 N -3.49 0.00 -3.62 0.12 0.18 -1.26 -3.78 117.16 105.30 2x05 n TYR 782 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 2x05 n TYR 782 Cb 0.33 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.29 2x05 n TYR 782 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 2x05 s TYR 783 N -1.65 -0.06 -0.11 -3.48 -0.85 -1.23 -1.03 117.35 108.93 2x05 s TYR 783 Ca 0.17 -0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.69 2x05 s TYR 783 Cb 0.14 0.55 0.01 0.00 0.38 0.00 0.00 41.96 43.03 2x05 s TYR 783 CO 0.31 -0.31 -0.19 0.99 -1.52 0.00 0.00 175.55 174.83 2x05 s THR 784 N -2.49 1.78 0.80 -3.49 2.01 -1.26 -1.38 115.64 111.61 2x05 s THR 784 Ca 0.13 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 2x05 s THR 784 Cb 0.04 -1.59 0.07 0.00 0.01 0.00 0.00 72.50 71.03 2x05 s THR 784 CO -0.04 0.50 1.16 -2.16 -0.69 0.00 0.00 174.62 173.39 2x05 s PRO 785 N 0.77 2.03 -0.16 4.92 0.04 -1.26 -4.77 135.00 136.58 2x05 s PRO 785 Ca -0.10 0.19 -0.07 0.00 0.04 0.00 0.00 61.00 61.07 2x05 s PRO 785 Cb -0.16 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2x05 s PRO 785 CO 0.01 -1.56 0.08 -0.65 0.04 0.00 0.00 177.00 174.91 2x05 s GLN 786 N -5.51 3.78 0.20 4.56 -0.21 -1.26 0.34 119.66 121.57 2x05 s GLN 786 Ca 0.62 -0.29 0.10 0.00 0.02 0.00 0.00 55.36 55.81 2x05 s GLN 786 Cb -0.11 -3.19 0.04 0.00 1.00 0.00 0.00 33.01 30.75 2x05 s GLN 786 CO 0.50 0.43 1.42 0.66 -2.12 0.00 0.00 175.29 176.19 2x05 h SER 787 N 6.15 0.00 -5.00 5.90 4.64 -0.90 -3.41 113.55 120.92 2x05 h SER 787 Ca -0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 2x05 h SER 787 Cb 1.18 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.08 2x05 h SER 787 CO 0.67 0.78 -0.12 0.00 -0.87 0.00 0.00 176.83 177.29 2x05 s ALA 788 N -3.03 -1.09 0.03 5.18 0.00 -0.95 -4.98 121.76 116.93 2x05 s ALA 788 Ca 0.01 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.61 2x05 s ALA 788 Cb 0.10 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2x05 s ALA 788 CO 0.78 -0.33 -0.17 -0.06 0.00 0.00 0.00 175.76 175.97 2x05 s PHE 789 N -1.56 2.58 0.71 0.00 0.40 -1.25 -0.66 117.98 118.19 2x05 s PHE 789 Ca -0.11 -0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 2x05 s PHE 789 Cb -0.03 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 42.05 2x05 s PHE 789 CO 0.04 0.25 1.11 0.00 0.70 0.00 0.00 175.22 177.32 2x05 s ALA 790 N -0.91 2.35 -0.38 5.36 0.00 -1.23 -4.63 121.76 122.33 2x05 s ALA 790 Ca 0.14 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 2x05 s ALA 790 Cb -0.11 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.80 2x05 s ALA 790 CO 0.05 -1.52 0.14 0.34 0.00 0.00 0.00 175.76 174.78 2x05 s ASP 791 N -2.84 5.11 0.00 0.00 -1.08 -1.25 -4.22 116.67 112.38 2x05 s ASP 791 Ca 0.65 -1.93 0.10 0.00 -0.52 0.00 0.00 52.55 50.85 2x05 s ASP 791 Cb -0.20 -1.77 0.13 0.00 -1.46 0.00 0.00 42.92 39.62 2x05 s ASP 791 CO 0.47 -0.47 0.92 0.18 0.52 0.00 0.00 175.17 176.80 2x05 n LEU 792 N 4.54 2.10 0.32 -1.34 4.77 0.10 -4.08 117.00 123.40 2x05 n LEU 792 Ca -0.03 -1.26 0.18 0.00 -0.03 0.00 0.00 56.01 54.87 2x05 n LEU 792 Cb 0.42 -0.05 0.96 0.00 -2.33 0.00 0.00 43.42 42.41 2x05 n LEU 792 CO 0.30 0.45 1.12 0.77 -1.33 0.00 0.00 177.39 178.69 2x05 h SER 793 N 1.93 0.00 -1.17 -1.43 4.64 -1.67 -2.61 113.55 113.24 2x05 h SER 793 Ca 0.00 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.65 2x05 h SER 793 Cb 0.49 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.52 2x05 h SER 793 CO 0.00 0.00 0.82 1.23 -0.87 0.00 0.00 176.83 178.01 2x05 h GLY 794 N 0.00 0.38 1.33 -0.77 0.00 -1.88 0.10 103.07 102.23 2x05 h GLY 794 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.34 2x05 h GLY 794 CO 0.00 -0.06 0.27 1.41 0.00 0.00 0.00 176.54 178.16 2x05 h LEU 795 N 0.11 0.00 -1.80 3.11 3.38 -1.83 0.49 115.31 118.78 2x05 h LEU 795 Ca 0.59 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.63 2x05 h LEU 795 Cb 2.