#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i41 s ALA 51 N 0.00 -0.64 0.22 2.98 0.00 -1.26 -5.07 121.76 117.98 1i41 s ALA 51 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 1i41 s ALA 51 Cb 0.00 0.11 0.32 0.00 0.00 0.00 0.00 23.12 23.54 1i41 s ALA 51 CO 0.00 -0.26 1.75 0.66 0.00 0.00 0.00 175.76 177.92 1i41 h SER 52 N 3.92 0.31 0.00 0.00 4.64 -2.07 -2.36 113.55 118.00 1i41 h SER 52 Ca -0.30 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1i41 h SER 52 Cb 1.18 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1i41 h SER 52 CO 0.41 0.17 0.00 2.22 -0.87 0.00 0.00 176.83 178.76 1i41 n PHE 53 N -4.95 0.00 -3.33 4.77 1.16 -1.26 -4.19 117.46 109.66 1i41 n PHE 53 Ca 0.10 -0.19 -0.08 0.00 -1.87 0.00 0.00 57.45 55.40 1i41 n PHE 53 Cb 0.29 -0.14 -0.07 0.00 -1.61 0.00 0.00 39.48 37.94 1i41 n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i41 s LEU 54 N 0.00 -0.72 0.00 5.98 1.43 -0.89 -5.03 118.68 119.46 1i41 s LEU 54 Ca 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1i41 s LEU 54 Cb 0.00 1.18 0.00 0.00 0.03 0.00 0.00 46.19 47.40 1i41 s LEU 54 CO 0.00 -0.31 0.00 0.59 0.23 0.00 0.00 176.35 176.86 1i41 n ASN 55 N 5.37 4.57 -4.84 2.29 3.02 -1.26 -4.61 115.26 119.79 1i41 n ASN 55 Ca -0.02 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.16 1i41 n ASN 55 Cb 0.50 0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 40.50 1i41 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i41 s SER 56 N -1.88 6.85 0.11 6.41 0.15 -1.26 -5.01 113.70 119.06 1i41 s SER 56 Ca 0.00 1.03 -0.33 0.00 0.70 0.00 0.00 55.95 57.35 1i41 s SER 56 Cb 0.00 -2.27 -0.13 0.00 -1.71 0.00 0.00 66.02 61.91 1i41 s SER 56 CO 0.00 0.24 1.57 0.44 1.20 0.00 0.00 173.24 176.68 1i41 h ASP 57 N 4.22 -1.48 -0.94 5.45 3.32 -1.99 -2.49 116.42 122.51 1i41 h ASP 57 Ca -0.50 0.16 0.15 0.00 0.02 0.00 0.00 57.03 56.86 1i41 h ASP 57 Cb 1.21 0.55 -0.16 0.00 0.22 0.00 0.00 39.33 41.15 1i41 h ASP 57 CO 0.64 -0.54 -0.36 1.23 -1.72 0.00 0.00 179.24 178.50 1i41 h GLY 58 N -0.72 0.16 0.47 2.75 0.00 -1.99 1.02 103.07 104.77 1i41 h GLY 58 Ca 0.01 0.47 0.13 0.00 0.00 0.00 0.00 47.33 47.94 1i41 h GLY 58 CO -0.28 -0.23 0.61 1.76 0.00 0.00 0.00 176.54 178.39 1i41 h SER 59 N -0.02 0.82 0.58 0.19 0.02 -1.89 -1.93 113.55 111.32 1i41 h SER 59 Ca 0.35 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.32 1i41 h SER 59 Cb 0.61 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.04 1i41 h SER 59 CO -0.95 0.42 -0.28 0.58 -1.14 0.00 0.00 176.83 175.46 1i41 h VAL 60 N 0.88 0.24 -1.34 2.27 2.07 0.13 -2.39 116.25 118.11 1i41 h VAL 60 Ca 0.48 -0.37 0.47 0.00 0.82 0.00 0.00 66.70 68.11 1i41 h VAL 60 Cb 0.59 0.33 -0.14 0.00 -1.52 0.00 0.00 31.29 30.55 1i41 h VAL 60 CO -0.25 0.03 0.85 0.00 0.02 0.00 0.00 177.57 178.23 1i41 n ALA 61 N -2.62 1.33 -0.01 1.67 0.00 0.66 0.14 120.51 121.69 1i41 n ALA 61 Ca -0.11 0.88 -0.01 0.00 0.00 0.00 0.00 53.44 54.20 1i41 n ALA 61 Cb 0.34 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 1i41 n ALA 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1i41 h ILE 62 N 0.00 0.00 -0.19 0.00 2.04 -1.23 -3.39 117.51 114.74 1i41 h ILE 62 Ca 0.88 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1i41 h ILE 62 Cb 2.78 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1i41 h ILE 62 CO -0.49 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.07 1i41 n HIS 63 N -4.07 0.24 -1.67 1.37 8.25 -0.86 -4.90 115.22 113.59 1i41 n HIS 63 Ca -0.01 -0.12 -0.43 0.00 -0.26 0.00 0.00 57.72 56.90 1i41 n HIS 63 Cb 0.03 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 1i41 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i41 n ALA 64 N 0.58 1.56 -3.24 -1.41 0.00 0.38 -1.99 120.51 116.38 1i41 n ALA 64 Ca 0.17 0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 1i41 n ALA 64 Cb 0.40 -2.64 0.05 0.00 0.00 0.00 0.00 19.45 17.26 1i41 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i41 n GLY 65 N 4.48 -0.27 2.08 0.00 0.00 -1.26 -4.24 105.19 105.97 1i41 n GLY 65 Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1i41 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i41 n GLU 66 N -3.95 0.00 -0.34 1.61 1.02 -0.84 -4.80 120.64 113.33 1i41 n GLU 66 Ca -0.02 0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.34 1i41 n GLU 66 Cb 0.56 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.44 1i41 n GLU 66 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1i41 h ARG 67 N 0.00 0.42 0.00 3.49 9.65 -1.79 -1.11 114.38 125.04 1i41 h ARG 67 Ca 0.00 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 1i41 h ARG 67 Cb 0.00 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 1i41 h ARG 67 CO 0.00 0.28 -1.00 -0.07 2.80 0.00 0.00 