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.85 2x05 h LEU 795 CO -0.10 0.00 0.26 0.78 0.09 0.00 0.00 178.44 179.47 2x05 h ASN 796 N 0.00 0.22 -0.07 -0.43 4.21 -1.04 -2.98 115.58 115.49 2x05 h ASN 796 Ca 0.11 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.62 2x05 h ASN 796 Cb 0.65 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 2x05 h ASN 796 CO -0.00 0.14 0.00 0.59 -1.29 0.00 0.00 177.43 176.87 2x05 n ASN 797 N -4.47 2.31 -4.67 5.81 3.02 0.12 -5.00 115.26 112.38 2x05 n ASN 797 Ca 0.05 -2.26 -0.49 0.00 -0.03 0.00 0.00 54.58 51.85 2x05 n ASN 797 Cb 0.28 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.25 2x05 n ASN 797 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2x05 n LEU 798 N -0.51 3.09 -4.72 3.41 7.94 -0.93 -4.91 117.00 120.36 2x05 n LEU 798 Ca 0.06 1.03 -0.35 0.00 -1.11 0.00 0.00 56.01 55.64 2x05 n LEU 798 Cb 0.39 -1.35 0.09 0.00 0.53 0.00 0.00 43.42 43.07 2x05 n LEU 798 CO 0.02 -0.24 0.82 -0.83 -1.11 0.00 0.00 177.39 176.06 2x05 s GLY 799 N 2.77 2.47 0.21 -3.96 0.00 -1.26 -4.93 107.32 102.62 2x05 s GLY 799 Ca 0.88 0.97 -0.31 0.00 0.00 0.00 0.00 44.72 46.26 2x05 s GLY 799 CO 0.48 1.38 1.57 1.20 0.00 0.00 0.00 173.10 177.74 2x05 s GLN 800 N -3.78 4.20 0.00 2.90 -1.52 -1.26 -4.88 119.66 115.32 2x05 s GLN 800 Ca 0.76 2.42 0.00 0.00 -1.95 0.00 0.00 55.36 56.60 2x05 s GLN 800 Cb -0.31 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.37 2x05 s GLN 800 CO 0.44 -0.60 0.00 0.45 -0.25 0.00 0.00 175.29 175.33 2x05 n SER 801 N 3.34 0.75 -3.51 5.90 2.88 0.32 -4.97 113.62 118.32 2x05 n SER 801 Ca 0.12 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.51 2x05 n SER 801 Cb 0.38 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.80 2x05 n SER 801 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x05 s ALA 802 N -2.15 -1.59 -0.26 -1.46 0.00 -1.26 -4.60 121.76 110.44 2x05 s ALA 802 Ca 0.00 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 2x05 s ALA 802 Cb 0.00 0.38 0.07 0.00 0.00 0.00 0.00 23.12 23.58 2x05 s ALA 802 CO 0.00 -0.53 0.65 0.54 0.00 0.00 0.00 175.76 176.42 2x05 s VAL 803 N -2.33 -0.00 0.00 0.00 0.11 -1.26 -1.98 120.40 114.94 2x05 s VAL 803 Ca -0.06 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2x05 s VAL 803 Cb -0.01 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 2x05 s VAL 803 CO -0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 2x05 n GLY 804 N 4.03 1.95 3.14 6.54 0.00 -1.25 -4.98 105.19 114.61 2x05 n GLY 804 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2x05 n GLY 804 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x05 s ALA 805 N -2.00 1.77 0.04 4.61 0.00 -1.26 0.26 121.76 125.18 2x05 s ALA 805 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.28 2x05 s ALA 805 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2x05 s ALA 805 CO 0.00 0.23 -0.15 0.99 0.00 0.00 0.00 175.76 176.82 2x05 s THR 806 N 0.42 1.23 -0.07 0.00 2.01 -0.12 -4.98 115.64 114.12 2x05 s THR 806 Ca -0.15 -1.02 -0.11 0.00 0.31 0.00 0.00 61.69 60.71 2x05 s THR 806 Cb -0.16 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.28 2x05 s THR 806 CO 0.06 0.06 0.29 0.00 -0.69 0.00 0.00 174.62 174.34 2x05 s ALA 807 N -0.81 -0.72 0.00 7.40 0.00 -1.26 0.45 121.76 126.82 2x05 s ALA 807 Ca 0.03 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 2x05 s ALA 807 Cb -0.08 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2x05 s ALA 807 CO 0.01 -0.18 0.21 1.21 0.00 0.00 0.00 175.76 177.01 2x05 s ASN 808 N -0.41 -0.05 -0.02 0.00 3.04 0.00 -4.36 114.94 113.14 2x05 s ASN 808 Ca -0.05 -0.14 0.04 0.00 0.04 0.00 0.00 52.86 52.75 2x05 s ASN 808 Cb -0.04 0.25 -0.01 0.00 -1.54 0.00 0.00 41.25 39.92 2x05 s ASN 808 CO 0.02 -0.43 -0.14 -0.44 -3.04 0.00 0.00 177.10 173.06 2x05 s SER 809 N -1.49 1.73 -0.15 -4.21 0.01 0.26 0.39 113.70 110.24 2x05 s SER 809 Ca -0.13 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2x05 s SER 809 Cb -0.06 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.93 2x05 s SER 809 CO 0.02 0.17 -0.21 -0.69 0.41 0.00 0.00 173.24 172.93 2x05 s VAL 810 N -0.25 2.11 -0.25 3.43 1.01 -0.69 -4.93 120.40 120.83 2x05 s VAL 810 Ca 0.04 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 2x05 s VAL 810 Cb -0.07 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 2x05 s VAL 810 CO -0.00 0.55 0.87 0.00 0.00 0.00 0.00 175.10 176.52 2x05 s ALA 811 N 0.87 3.65 0.46 5.51 0.00 -1.26 -1.18 121.76 129.80 2x05 s ALA 811 Ca -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 2x05 s ALA 811 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2x05 s ALA 811 CO -0.03 -0.98 0.72 0.20 0.00 0.00 0.00 175.76 175.67 2x05 s GLY 812 N 1.34 1.50 0.38 0.00 0.00 0.26 -4.98 107.32 105.82 2x05 s GLY 812 Ca 0.37 -0.79 0.27 0.00 0.00 0.00 0.00 44.72 44.56 2x05 s GLY 812 CO 0.08 -0.63 1.76 0.00 0.00 0.00 0.00 173.10 174.31 2x05 h ALA 813 N 0.33 1.00 -0.01 3.20 0.00 -1.97 -3.06 119.26 118.74 2x05 h ALA 813 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2x05 h ALA 813 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2x05 h ALA 813 CO 0.60 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 2x05 n ASP 814 N -2.74 0.26 0.00 0.00 5.75 -1.26 -4.86 116.55 113.71 2x05 n ASP 814 Ca 0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 2x05 n ASP 814 Cb 0.40 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2x05 n ASP 814 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x05 n GLY 815 N 0.41 0.82 3.58 6.12 0.00 -1.16 -5.06 105.19 109.91 2x05 n GLY 815 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2x05 n GLY 815 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x05 s THR 816 N -3.18 3.32 -0.08 2.61 -4.23 -1.26 -1.20 115.64 111.62 2x05 s THR 816 Ca 0.00 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2x05 s THR 816 Cb 0.00 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 2x05 s THR 816 CO 0.00 0.03 -0.07 -0.89 -0.54 0.00 0.00 174.62 173.14 2x05 s THR 817 N -1.40 3.65 -0.30 3.99 2.01 0.18 0.93 115.64 124.71 2x05 s THR 817 Ca 0.23 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 2x05 s THR 817 Cb -0.10 -2.50 0.03 0.00 0.01 0.00 0.00 72.50 69.94 2x05 s THR 817 CO 0.14 0.58 0.03 -0.89 -0.69 0.00 0.00 174.62 173.80 2x05 s THR 818 N -0.60 3.38 -0.19 -0.82 2.01 -0.33 -2.30 115.64 116.78 2x05 s THR 818 Ca 0.09 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.81 2x05 s THR 818 Cb -0.12 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 2x05 s THR 818 CO 0.02 -0.02 0.50 -0.89 -0.69 0.00 0.00 174.62 173.53 2x05 s THR 819 N 1.36 5.13 -0.12 -0.82 2.01 -0.03 -1.71 115.64 121.45 2x05 s THR 819 Ca -0.02 0.92 -0.04 0.00 0.31 0.00 0.00 61.69 62.86 2x05 s THR 819 Cb -0.18 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2x05 s THR 819 CO -0.00 0.20 0.03 -0.89 -0.69 0.00 0.00 174.62 173.27 2x05 s THR 820 N 1.50 4.53 -0.06 -0.82 2.01 0.16 -0.19 115.64 122.76 2x05 s THR 820 Ca 0.24 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.09 2x05 s THR 820 Cb -0.15 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.42 2x05 s THR 820 CO 0.09 0.56 -0.06 0.54 -0.69 0.00 0.00 174.62 175.06 2x05 s VAL 821 N -0.43 0.73 -0.24 3.82 0.11 0.10 -0.82 120.40 123.67 2x05 s VAL 821 Ca 0.09 -0.20 -0.08 0.00 -2.93 0.00 0.00 61.98 58.86 2x05 s VAL 821 Cb -0.12 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2x05 s VAL 821 CO 0.02 0.28 0.08 -0.89 -3.33 0.00 0.00 175.10 171.26 2x05 s THR 822 N 1.09 4.51 -0.12 5.04 2.01 0.17 0.64 115.64 128.98 2x05 s THR 822 Ca -0.08 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 2x05 s THR 822 Cb -0.14 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 2x05 s THR 822 CO -0.01 0.34 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.40 2x05 s LEU 823 N 1.46 2.86 -0.03 4.42 1.43 0.30 -0.94 118.68 128.18 2x05 s LEU 823 Ca 0.06 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2x05 s LEU 823 Cb -0.15 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2x05 s LEU 823 CO 0.04 0.21 -0.08 -0.75 0.23 0.00 0.00 176.35 176.00 2x05 s LYS 824 N 0.10 0.92 -0.33 1.70 2.20 0.14 -0.94 119.74 123.53 2x05 s LYS 824 Ca -0.05 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.00 2x05 s LYS 824 Cb -0.14 -0.87 -0.00 0.00 -1.51 0.00 0.00 37.83 35.30 2x05 s LYS 824 CO 0.04 0.09 1.51 1.21 -0.36 0.00 0.00 175.35 177.84 2x05 s ASN 825 N 0.26 6.33 -0.02 1.43 3.84 -1.00 -3.87 114.94 121.92 2x05 s ASN 825 Ca -0.04 1.16 0.17 0.00 0.21 0.00 0.00 52.86 54.36 2x05 s ASN 825 Cb -0.09 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.58 2x05 s ASN 825 CO 0.00 -1.38 1.42 0.35 -2.79 0.00 0.00 177.10 