179.97 181.97 1i41 h LEU 68 N 0.43 0.00 0.00 3.80 3.38 -1.93 -3.49 115.31 117.50 1i41 h LEU 68 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1i41 h LEU 68 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1i41 h LEU 68 CO -0.46 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1i41 n GLY 69 N 1.32 1.92 0.00 0.83 0.00 -0.42 -5.07 105.19 103.77 1i41 n GLY 69 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1i41 n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i41 n ARG 70 N -0.64 2.62 0.00 1.61 0.63 -1.26 -3.68 116.66 115.94 1i41 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1i41 n ARG 70 Cb 0.00 -0.76 0.00 0.00 0.45 0.00 0.00 32.46 32.15 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i41 n GLY 71 N 1.47 1.44 2.43 5.14 0.00 -1.26 -4.90 105.19 109.50 1i41 n GLY 71 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1i41 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i41 n ILE 72 N -2.00 1.00 -1.31 -0.61 3.06 -1.26 -5.10 119.36 113.15 1i41 n ILE 72 Ca 0.00 -4.63 -0.51 0.00 -2.50 0.00 0.00 62.75 55.10 1i41 n ILE 72 Cb 0.00 -2.03 -0.07 0.00 0.54 0.00 0.00 39.64 38.08 1i41 n ILE 72 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1i41 n VAL 73 N 1.39 0.00 -3.59 9.51 0.31 -1.26 -4.98 118.33 119.72 1i41 n VAL 73 Ca 0.26 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.45 1i41 n VAL 73 Cb 0.44 -0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 33.21 1i41 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i41 s THR 74 N 0.58 0.00 -0.34 2.52 -4.23 -1.26 -5.01 115.64 107.91 1i41 s THR 74 Ca 0.79 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.34 1i41 s THR 74 Cb -1.11 -1.00 0.44 0.00 1.34 0.00 0.00 72.50 72.17 1i41 s THR 74 CO 0.53 0.00 1.50 -0.90 -0.54 0.00 0.00 174.62 175.21 1i41 n ASP 75 N 1.69 3.58 -4.94 3.99 5.75 -1.26 -4.89 116.55 120.46 1i41 n ASP 75 Ca -0.14 -2.90 -0.24 0.00 -0.01 0.00 0.00 54.79 51.49 1i41 n ASP 75 Cb 0.56 -0.69 -0.02 0.00 -1.03 0.00 0.00 41.12 39.94 1i41 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i41 s ALA 76 N -2.05 3.80 -0.12 2.12 0.00 -1.26 -5.04 121.76 119.21 1i41 s ALA 76 Ca 0.35 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 1i41 s ALA 76 Cb 0.29 -1.97 -0.21 0.00 0.00 0.00 0.00 23.12 21.22 1i41 s ALA 76 CO 0.08 0.21 0.69 0.82 0.00 0.00 0.00 175.76 177.56 1i41 h ILE 77 N 1.15 1.45 -4.47 0.00 2.04 -2.04 -3.47 117.51 112.17 1i41 h ILE 77 Ca -0.50 -2.00 -0.48 0.00 1.00 0.00 0.00 64.86 62.89 1i41 h ILE 77 Cb 1.21 2.69 0.09 0.00 -0.74 0.00 0.00 36.82 40.08 1i41 h ILE 77 CO 0.64 0.48 0.39 0.42 0.00 0.00 0.00 178.15 180.07 1i41 s THR 78 N -2.32 2.49 -0.02 -0.27 -4.23 -1.26 -4.99 115.64 105.05 1i41 s THR 78 Ca -0.16 0.11 -0.27 0.00 -1.18 0.00 0.00 61.69 60.20 1i41 s THR 78 Cb -0.02 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1i41 s THR 78 CO 0.57 -0.19 0.84 -0.89 -0.54 0.00 0.00 174.62 174.42 1i41 s THR 79 N -3.47 4.91 0.07 3.99 2.01 -1.26 -5.03 115.64 116.86 1i41 s THR 79 Ca 0.60 1.77 -0.30 0.00 0.31 0.00 0.00 61.69 64.07 1i41 s THR 79 Cb -0.11 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1i41 s THR 79 CO 0.49 0.22 1.07 -2.16 -0.69 0.00 0.00 174.62 173.56 1i41 s PRO 80 N 0.77 4.54 -0.59 4.92 0.05 -1.26 -4.98 135.00 138.46 1i41 s PRO 80 Ca 0.45 1.60 -0.28 0.00 0.05 0.00 0.00 61.00 62.81 1i41 s PRO 80 Cb -0.20 -3.38 0.02 0.00 0.05 0.00 0.00 34.50 30.99 1i41 s PRO 80 CO 0.24 -0.07 1.36 0.08 0.05 0.00 0.00 177.00 178.66 1i41 s VAL 81 N 0.68 3.82 -0.42 -0.36 1.01 -1.26 -4.48 120.40 119.39 1i41 s VAL 81 Ca 0.53 0.69 -0.23 0.00 0.00 0.00 0.00 61.98 62.97 1i41 s VAL 81 Cb -0.26 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.60 1i41 s VAL 81 CO 0.30 -1.28 0.77 -0.69 0.00 0.00 0.00 175.10 174.20 1i41 s VAL 82 N 5.84 4.69 -1.09 2.92 1.01 -1.26 -4.97 120.40 127.54 1i41 s VAL 82 Ca 0.49 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.96 1i41 s VAL 82 Cb -0.10 -4.27 0.29 0.00 0.00 0.00 0.00 36.38 32.30 1i41 s VAL 82 CO 0.24 -0.61 1.24 0.59 0.00 0.00 0.00 175.10 176.56 1i41 n ASN 83 N 6.58 5.79 -4.17 3.32 3.02 -1.26 -4.74 115.26 123.80 1i41 n ASN 83 Ca 0.02 -3.19 -0.20 0.00 -0.03 0.00 0.00 54.58 51.19 1i41 n ASN 83 Cb 0.48 -1.32 -0.13 0.00 -0.61 0.00 0.00 39.78 38.21 1i41 n ASN 83 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i41 s THR 84 N -1.88 1.17 -2.04 3.41 -1.32 -1.26 -5.02 115.64 108.71 1i41 s THR 84 Ca 0.31 -1.21 0.23 0.00 -1.21 0.00 0.00 61.69 59.81 1i41 s THR 84 Cb -0.04 -1.10 0.02 0.00 -1.51 0.00 0.00 72.50 69.88 1i41 s THR 84 CO -0.01 -0.12 1.14 -1.54 -2.21 0.00 0.00 174.62 171.88 1i41 n SER 85 N 1.50 1.96 -3.56 8.08 3.41 -1.26 -4.73 113.62 119.02 1i41 n SER 85 Ca -0.20 -1.47 -0.08 0.00 -0.26 0.00 0.00 58.87 56.87 1i41 n SER 85 Cb 0.54 0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 1i41 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i41 s ALA 86 N -2.47 -1.75 0.02 7.33 0.00 -1.26 -2.61 121.76 121.02 1i41 s ALA 86 Ca 0.19 0.73 0.09 0.00 0.00 0.00 0.00 51.96 52.97 1i41 s ALA 86 Cb 0.18 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1i41 s ALA 86 CO 0.56 -0.79 -0.26 0.71 0.00 0.00 0.00 175.76 175.99 1i41 s TYR 87 N -3.23 2.27 0.57 0.00 1.51 -0.36 -4.92 117.35 113.19 1i41 s TYR 87 Ca 0.06 -0.42 0.09 0.00 -1.01 0.00 0.00 57.07 55.80 1i41 s TYR 87 Cb -0.01 -1.40 0.08 0.00 -0.11 0.00 0.00 41.96 40.52 1i41 s TYR 87 CO -0.06 0.06 0.73 -0.59 -1.11 0.00 0.00 175.55 174.57 1i41 s PHE 88 N -0.72 1.42 0.07 2.71 -0.12 -1.26 -4.76 117.98 115.32 1i41 s PHE 88 Ca 0.11 -0.75 0.03 0.00 -0.05 0.00 0.00 56.93 56.27 1i41 s PHE 88 Cb -0.10 -2.16 -0.03 0.00 -0.63 0.00 0.00 43.02 40.11 1i41 s PHE 88 CO 0.01 -1.05 -0.10 -0.06 -0.05 0.00 0.00 175.22 173.97 1i41 s PHE 89 N -2.69 0.91 -0.34 3.49 0.40 -1.26 -5.05 117.98 113.44 1i41 s PHE 89 Ca 0.57 -0.56 0.21 0.00 -0.60 0.00 0.00 56.93 56.56 1i41 s PHE 89 Cb -0.05 -0.52 0.20 0.00 0.51 0.00 0.00 43.02 43.16 1i41 s PHE 89 CO 0.36 -0.03 1.42 -0.91 0.70 0.00 0.00 175.22 176.76 1i41 h ASN 90 N 4.10 0.00 -3.47 1.36 2.35 -2.01 -3.47 115.58 114.45 1i41 h ASN 90 Ca -0.37 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.50 1i41 h ASN 90 Cb 1.19 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.30 1i41 h ASN 90 CO 0.45 0.11 0.64 -1.59 -1.65 0.00 0.00 177.43 175.39 1i41 s LYS 91 N -3.19 0.41 0.32 0.81 -2.85 -1.26 -5.03 119.74 108.95 1i41 s LYS 91 Ca 0.04 0.22 0.08 0.00 -1.00 0.00 0.00 55.97 55.31 1i41 s LYS 91 Cb 0.07 0.19 0.92 0.00 -2.06 0.00 0.00 37.83 36.95 1i41 s LYS 91 CO 0.71 -0.10 1.60 1.15 0.10 0.00 0.00 175.35 178.82 1i41 h THR 92 N 2.78 0.13 -0.61 3.79 2.02 -1.99 0.16 112.91 119.18 1i41 h THR 92 Ca -0.20 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.04 1i41 h THR 92 Cb 1.17 0.03 -0.11 0.00 -1.74 0.00 0.00 68.15 67.50 1i41 h THR 92 CO 0.23 0.02 -0.41 -1.28 0.37 0.00 0.00 175.52 174.45 1i41 h SER 93 N 0.09 -1.40 0.10 4.18 0.87 -2.00 -0.21 113.55 115.18 1i41 h SER 93 Ca 0.66 0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 61.46 1i41 h SER 93 Cb 1.49 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 64.11 1i41 h SER 93 CO -0.78 -0.32 -0.05 -0.33 -0.53 0.00 0.00 176.83 174.82 1i41 h GLU 94 N -0.19 -0.13 -0.92 2.24 5.08 -1.11 -2.39 114.58 117.17 1i41 h GLU 94 Ca 0.20 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.80 1i41 h GLU 94 Cb 0.56 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 1i41 h GLU 94 CO -0.70 -0.03 0.43 1.25 -1.00 0.00 0.00 179.01 178.96 1i41 h LEU 95 N -0.19 0.39 0.36 1.33 5.85 -0.94 0.27 115.31 122.38 1i41 h LEU 95 Ca -0.01 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1i41 h LEU 95 Cb 0.16 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1i41 h LEU 95 CO 0.02 0.00 -0.18 0.40 -0.34 0.00 0.00 178.44 178.35 1i41 h ILE 96 N 0.42 0.65 -0.80 4.05 2.04 -0.76 -0.46 117.51 122.65 1i41 h ILE 96 Ca 0.58 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 66.53 1i41 h ILE 96 Cb 1.12 0.67 -0.14 0.00 -0.74 0.00 0.00 36.82 37.73 1i41 h ILE 96 CO -0.53 0.01 -0.34 0.44 0.00 0.00 0.00 178.15 177.73 1i41 h ASP 97 N -0.51 -1.24 0.11 1.72 3.32 -0.02 0.54 116.42 120.33 1i41 h ASP 97 Ca -0.05 0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1i41 h ASP 97 Cb 0.39 0.65 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1i41 h ASP 97 CO 0.08 -0.29 -0.18 0.15 -1.72 0.00 0.00 179.24 177.28 1i41 h PHE 98 N -0.07 -0.46 -0.24 4.55 3.57 -0.85 0.18 116.94 123.62 1i41 h PHE 98 Ca 0.30 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.88 1i41 h PHE 98 Cb 0.58 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1i41 h PHE 98 CO -0.74 -0.26 0.21 0.87 -2.23 0.00 0.00 178.31 176.15 1i41 h LYS 99 N -0.35 0.00 -0.64 1.11 1.79 0.92 0.19 116.57 119.59 1i41 h LYS 99 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1i41 h LYS 99 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1i41 h LYS 99 CO -0.09 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.67 1i41 n GLU 100 N -4.12 3.38 -3.56 3.15 1.02 0.16 -4.94 120.64 115.73 1i41 n GLU 100 Ca 0.03 -2.40 -0.22 0.00 -0.02 0.00 0.00 57.16 54.55 1i41 n GLU 100 Cb 0.35 -1.83 0.08 0.00 -0.02 0.00 0.00 31.44 30.02 1i41 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i41 n LYS 101 N 0.87 -7.17 -0.00 3.49 4.01 0.67 -4.89 118.16 115.13 1i41 n LYS 101 Ca 0.22 0.81 0.01 0.00 -0.51 0.00 0.00 58.31 58.84 1i41 n LYS 101 Cb 0.79 -5.82 -0.02 0.00 -0.51 0.00 