174.71 2x05 n THR 826 N 6.83 1.13 -2.10 -5.21 -2.24 -0.84 -1.52 114.28 110.32 2x05 n THR 826 Ca 0.18 -1.05 -0.35 0.00 -2.27 0.00 0.00 64.05 60.56 2x05 n THR 826 Cb 0.47 0.44 0.02 0.00 -2.10 0.00 0.00 70.33 69.15 2x05 n THR 826 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x05 s SER 827 N -1.03 5.49 0.00 3.42 1.04 -1.26 -4.95 113.70 116.42 2x05 s SER 827 Ca 0.38 2.17 0.14 0.00 0.48 0.00 0.00 55.95 59.12 2x05 s SER 827 Cb 0.21 -2.58 0.53 0.00 0.10 0.00 0.00 66.02 64.28 2x05 s SER 827 CO 0.24 -1.38 1.39 0.61 0.98 0.00 0.00 173.24 175.08 2x05 n GLY 828 N 0.08 0.01 0.00 7.32 0.00 -1.26 -4.77 105.19 106.57 2x05 n GLY 828 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2x05 n GLY 828 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x05 n GLY 829 N 0.95 5.02 0.00 -0.02 0.00 -1.26 -5.07 105.19 104.81 2x05 n GLY 829 Ca 0.12 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2x05 n GLY 829 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x05 n ARG 830 N 0.00 -0.46 -3.09 1.61 0.63 -1.26 -4.81 116.66 109.28 2x05 n ARG 830 Ca 0.00 -0.46 -0.39 0.00 -0.92 0.00 0.00 57.85 56.08 2x05 n ARG 830 Cb 0.00 -0.96 -0.05 0.00 0.45 0.00 0.00 32.46 31.90 2x05 n ARG 830 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2x05 s LEU 831 N -0.13 4.40 0.62 6.15 1.43 -1.26 -4.55 118.68 125.34 2x05 s LEU 831 Ca 0.00 1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 54.20 2x05 s LEU 831 Cb 0.00 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 2x05 s LEU 831 CO 0.00 0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.53 2x05 s PRO 832 N 0.12 3.06 -0.50 1.29 0.04 -1.26 -4.28 135.00 133.46 2x05 s PRO 832 Ca 0.35 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.53 2x05 s PRO 832 Cb -0.19 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.40 2x05 s PRO 832 CO 0.19 -1.04 0.82 0.00 0.04 0.00 0.00 177.00 177.01 2x05 s ALA 833 N -2.29 3.25 -0.18 8.56 0.00 0.12 -4.64 121.76 126.58 2x05 s ALA 833 Ca 0.67 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 2x05 s ALA 833 Cb -0.19 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2x05 s ALA 833 CO 0.38 -2.14 0.17 0.12 0.00 0.00 0.00 175.76 174.28 2x05 s PHE 834 N 3.45 3.45 -0.61 0.00 5.36 -1.26 -1.21 117.98 127.16 2x05 s PHE 834 Ca 0.27 0.42 -0.14 0.00 -0.96 0.00 0.00 56.93 56.52 2x05 s PHE 834 Cb -0.14 -2.17 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 2x05 s PHE 834 CO 0.19 0.35 0.64 0.98 -1.46 0.00 0.00 175.22 175.92 2x05 n TYR 835 N 3.29 -2.83 -3.58 10.12 9.36 -1.04 -1.63 117.16 130.85 2x05 n TYR 835 Ca -0.16 1.14 -0.41 0.00 3.32 0.00 0.00 57.90 61.79 2x05 n TYR 835 Cb 0.52 -3.23 -0.11 0.00 -0.63 0.00 0.00 39.34 35.89 2x05 n TYR 835 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2x05 s VAL 836 N -2.53 4.72 -0.23 2.97 1.01 0.13 -1.87 120.40 124.61 2x05 s VAL 836 Ca 0.16 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2x05 s VAL 836 Cb -0.03 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2x05 s VAL 836 CO 0.82 -0.20 0.12 -0.62 0.00 0.00 0.00 175.10 175.22 2x05 s ASP 837 N 1.59 5.78 -0.12 3.32 -1.08 0.13 -1.65 116.67 124.64 2x05 s ASP 837 Ca 0.03 0.02 -0.03 0.00 -0.52 0.00 0.00 52.55 52.06 2x05 s ASP 837 Cb -0.19 -2.03 -0.03 0.00 -1.46 0.00 0.00 42.92 39.21 2x05 s ASP 837 CO 0.07 0.06 -0.01 -0.44 0.52 0.00 0.00 175.17 175.37 2x05 s SER 838 N 1.09 5.06 -0.07 -0.34 0.01 -1.26 -1.57 113.70 116.62 2x05 s SER 838 Ca 0.06 0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 2x05 s SER 838 Cb -0.14 -1.58 0.03 0.00 0.21 0.00 0.00 66.02 64.53 2x05 s SER 838 CO 0.04 0.29 -0.01 -0.54 0.41 0.00 0.00 173.24 173.43 2x05 s LYS 839 N -0.35 0.75 -0.23 12.44 -0.14 0.80 -4.96 119.74 128.05 2x05 s LYS 839 Ca 0.07 0.04 -0.29 0.00 -1.36 0.00 0.00 55.97 54.43 2x05 s LYS 839 Cb -0.12 -1.04 -0.03 0.00 -1.68 0.00 0.00 37.83 34.96 2x05 s LYS 839 CO 0.02 -0.28 1.86 0.08 -0.76 0.00 0.00 175.35 176.27 2x05 s VAL 840 N 1.83 3.39 0.26 3.17 1.01 -1.26 -0.23 120.40 128.57 2x05 s VAL 840 Ca 0.03 0.42 0.12 0.00 0.00 0.00 0.00 61.98 62.55 2x05 s VAL 840 Cb -0.12 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2x05 s VAL 840 CO -0.05 -0.24 -0.21 