0.00 35.03 29.48 1i41 n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1i41 n ARG 102 N -4.63 5.42 -4.27 1.97 1.74 0.53 -5.00 116.66 112.42 1i41 n ARG 102 Ca -0.12 -0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.82 1i41 n ARG 102 Cb 0.60 -0.68 -0.10 0.00 -1.02 0.00 0.00 32.46 31.26 1i41 n ARG 102 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i41 s ARG 103 N -1.36 1.30 -0.11 5.56 3.52 -1.22 -4.87 118.95 121.77 1i41 s ARG 103 Ca 0.01 -1.69 0.02 0.00 -0.13 0.00 0.00 55.73 53.94 1i41 s ARG 103 Cb 0.02 -0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.31 1i41 s ARG 103 CO 0.11 -0.30 -0.18 0.00 -0.81 0.00 0.00 175.30 174.12 1i41 s ALA 104 N -3.87 2.43 -0.22 6.12 0.00 -1.26 -4.58 121.76 120.37 1i41 s ALA 104 Ca 0.36 -0.94 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 1i41 s ALA 104 Cb 0.07 -1.01 0.10 0.00 0.00 0.00 0.00 23.12 22.29 1i41 s ALA 104 CO 0.12 0.31 0.91 0.45 0.00 0.00 0.00 175.76 177.54 1i41 s SER 105 N 0.20 -0.53 0.31 0.00 0.15 -1.26 -5.02 113.70 107.56 1i41 s SER 105 Ca -0.11 0.88 0.25 0.00 0.70 0.00 0.00 55.95 57.67 1i41 s SER 105 Cb -0.16 0.85 0.62 0.00 -1.71 0.00 0.00 66.02 65.62 1i41 s SER 105 CO 0.06 -0.27 1.71 -0.26 1.20 0.00 0.00 173.24 175.68 1i41 h PHE 106 N 3.88 0.00 0.00 3.44 0.04 -1.95 -3.47 116.94 118.88 1i41 h PHE 106 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1i41 h PHE 106 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1i41 h PHE 106 CO 0.34 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 176.14 1i41 n GLU 107 N -2.63 0.00 -4.25 1.51 2.13 -1.26 -4.40 120.64 111.74 1i41 n GLU 107 Ca 0.05 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.58 1i41 n GLU 107 Cb 0.47 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.08 1i41 n GLU 107 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1i41 s TYR 108 N 0.00 2.70 0.34 4.31 5.04 -1.26 -1.22 117.35 127.26 1i41 s TYR 108 Ca 0.00 -0.18 0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1i41 s TYR 108 Cb 0.00 -1.38 0.60 0.00 0.35 0.00 0.00 41.96 41.53 1i41 s TYR 108 CO 0.00 0.45 1.99 0.78 -1.34 0.00 0.00 175.55 177.43 1i41 h GLY 109 N 3.39 0.90 1.91 8.97 0.00 -1.71 -1.46 103.07 115.08 1i41 h GLY 109 Ca -0.48 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1i41 h GLY 109 CO 0.52 0.35 0.00 -2.13 0.00 0.00 0.00 176.54 175.28 1i41 n ARG 110 N -4.42 0.02 -0.02 4.80 0.63 -1.26 -2.00 116.66 114.41 1i41 n ARG 110 Ca 0.06 0.34 0.06 0.00 -0.92 0.00 0.00 57.85 57.40 1i41 n ARG 110 Cb 0.06 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.32 1i41 n ARG 110 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1i41 n TYR 111 N -1.46 0.00 0.00 -0.14 4.01 -0.56 -4.75 117.16 114.27 1i41 n TYR 111 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1i41 n TYR 111 Cb 0.08 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1i41 n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 112 N 1.50 0.93 3.53 2.72 0.00 -0.85 -5.01 105.19 108.00 1i41 n GLY 112 Ca -0.08 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1i41 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i41 s ASN 113 N 0.00 -0.76 0.40 1.61 3.84 -1.26 -4.40 114.94 114.36 1i41 s ASN 113 Ca 0.00 1.30 0.09 0.00 0.21 0.00 0.00 52.86 54.46 1i41 s ASN 113 Cb 0.00 1.22 0.87 0.00 -0.55 0.00 0.00 41.25 42.79 1i41 s ASN 113 CO 0.00 -0.22 1.97 1.55 -2.79 0.00 0.00 177.10 177.61 1i41 h PRO 114 N 6.40 0.57 0.00 0.43 0.13 -1.96 -0.38 132.00 137.20 1i41 h PRO 114 Ca -0.31 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1i41 h PRO 114 Cb 1.20 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1i41 h PRO 114 CO 0.17 0.38 0.00 -2.37 -0.23 0.00 0.00 178.00 175.95 1i41 n THR 115 N -4.48 0.48 -0.11 1.56 5.66 -1.26 -3.89 114.28 112.23 1i41 n THR 115 Ca 0.10 -0.15 -0.24 0.00 -3.05 0.00 0.00 64.05 60.71 1i41 n THR 115 Cb 0.28 -0.63 -0.11 0.00 -1.55 0.00 0.00 70.33 68.32 1i41 n THR 115 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i41 n THR 116 N -2.04 1.56 -0.34 1.09 -1.04 -0.28 -4.34 114.28 108.89 1i41 n THR 116 Ca 0.06 -0.41 0.29 0.00 -2.04 0.00 0.00 64.05 61.95 1i41 n THR 116 Cb 0.38 -1.76 0.62 0.00 -1.82 0.00 0.00 70.33 67.75 1i41 n THR 116 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1i41 h VAL 117 N -0.57 0.43 0.42 12.58 -1.51 -1.33 0.73 116.25 127.01 1i41 h VAL 117 Ca -0.56 -0.07 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 1i41 h VAL 117 Cb 1.70 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 1i41 h VAL 117 CO -0.22 0.04 -0.42 0.58 -1.23 0.00 0.00 177.57 176.32 1i41 h VAL 118 N 0.20 0.00 -0.88 7.19 2.07 -1.76 0.22 116.25 123.29 1i41 h VAL 118 Ca 0.61 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.29 