0.68 0.00 0.00 0.00 175.10 175.28 2x05 s VAL 841 N 6.46 2.46 0.00 2.92 -7.23 0.22 -0.91 120.40 124.31 2x05 s VAL 841 Ca 0.83 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2x05 s VAL 841 Cb -0.28 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2x05 s VAL 841 CO 0.33 -0.32 0.00 -0.90 -0.31 0.00 0.00 175.10 173.90 2x05 n ASP 842 N -0.38 0.00 0.21 4.85 5.68 -0.28 -1.14 116.55 125.49 2x05 n ASP 842 Ca -0.07 -0.91 0.09 0.00 -0.50 0.00 0.00 54.79 53.40 2x05 n ASP 842 Cb 0.59 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.01 2x05 n ASP 842 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2x05 h SER 843 N 0.00 0.00 0.61 -1.12 4.64 -1.90 -1.17 113.55 114.61 2x05 h SER 843 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x05 h SER 843 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2x05 h SER 843 CO 0.00 0.26 -0.12 0.00 -0.87 0.00 0.00 176.83 176.10 2x05 n ALA 844 N -2.25 2.70 -0.60 5.18 0.00 -1.26 -4.95 120.51 119.34 2x05 n ALA 844 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2x05 n ALA 844 Cb 0.44 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2x05 n ALA 844 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x05 n GLY 845 N 1.38 0.68 3.73 0.00 0.00 -0.44 -5.06 105.19 105.48 2x05 n GLY 845 Ca 0.11 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2x05 n GLY 845 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x05 s LYS 846 N -0.59 4.45 0.36 1.61 2.47 -1.26 -4.77 119.74 122.02 2x05 s LYS 846 Ca 0.00 0.96 -0.28 0.00 -1.56 0.00 0.00 55.97 55.08 2x05 s LYS 846 Cb 0.00 -3.42 -0.11 0.00 -1.46 0.00 0.00 37.83 32.84 2x05 s LYS 846 CO 0.00 0.13 1.50 -2.14 0.16 0.00 0.00 175.35 174.99 2x05 s PRO 847 N 0.55 4.12 -0.30 4.03 0.02 -1.26 -1.13 135.00 141.03 2x05 s PRO 847 Ca 0.39 2.56 -0.25 0.00 0.02 0.00 0.00 61.00 63.71 2x05 s PRO 847 Cb -0.19 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2x05 s PRO 847 CO 0.20 -0.53 0.87 0.08 -0.33 0.00 0.00 177.00 177.28 2x05 s VAL 848 N -0.93 4.73 0.03 3.83 1.01 -0.09 -4.85 120.40 124.13 2x05 s VAL 848 Ca 0.54 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.91 2x05 s VAL 848 Cb -0.46 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.68 2x05 s VAL 848 CO 0.60 -0.28 -0.06 -0.76 0.00 0.00 0.00 175.10 174.60 2x05 s LEU 849 N 3.11 2.22 0.72 3.92 1.43 -1.26 -4.35 118.68 124.46 2x05 s LEU 849 Ca 0.36 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 2x05 s LEU 849 Cb -0.14 -0.10 0.03 0.00 0.03 0.00 0.00 46.19 46.01 2x05 s LEU 849 CO 0.12 -0.20 1.10 -2.16 0.23 0.00 0.00 176.35 175.45 2x05 s PRO 850 N -1.36 2.53 -0.01 1.29 0.04 -1.26 -4.98 135.00 131.26 2x05 s PRO 850 Ca -0.10 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.15 2x05 s PRO 850 Cb -0.09 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2x05 s PRO 850 CO -0.00 -1.44 0.09 0.54 0.04 0.00 0.00 177.00 176.23 2x05 s VAL 851 N -2.65 0.06 -0.16 -0.36 0.11 -1.26 -4.63 120.40 111.50 2x05 s VAL 851 Ca 0.64 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2x05 s VAL 851 Cb -0.18 -0.29 0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2x05 s VAL 851 CO 0.49 -0.26 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.28 2x05 s GLU 852 N -0.83 2.04 -0.00 1.54 2.02 -0.45 -4.96 118.70 118.05 2x05 s GLU 852 Ca -0.09 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 2x05 s GLU 852 Cb -0.05 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 2x05 s GLU 852 CO 0.00 -0.33 0.15 -1.58 0.02 0.00 0.00 175.26 173.53 2x05 s TRP 853 N 1.49 3.47 0.35 1.61 0.52 -1.26 -0.39 118.94 124.73 2x05 s TRP 853 Ca 0.02 0.31 0.10 0.00 0.02 0.00 0.00 56.10 56.56 2x05 s TRP 853 Cb -0.14 -1.80 0.64 0.00 -1.15 0.00 0.00 33.47 31.02 2x05 s TRP 853 CO -0.09 0.62 1.79 -2.95 0.02 0.00 0.00 176.95 176.34 2x05 h ASN 854 N 3.86 0.10 -4.95 2.95 -1.07 -1.84 -3.47 115.58 111.16 2x05 h ASN 854 Ca -0.49 -0.04 0.10 0.00 0.07 0.00 0.00 56.30 55.95 2x05 h ASN 854 Cb 1.18 -0.03 -0.11 0.00 -2.07 0.00 0.00 38.32 37.29 2x05 h ASN 854 CO 0.67 0.46 0.41 -0.62 0.07 0.00 0.00 177.43 178.42 2x05 s ASP 855 N -6.91 -0.34 0.06 6.14 2.15 -1.26 -5.06 116.67 111.46 2x05 s ASP 855 Ca -0.04 -0.19 -0.18 0.00 