1i41 h VAL 118 Cb 1.93 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.60 1i41 h VAL 118 CO -0.19 0.00 0.46 0.25 0.02 0.00 0.00 177.57 178.11 1i41 h LEU 119 N -0.84 0.55 0.14 2.57 5.85 -1.13 0.19 115.31 122.63 1i41 h LEU 119 Ca -0.05 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1i41 h LEU 119 Cb 0.73 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1i41 h LEU 119 CO -0.05 0.20 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.58 1i41 h GLU 120 N 0.62 -0.55 -0.69 1.25 5.08 -0.09 -1.02 114.58 119.18 1i41 h GLU 120 Ca 0.50 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.86 1i41 h GLU 120 Cb 0.75 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1i41 h GLU 120 CO -0.39 -0.37 0.29 0.93 -1.00 0.00 0.00 179.01 178.47 1i41 h GLU 121 N -0.57 1.03 0.22 2.33 5.08 0.36 -1.45 114.58 121.58 1i41 h GLU 121 Ca 0.03 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1i41 h GLU 121 Cb 0.59 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1i41 h GLU 121 CO -0.19 0.85 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.94 1i41 h LYS 122 N 0.99 -0.79 -0.96 2.33 3.64 -0.23 0.14 116.57 121.69 1i41 h LYS 122 Ca 0.23 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1i41 h LYS 122 Cb 0.20 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 1i41 h LYS 122 CO -0.02 -0.53 0.63 0.82 -2.27 0.00 0.00 179.45 178.08 1i41 h ILE 123 N -0.82 1.18 -0.20 2.00 2.04 -1.15 -1.60 117.51 118.96 1i41 h ILE 123 Ca -0.02 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.48 1i41 h ILE 123 Cb 0.79 -0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1i41 h ILE 123 CO -0.23 0.22 -0.29 0.28 0.00 0.00 0.00 178.15 178.13 1i41 h SER 124 N 1.23 -0.93 -0.41 1.72 0.02 -0.27 -0.06 113.55 114.85 1i41 h SER 124 Ca 0.37 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.54 1i41 h SER 124 Cb -0.03 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 1i41 h SER 124 CO -0.11 -0.33 0.05 0.00 -1.14 0.00 0.00 176.83 175.31 1i41 h ALA 125 N 0.60 0.42 0.46 3.77 0.00 0.01 0.37 119.26 124.88 1i41 h ALA 125 Ca 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 125 Cb 0.51 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1i41 h ALA 125 CO -0.39 -0.35 -0.52 -0.07 0.00 0.00 0.00 179.25 177.93 1i41 h LEU 126 N 0.17 -1.44 0.00 0.00 3.38 -0.30 -1.44 115.31 115.68 1i41 h LEU 126 Ca 0.20 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1i41 h LEU 126 Cb 0.27 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1i41 h LEU 126 CO -0.29 -0.66 0.00 -0.62 0.09 0.00 0.00 178.44 176.95 1i41 n GLU 127 N -5.55 0.09 -3.00 1.13 -0.58 -0.16 -4.85 120.64 107.72 1i41 n GLU 127 Ca -0.12 0.19 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 1i41 n GLU 127 Cb 0.46 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.87 1i41 n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i41 n GLY 128 N 0.12 -0.03 3.97 0.62 0.00 0.80 -4.70 105.19 105.96 1i41 n GLY 128 Ca 0.05 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1i41 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 129 N -3.09 3.85 0.02 4.61 0.00 0.94 -4.98 121.76 123.11 1i41 s ALA 129 Ca 0.29 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 1i41 s ALA 129 Cb -0.13 -2.10 -0.30 0.00 0.00 0.00 0.00 23.12 20.59 1i41 s ALA 129 CO 0.36 -0.65 0.95 1.49 0.00 0.00 0.00 175.76 177.91 1i41 h GLU 130 N 0.16 0.34 -2.09 0.00 4.81 -1.83 -3.42 114.58 112.55 1i41 h GLU 130 Ca -0.43 -0.58 -0.02 0.00 -0.13 0.00 0.00 59.36 58.20 1i41 h GLU 130 Cb 1.28 0.21 -0.18 0.00 0.63 0.00 0.00 28.75 30.69 1i41 h GLU 130 CO 0.54 1.24 0.27 0.45 -0.73 0.00 0.00 179.01 180.77 1i41 s SER 131 N -7.20 -0.58 0.11 1.04 0.15 -0.87 -4.82 113.70 101.52 1i41 s SER 131 Ca -0.08 0.53 0.05 0.00 0.70 0.00 0.00 55.95 57.14 1i41 s SER 131 Cb 0.06 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 1i41 s SER 131 CO 0.88 -0.62 -0.12 -0.89 1.20 0.00 0.00 173.24 173.70 1i41 s THR 132 N -1.64 1.10 0.18 6.45 2.01 -1.26 -1.58 115.64 120.89 1i41 s THR 132 Ca -0.07 -1.67 0.09 0.00 0.31 0.00 0.00 61.69 60.36 1i41 s THR 132 Cb -0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1i41 s THR 132 CO 0.04 -0.50 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.06 1i41 s LEU 133 N -2.44 2.45 -0.18 4.42 2.96 0.22 -4.88 118.68 121.22 1i41 s LEU 133 Ca 0.07 -0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 53.08 1i41 s LEU 133 Cb -0.04 -0.92 0.05 0.00 0.50 0.00 0.00 46.19 45.79 1i41 s LEU 133 CO 0.01 0.00 0.01 -0.76 -1.32 0.00 0.00 176.35 174.30 1i41 s LEU 134 N -2.73 1.31 0.00 -0.68 1.43 -1.26 -1.44 118.68 115.30 1i41 s LEU 134 Ca 0.18 -0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1i41 s LEU 