0.43 0.00 0.00 52.55 52.58 2x05 s ASP 855 Cb 0.14 0.49 0.06 0.00 -0.30 0.00 0.00 42.92 43.32 2x05 s ASP 855 CO 0.74 -0.85 0.85 -3.20 -0.17 0.00 0.00 175.17 172.54 2x05 n ASN 856 N -0.36 -1.09 -3.77 -0.34 2.85 -1.26 -4.79 115.26 106.50 2x05 n ASN 856 Ca -0.09 -1.43 -0.27 0.00 -0.11 0.00 0.00 54.58 52.68 2x05 n ASN 856 Cb 0.62 1.74 0.02 0.00 1.24 0.00 0.00 39.78 43.39 2x05 n ASN 856 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2x05 n ALA 857 N -1.42 -2.25 -2.57 5.20 0.00 -1.06 -4.93 120.51 113.48 2x05 n ALA 857 Ca -0.09 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 52.86 2x05 n ALA 857 Cb 0.43 -2.79 -0.01 0.00 0.00 0.00 0.00 19.45 17.07 2x05 n ALA 857 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2x05 s VAL 858 N -3.68 5.06 -0.04 0.00 -7.23 -0.66 -4.53 120.40 109.32 2x05 s VAL 858 Ca 0.21 -0.24 0.06 0.00 -1.81 0.00 0.00 61.98 60.20 2x05 s VAL 858 Cb -0.07 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.02 2x05 s VAL 858 CO 0.86 -0.55 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.44 2x05 s SER 859 N -3.85 2.64 -0.04 4.85 0.01 -1.26 0.23 113.70 116.28 2x05 s SER 859 Ca 0.42 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.28 2x05 s SER 859 Cb -0.10 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.57 2x05 s SER 859 CO 0.36 0.23 -0.09 -0.76 0.41 0.00 0.00 173.24 173.39 2x05 s LEU 860 N -0.23 1.67 0.63 2.44 1.43 -0.35 -4.98 118.68 119.29 2x05 s LEU 860 Ca 0.01 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 2x05 s LEU 860 Cb -0.11 -0.58 0.02 0.00 0.03 0.00 0.00 46.19 45.54 2x05 s LEU 860 CO 0.02 0.04 0.95 0.26 0.23 0.00 0.00 176.35 177.85 2x05 s TRP 861 N 0.41 3.23 0.22 0.29 0.51 -1.26 0.12 118.94 122.47 2x05 s TRP 861 Ca -0.07 0.70 -0.32 0.00 -2.12 0.00 0.00 56.10 54.30 2x05 s TRP 861 Cb -0.11 -2.85 -0.14 0.00 -0.81 0.00 0.00 33.47 29.56 2x05 s TRP 861 CO 0.01 -0.96 1.43 -2.30 -0.51 0.00 0.00 176.95 174.63 2x05 n PRO 862 N -2.70 2.02 0.00 4.98 -0.02 -1.26 -1.25 135.00 136.77 2x05 n PRO 862 Ca 0.05 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2x05 n PRO 862 Cb 0.58 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2x05 n PRO 862 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x05 n GLY 863 N 2.38 2.45 3.69 -1.23 0.00 -0.58 -5.01 105.19 106.90 2x05 n GLY 863 Ca 0.13 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2x05 n GLY 863 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x05 n GLU 864 N 0.00 0.84 -4.17 1.61 1.02 -0.38 -4.72 120.64 114.84 2x05 n GLU 864 Ca 0.00 0.34 -0.16 0.00 -0.02 0.00 0.00 57.16 57.32 2x05 n GLU 864 Cb 0.00 -2.43 -0.12 0.00 -0.02 0.00 0.00 31.44 28.86 2x05 n GLU 864 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2x05 s THR 865 N -1.59 0.76 0.02 2.62 2.01 -1.26 -2.37 115.64 115.83 2x05 s THR 865 Ca 0.79 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2x05 s THR 865 Cb -0.36 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 2x05 s THR 865 CO 0.44 -0.18 -0.05 0.28 -0.69 0.00 0.00 174.62 174.42 2x05 s THR 866 N -1.04 0.30 -0.19 -0.82 -1.32 -0.11 -5.00 115.64 107.45 2x05 s THR 866 Ca -0.04 -0.60 -0.03 0.00 -1.21 0.00 0.00 61.69 59.80 2x05 s THR 866 Cb -0.08 -0.34 -0.01 0.00 -1.51 0.00 0.00 72.50 70.55 2x05 s THR 866 CO 0.01 -0.20 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.27 2x05 s THR 867 N -0.80 3.47 0.10 5.08 2.01 -1.26 -0.54 115.64 123.71 2x05 s THR 867 Ca -0.06 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.53 2x05 s THR 867 Cb -0.06 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2x05 s THR 867 CO -0.00 0.45 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.55 2x05 s LEU 868 N 1.04 3.15 -0.10 4.42 1.43 0.21 -4.94 118.68 123.88 2x05 s LEU 868 Ca 0.01 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2x05 s LEU 868 Cb -0.15 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2x05 s LEU 868 CO 0.00 0.18 -0.19 -0.89 0.23 0.00 0.00 176.35 175.68 2x05 s THR 869 N -1.24 1.71 -0.06 5.49 2.01 -1.26 0.01 115.64 122.30 2x05 s THR 869 Ca 0.22 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.48 2x05 s THR 869 Cb -0.11 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 