134 Cb -0.06 -0.68 0.05 0.00 0.03 0.00 0.00 46.19 45.53 1i41 s LEU 134 CO 0.08 -0.27 0.32 0.23 0.23 0.00 0.00 176.35 176.94 1i41 n MET 135 N 5.00 0.35 0.19 1.70 2.81 -0.32 -4.22 117.12 122.63 1i41 n MET 135 Ca -0.09 -0.86 0.12 0.00 -1.81 0.00 0.00 57.70 55.06 1i41 n MET 135 Cb 0.47 -0.22 0.12 0.00 -0.71 0.00 0.00 33.22 32.88 1i41 n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i41 h ALA 136 N -0.57 0.86 -2.16 3.04 0.00 -1.24 -2.71 119.26 116.49 1i41 h ALA 136 Ca -0.11 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1i41 h ALA 136 Cb 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.01 1i41 h ALA 136 CO 0.11 0.02 0.44 -1.54 0.00 0.00 0.00 179.25 178.29 1i41 s SER 137 N -6.00 -0.42 0.13 0.00 1.04 -1.26 -3.18 113.70 104.01 1i41 s SER 137 Ca 0.05 0.18 -0.33 0.00 0.48 0.00 0.00 55.95 56.33 1i41 s SER 137 Cb 0.06 0.41 -0.10 0.00 0.10 0.00 0.00 66.02 66.48 1i41 s SER 137 CO 0.70 -0.59 1.56 1.23 0.98 0.00 0.00 173.24 177.12 1i41 h GLY 138 N 2.25 -0.98 -0.87 7.32 0.00 -1.84 -1.23 103.07 107.72 1i41 h GLY 138 Ca -0.23 0.66 0.17 0.00 0.00 0.00 0.00 47.33 47.93 1i41 h GLY 138 CO 0.33 -0.18 -0.28 -0.33 0.00 0.00 0.00 176.54 176.07 1i41 h MET 139 N -0.51 -0.01 -0.57 4.80 2.86 -1.94 0.23 114.93 119.79 1i41 h MET 139 Ca 0.06 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.78 1i41 h MET 139 Cb 0.65 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.21 1i41 h MET 139 CO -0.48 -0.01 -0.44 0.00 1.06 0.00 0.00 176.91 177.04 1i41 h ALA 141 N 0.60 -0.47 -0.73 0.00 0.00 -0.28 0.62 119.26 119.00 1i41 h ALA 141 Ca 0.18 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.21 1i41 h ALA 141 Cb 0.56 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 1i41 h ALA 141 CO -0.68 -0.51 -0.27 0.77 0.00 0.00 0.00 179.25 178.57 1i41 h SER 142 N -0.08 -0.96 -0.01 0.00 0.02 -1.11 0.52 113.55 111.94 1i41 h SER 142 Ca 0.01 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1i41 h SER 142 Cb 0.10 0.54 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1i41 h SER 142 CO -0.07 -0.28 -0.02 0.74 -1.14 0.00 0.00 176.83 176.06 1i41 h THR 143 N -0.06 0.00 -0.24 -2.27 2.02 0.22 -0.03 112.91 112.55 1i41 h THR 143 Ca 0.32 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.55 1i41 h THR 143 Cb 0.56 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.90 1i41 h THR 143 CO -0.77 0.00 -0.42 0.58 0.37 0.00 0.00 175.52 175.28 1i41 h VAL 144 N -0.02 0.14 -0.77 3.16 2.07 0.12 -1.86 116.25 119.08 1i41 h VAL 144 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1i41 h VAL 144 Cb 0.03 0.14 -0.14 0.00 -1.52 0.00 0.00 31.29 29.79 1i41 h VAL 144 CO -0.02 0.00 -0.28 -0.03 0.02 0.00 0.00 177.57 177.26 1i41 h MET 145 N -0.42 -0.05 0.84 1.57 4.05 0.24 0.33 114.93 121.48 1i41 h MET 145 Ca 0.10 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1i41 h MET 145 Cb 0.61 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1i41 h MET 145 CO -0.47 -0.04 -0.41 -0.07 0.23 0.00 0.00 176.91 176.16 1i41 h LEU 146 N -0.06 -0.99 -1.82 3.39 3.38 -0.49 0.08 115.31 118.81 1i41 h LEU 146 Ca 0.33 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.50 1i41 h LEU 146 Cb 0.58 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1i41 h LEU 146 CO -0.81 -0.69 0.61 -0.07 0.09 0.00 0.00 178.44 177.57 1i41 h LEU 147 N -1.14 0.00 0.17 1.67 3.38 -0.69 -0.71 115.31 117.99 1i41 h LEU 147 Ca -0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.52 1i41 h LEU 147 Cb 0.88 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.63 1i41 h LEU 147 CO 0.18 0.00 -1.66 0.00 0.09 0.00 0.00 178.44 177.05 1i41 h ALA 148 N 1.33 0.16 0.08 1.53 0.00 0.16 -3.42 119.26 119.10 1i41 h ALA 148 Ca 0.27 -1.13 -0.37 0.00 0.00 0.00 0.00 54.91 53.68 1i41 h ALA 148 Cb 1.48 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1i41 h ALA 148 CO -0.00 0.97 -2.17 1.28 0.00 0.00 0.00 179.25 179.33 1i41 n LEU 149 N -3.68 2.69 -4.63 0.00 4.77 -0.03 -4.87 117.00 111.25 1i41 n LEU 149 Ca -0.25 0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 1i41 n LEU 149 Cb 1.03 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1i41 n LEU 149 CO 0.48 0.87 1.10 -0.69 -1.33 0.00 0.00 177.39 177.82 1i41 s VAL 150 N -2.55 4.21 1.02 4.08 1.01 -0.34 -5.02 120.40 122.81 1i41 s VAL 150 Ca -0.26 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.97 1i41 s VAL 150 Cb 0.07 -4.21 0.20 0.00 0.00 0.00 0.00 36.38 32.44 1i41 s VAL 150 CO 0.71 -0.48 1.09 -2.84 0.00 0.00 0.00 175.10 173.57 1i41 s PRO 151 N 4.07 0.26 0.38 2.72 0.02 -1.26 -4.79 135.00 136.40 1i41 s PRO 151 Ca 0.54 0.56 -0.27 0.00 0.02 0.00 0.00 61.00 61.86 1i41 s PRO 151 Cb -0.16 -1.71 -0.09 0.00 0.02 0.00 0.00 34.50 32.56 1i41 s PRO 151 CO 0.22 -2.86 1.32 0.00 -0.33 0.00 0.00 177.00 175.35 1i41 s ALA 152 N -2.90 3.35 0.00 -1.55 0.00 -1.26 -2.08 121.76 117.32 1i41 s ALA 152 Ca 0.66 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1i41 s ALA 152 Cb -0.19 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1i41 s ALA 152 CO 0.58 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1i41 n GLY 153 N 0.69 1.33 3.49 0.00 0.00 0.15 -4.92 105.19 105.93 1i41 n GLY 153 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1i41 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 154 N -2.00 1.52 0.08 -0.02 0.00 -0.88 -4.52 107.32 101.50 1i41 s GLY 154 Ca 0.00 -0.44 0.09 0.00 0.00 0.00 0.00 44.72 44.37 1i41 s GLY 154 CO 0.00 0.36 -0.22 -1.58 0.00 0.00 0.00 173.10 171.66 1i41 s HIS 155 N -2.56 2.45 0.08 1.90 5.65 -1.26 -1.66 115.29 119.89 1i41 s HIS 155 Ca 0.68 -0.32 0.03 0.00 0.25 0.00 0.00 55.06 55.70 1i41 s HIS 155 Cb -0.20 -1.37 -0.03 0.00 -1.18 0.00 0.00 32.58 29.80 1i41 s HIS 155 CO 0.61 0.29 -0.09 -1.50 -0.65 0.00 0.00 174.74 173.40 1i41 s ILE 156 N -1.00 0.74 -0.09 0.89 2.07 -0.22 -0.46 121.20 123.14 1i41 s ILE 156 Ca 0.15 -1.49 0.02 0.00 -1.41 0.00 0.00 60.65 57.91 1i41 s ILE 156 Cb -0.10 -1.15 0.01 0.00 0.13 0.00 0.00 42.46 41.35 1i41 s ILE 156 CO 0.06 -0.56 -0.13 -0.69 -1.91 0.00 0.00 174.94 171.71 1i41 s VAL 157 N -2.29 1.31 0.31 4.00 1.01 -0.72 -0.89 120.40 123.13 1i41 s VAL 157 Ca 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1i41 s VAL 157 Cb -0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1i41 s VAL 157 CO -0.01 0.40 0.15 0.42 0.00 0.00 0.00 175.10 176.06 1i41 s THR 158 N 0.90 0.42 0.72 3.92 -4.23 -0.74 0.40 115.64 117.03 1i41 s THR 158 Ca -0.09 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 1i41 s THR 158 Cb -0.15 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.31 1i41 s THR 158 CO 0.00 0.00 0.99 0.35 -0.54 0.00 0.00 174.62 175.43 1i41 n THR 159 N -0.61 0.00 -0.00 3.99 -2.24 -1.25 -1.57 114.28 112.60 1i41 n THR 159 Ca 0.00 -1.54 -0.08 0.00 -2.27 0.00 0.00 64.05 60.16 1i41 n THR 159 Cb 0.65 -0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 67.84 1i41 n THR 159 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1i41 h THR 160 N -0.63 0.98 -0.38 4.28 1.35 -1.60 -3.38 112.91 113.54 1i41 h THR 160 Ca -0.33 -2.78 -0.25 0.00 -0.55 0.00 0.00 66.41 62.50 1i41 h THR 160 Cb 1.20 2.47 -0.10 0.00 -1.73 0.00 0.00 68.15 70.00 1i41 h THR 160 CO 0.35 0.56 0.17 0.47 -0.25 0.00 0.00 175.52 176.82 1i41 n ASP 161 N -3.09 5.98 -4.74 5.36 9.92 -1.26 -4.94 116.55 123.78 1i41 n ASP 161 Ca -0.13 -2.82 -0.30 0.00 -0.53 0.00 0.00 54.79 51.00 1i41 n ASP 161 Cb 1.02 -1.17 0.12 0.00 -0.64 0.00 0.00 41.12 40.44 1i41 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i41 s TYR 163 N -2.92 3.60 0.00 0.00 5.04 -1.26 -4.85 117.35 116.95 1i41 s TYR 163 Ca 0.62 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.86 1i41 s TYR 163 Cb -0.17 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 39.02 1i41 s TYR 163 CO 0.56 -0.08 0.00 -2.13 -1.34 0.00 0.00 175.55 172.57 1i41 n ARG 164 N 4.29 0.00 -0.09 4.97 3.00 -1.26 -0.67 116.66 126.90 1i41 n ARG 164 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.85 1i41 n ARG 164 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1i41 n ARG 164 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1i41 h LYS 165 N 0.00 0.04 -1.00 -0.14 6.56 -1.97 -0.69 116.57 119.37 1i41 h LYS 165 Ca 0.00 -0.00 0.26 0.00 -1.06 0.00 0.00 60.65 59.85 1i41 h LYS 165 Cb 0.00 -0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 31.52 1i41 h LYS 165 CO 0.00 0.03 0.59 1.15 -2.06 0.00 0.00 179.45 179.16 1i41 h THR 166 N 0.04 0.48 0.66 -0.16 2.02 -1.29 -0.90 112.91 113.76 1i41 h THR 166 Ca 0.15 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1i41 h THR 166 Cb 0.22 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1i41 h THR 166 CO -0.29 0.10 -0.35 -0.09 0.37 0.00 0.00 175.52 175.25 1i41 h ARG 167 N 0.52 -0.90 -0.79 6.66 9.65 -0.35 -2.97 114.38 126.21 1i41 h ARG 167 Ca 0.67 0.06 0.15 0.00 -1.10 0.00 0.00 59.98 59.76 1i41 h ARG 167 Cb 1.33 0.20 -0.15 0.00 -1.39 0.00 0.00 29.97 29.97 1i41 h ARG 167 CO -0.50 -0.60 -0.22 0.82 2.80 0.00 0.00 179.97 182.27 1i41 h ILE 168 N -0.93 0.20 -0.12 1.20 2.04 -0.80 0.62 117.51 119.71 1i41 h ILE 168 Ca -0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1i41 h ILE 168 Cb 0.73 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1i41 h ILE 168 CO 0.13 0.00 -0.47 0.15 0.00 0.00 0.00 178.15 177.95 1i41 h PHE 169 N -0.01 -1.38 -0.44 1.37 3.57 -1.33 0.96 116.94 119.68 1i41 h PHE 169 Ca 0.37 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.99 1i41 h PHE 169 Cb 0.58 0.62 