2x05 s THR 869 CO 0.15 0.48 -0.24 0.00 -0.69 0.00 0.00 174.62 174.32 2x05 s ALA 870 N 0.63 2.19 -0.00 7.40 0.00 0.73 -2.14 121.76 130.57 2x05 s ALA 870 Ca -0.13 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.84 2x05 s ALA 870 Cb -0.16 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2x05 s ALA 870 CO 0.04 0.41 -0.18 0.21 0.00 0.00 0.00 175.76 176.23 2x05 s LYS 871 N -0.14 1.43 0.07 0.00 2.20 0.48 -0.85 119.74 122.93 2x05 s LYS 871 Ca -0.04 -0.71 -0.26 0.00 -0.36 0.00 0.00 55.97 54.60 2x05 s LYS 871 Cb -0.14 -1.42 0.08 0.00 -1.51 0.00 0.00 37.83 34.84 2x05 s LYS 871 CO 0.04 0.38 0.70 1.52 -0.36 0.00 0.00 175.35 177.63 2x05 s TYR 872 N -0.52 -0.51 0.10 4.03 -0.85 -0.97 -1.34 117.35 117.29 2x05 s TYR 872 Ca 0.07 0.44 -0.31 0.00 -0.52 0.00 0.00 57.07 56.75 2x05 s TYR 872 Cb -0.07 0.53 -0.09 0.00 0.38 0.00 0.00 41.96 42.71 2x05 s TYR 872 CO -0.00 -0.72 1.56 1.03 -1.52 0.00 0.00 175.55 175.90 2x05 s ARG 873 N -3.09 4.23 0.29 -3.49 0.52 -1.26 -0.64 118.95 115.51 2x05 s ARG 873 Ca -0.00 2.26 0.04 0.00 -0.52 0.00 0.00 55.73 57.52 2x05 s ARG 873 Cb -0.01 -3.39 0.73 0.00 0.52 0.00 0.00 34.95 32.80 2x05 s ARG 873 CO -0.08 -0.63 1.71 1.15 0.02 0.00 0.00 175.30 177.48 2x05 h THR 874 N 4.46 0.53 -0.02 0.02 2.02 -1.44 -1.54 112.91 116.94 2x05 h THR 874 Ca -0.42 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2x05 h THR 874 Cb 1.20 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2x05 h THR 874 CO 0.91 0.09 0.02 0.00 0.37 0.00 0.00 175.52 176.90 2x05 h ALA 875 N 1.69 1.67 0.00 6.16 0.00 -1.90 -2.04 119.26 124.83 2x05 h ALA 875 Ca 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2x05 h ALA 875 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2x05 h ALA 875 CO -0.49 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.48 2x05 n ASP 876 N -4.02 0.31 0.26 0.00 8.00 -0.58 -1.15 116.55 119.38 2x05 n ASP 876 Ca -0.03 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.15 2x05 n ASP 876 Cb 0.10 -0.63 0.70 0.00 -0.02 0.00 0.00 41.12 41.28 2x05 n ASP 876 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2x05 h LEU 877 N 0.00 0.00 -0.20 0.64 -0.00 -1.47 -3.45 115.31 110.83 2x05 h LEU 877 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.88 57.45 2x05 h LEU 877 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2x05 h LEU 877 CO 0.00 0.13 -0.67 0.29 -0.00 0.00 0.00 178.44 178.19 2x05 n LYS 878 N -3.63 -5.21 -0.13 1.13 5.02 -0.30 -2.12 118.16 112.91 2x05 n LYS 878 Ca -0.02 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2x05 n LYS 878 Cb 0.25 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.73 2x05 n LYS 878 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x05 n GLY 879 N -1.58 1.26 3.84 0.72 0.00 -1.26 -5.06 105.19 103.11 2x05 n GLY 879 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2x05 n GLY 879 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x05 s SER 880 N -2.98 6.76 0.45 1.61 0.15 -0.90 -5.05 113.70 113.74 2x05 s SER 880 Ca 0.00 1.42 -0.22 0.00 0.70 0.00 0.00 55.95 57.84 2x05 s SER 880 Cb 0.00 -2.43 -0.08 0.00 -1.71 0.00 0.00 66.02 61.80 2x05 s SER 880 CO 0.00 -0.34 1.09 -0.54 1.20 0.00 0.00 173.24 174.65 2x05 s LYS 881 N -3.33 3.89 0.28 5.44 1.02 -1.26 -4.87 119.74 120.90 2x05 s LYS 881 Ca 0.57 1.56 -0.28 0.00 0.02 0.00 0.00 55.97 57.83 2x05 s LYS 881 Cb -0.10 -2.35 -0.09 0.00 -0.52 0.00 0.00 37.83 34.77 2x05 s LYS 881 CO 0.20 -0.39 0.95 -1.25 -0.92 0.00 0.00 175.35 173.94 2x05 s PRO 882 N -2.80 4.73 0.36 -1.68 0.04 -1.26 -4.11 135.00 130.28 2x05 s PRO 882 Ca 0.63 1.43 0.05 0.00 0.04 0.00 0.00 61.00 63.15 2x05 s PRO 882 Cb -0.23 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2x05 s PRO 882 CO 0.28 0.40 0.04 -1.12 0.04 0.00 0.00 177.00 176.64 2x05 s SER 883 N -1.36 3.00 -0.13 6.66 0.01 -0.29 -1.45 113.70 120.14 2x05 s SER 883 Ca 0.45 -1.37 0.01 0.00 1.31 0.00 0.00 55.95 56.35 2x05 s SER 883 Cb -0.23 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.80 2x05 s SER 883 CO 0.29 -0.54 -0.15 -0.69 0.41 0.00 0.00 173.24 172.56 2x05 s VAL 884 N -3.05 1.56 -0.21 3.43 1.01 0.27 -0.61 120.40 122.79 2x05 s VAL 884 Ca 0.36 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 2x05 s VAL 884 Cb 0.09 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2x05 s VAL 884 CO 0.16 0.45 0.51 -0.60 0.00 0.00 0.00 175.10 175.63 2x05 s ARG 885 N 1.30 4.17 -0.21 2.72 3.52 0.68 -0.99 118.95 130.15 2x05 s ARG 885 Ca 0.01 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.01 2x05 s ARG 885 Cb -0.14 -3.57 0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2x05 s ARG 885 CO -0.07 -0.17 -0.15 0.42 -0.81 0.00 0.00 175.30 174.52 2x05 s ILE 886 N 1.71 1.97 0.03 4.11 1.01 0.17 -0.14 121.20 130.06 2x05 s ILE 886 Ca 0.23 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 59.79 2x05 s ILE 886 Cb -0.15 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 2x05 s ILE 886 CO 0.09 0.29 -0.15 -0.44 0.00 0.00 0.00 174.94 174.73 2x05 s SER 887 N 1.27 1.78 0.06 3.58 0.01 -0.61 -0.47 113.70 119.32 2x05 s SER 887 Ca -0.00 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.86 2x05 s SER 887 Cb -0.16 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 2x05 s SER 887 CO -0.09 0.09 -0.06 -0.83 0.41 0.00 0.00 173.24 172.76 2x05 s GLY 888 N -0.92 0.57 0.22 3.44 0.00 -0.75 0.20 107.32 110.08 2x05 s GLY 888 Ca 0.03 -1.04 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 2x05 s GLY 888 CO 0.01 -1.12 1.65 -0.25 0.00 0.00 0.00 173.10 173.39 2x05 h TRP 889 N 3.72 -0.07 0.00 1.90 2.91 -0.56 -3.18 115.95 120.67 2x05 h TRP 889 Ca -0.35 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.71 2x05 h TRP 889 Cb 1.18 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.94 2x05 h TRP 889 CO 0.61 -0.20 -0.35 0.27 -1.03 0.00 0.00 178.44 177.74 2x05 n ASN 890 N -5.31 1.81 0.00 2.65 6.94 -1.25 -4.67 115.26 115.42 2x05 n ASN 890 Ca 0.10 -3.36 0.00 0.00 -0.02 0.00 0.00 54.58 51.30 2x05 n ASN 890 Cb 0.39 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 2x05 n ASN 890 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2x05 n THR 891 N -1.07 0.08 -4.51 5.53 -2.24 -1.20 -0.52 114.28 110.36 2x05 n THR 891 Ca 0.16 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2x05 n THR 891 Cb 0.70 1.46 0.00 0.00 -2.10 0.00 0.00 70.33 70.40 2x05 n THR 891 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x05 n GLY 892 N -0.04 -1.04 3.16 3.38 0.00 -1.21 -4.70 105.19 104.73 2x05 n GLY 892 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 2x05 n GLY 892 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x05 s THR 893 N 0.00 1.65 0.03 2.61 2.01 -1.26 -1.81 115.64 118.88 2x05 s THR 893 Ca 0.00 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 2x05 s THR 893 Cb 0.00 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2x05 s THR 893 CO 0.00 0.47 -0.04 0.00 -0.69 0.00 0.00 174.62 174.36 2x05 s GLN 894 N 0.23 0.44 -0.09 4.92 -2.07 0.37 -4.99 119.66 118.48 2x05 s GLN 894 Ca -0.11 -0.84 0.04 0.00 -1.82 0.00 0.00 55.36 52.63 2x05 s GLN 894 Cb -0.15 0.10 0.00 0.00 -1.09 0.00 0.00 33.01 31.87 2x05 s GLN 894 CO 0.05 -0.06 -0.21 0.95 -1.32 0.00 0.00 175.29 174.69 2x05 s THR 895 N -2.31 1.86 -0.01 3.63 -4.23 -1.26 0.43 115.64 113.75 2x05 s THR 895 Ca -0.07 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.56 2x05 s THR 895 Cb -0.04 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 2x05 s THR 895 CO -0.04 0.52 -0.06 0.68 -0.54 0.00 0.00 174.62 175.17 2x05 s VAL 896 N 0.43 3.69 0.77 2.29 -7.23 -0.16 -4.93 120.40 115.26 2x05 s VAL 896 Ca -0.18 -0.69 -0.12 0.00 -1.81 0.00 0.00 61.98 59.18 2x05 s VAL 896 Cb -0.17 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 34.24 2x05 s VAL 896 CO 0.08 0.44 1.13 -2.16 -0.31 0.00 0.00 175.10 174.27 2x05 s PRO 897 N -1.28 2.12 0.00 4.82 0.04 -1.26 -0.57 135.00 138.87 2x05 s PRO 897 Ca 0.16 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2x05 s PRO 897 Cb -0.11 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2x05 s PRO 897 CO 0.06 -1.78 0.34 0.00 0.04 0.00 0.00 177.00 175.67 2x05 n ALA 898 N -3.26 0.70 0.00 8.56 0.00 -0.53 -4.36 120.51 121.62 2x05 n ALA 898 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2x05 n ALA 898 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2x05 n ALA 898 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25