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1i41 h PHE 169 CO -0.64 -0.51 0.30 0.82 -2.23 0.00 0.00 178.31 176.05 1i41 h ILE 170 N -0.54 0.95 0.00 1.41 2.04 -1.02 0.12 117.51 120.46 1i41 h ILE 170 Ca 0.06 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1i41 h ILE 170 Cb 0.66 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1i41 h ILE 170 CO -0.41 0.06 -0.95 -0.62 0.00 0.00 0.00 178.15 176.22 1i41 n GLU 171 N -4.47 0.50 -0.00 2.37 1.02 0.08 -4.29 120.64 115.84 1i41 n GLU 171 Ca 0.06 0.09 -0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1i41 n GLU 171 Cb 0.27 -1.76 -0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1i41 n GLU 171 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i41 n THR 172 N -2.45 0.03 -0.05 2.62 -2.24 0.32 -4.74 114.28 107.77 1i41 n THR 172 Ca 0.01 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1i41 n THR 172 Cb 0.51 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 1i41 n THR 172 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1i41 h ILE 173 N 0.00 0.00 -0.99 2.28 1.08 -0.90 -3.39 117.51 115.58 1i41 h ILE 173 Ca -0.01 -0.73 0.37 0.00 -0.39 0.00 0.00 64.86 64.10 1i41 h ILE 173 Cb 1.02 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.60 1i41 h ILE 173 CO -0.00 0.00 0.49 -0.07 -0.69 0.00 0.00 178.15 177.88 1i41 h LEU 174 N -0.73 0.29 -2.07 1.44 3.38 -1.68 0.75 115.31 116.70 1i41 h LEU 174 Ca 0.00 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1i41 h LEU 174 Cb 0.24 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1i41 h LEU 174 CO 0.00 -0.33 0.15 1.55 0.09 0.00 0.00 178.44 179.90 1i41 h PRO 175 N 0.11 0.00 -0.02 1.13 0.13 -1.75 0.22 132.00 131.82 1i41 h PRO 175 Ca 0.78 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.91 1i41 h PRO 175 Cb 1.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 33.07 1i41 h PRO 175 CO -0.73 0.00 0.02 0.87 -0.23 0.00 0.00 178.00 177.93 1i41 h LYS 176 N 0.00 0.00 -0.65 0.86 1.57 0.34 0.61 116.57 119.30 1i41 h LYS 176 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1i41 h LYS 176 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1i41 h LYS 176 CO -0.00 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.55 1i41 n MET 177 N -3.87 2.73 -1.18 3.15 2.81 0.71 -4.90 117.12 116.58 1i41 n MET 177 Ca -0.03 -2.40 -0.06 0.00 -1.81 0.00 0.00 57.70 53.40 1i41 n MET 177 Cb 0.10 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 1i41 n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i41 n GLY 178 N 1.43 0.81 3.55 3.03 0.00 0.21 0.34 105.19 114.57 1i41 n GLY 178 Ca 0.22 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1i41 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i41 s ILE 179 N -2.05 4.46 0.26 -0.61 1.01 -0.94 -3.30 121.20 120.03 1i41 s ILE 179 Ca 0.00 0.52 -0.07 0.00 0.00 0.00 0.00 60.65 61.11 1i41 s ILE 179 Cb 0.00 -4.46 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 1i41 s ILE 179 CO 0.00 -0.93 0.55 0.28 0.00 0.00 0.00 174.94 174.84 1i41 s THR 180 N 3.77 4.99 0.08 2.92 -1.32 -0.66 -3.73 115.64 121.68 1i41 s THR 180 Ca 0.34 0.23 0.03 0.00 -1.21 0.00 0.00 61.69 61.07 1i41 s THR 180 Cb -0.11 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.16 1i41 s THR 180 CO 0.23 -0.21 -0.08 0.00 -2.21 0.00 0.00 174.62 172.35 1i41 s ALA 181 N -1.96 0.90 -0.16 11.08 0.00 -1.26 -1.05 121.76 129.30 1i41 s ALA 181 Ca 0.45 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1i41 s ALA 181 Cb -0.11 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1i41 s ALA 181 CO 0.26 -0.09 -0.17 0.99 0.00 0.00 0.00 175.76 176.75 1i41 s THR 182 N -2.47 2.49 -0.42 0.00 2.01 -0.07 -4.95 115.64 112.24 1i41 s THR 182 Ca 0.02 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 1i41 s THR 182 Cb -0.03 -2.05 0.06 0.00 0.01 0.00 0.00 72.50 70.49 1i41 s THR 182 CO -0.01 0.52 0.29 -0.69 -0.69 0.00 0.00 174.62 174.03 1i41 s VAL 183 N 0.93 4.72 0.31 3.82 1.01 -1.26 -1.79 120.40 128.14 1i41 s VAL 183 Ca -0.03 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1i41 s VAL 183 Cb -0.15 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1i41 s VAL 183 CO -0.03 -0.43 0.16 0.27 0.00 0.00 0.00 175.10 175.07 1i41 s ILE 184 N 1.55 3.42 0.35 2.22 -4.36 -0.61 -4.82 121.20 118.94 1i41 s ILE 184 Ca 0.03 -1.61 -0.26 0.00 -0.26 0.00 0.00 60.65 58.55 1i41 s ILE 184 Cb -0.22 -3.06 -0.09 0.00 1.25 0.00 0.00 42.46 40.33 1i41 s ILE 184 CO 0.05 -0.24 1.01 -0.62 0.24 0.00 0.00 174.94 175.39 1i41 s ASP 185 N -3.85 7.09 0.28 4.36 2.15 -1.26 -1.53 116.67 123.91 1i41 s ASP 185 Ca 0.37 1.99 0.01 0.00 0.43 0.00 0.00 52.55 55.35 1i41 s ASP 185 Cb -0.05 -2.59 0.64 0.00 -0.30 0.00 0.00 42.92 40.62 1i41 s ASP 185 CO 0.23 -0.25 1.69 -0.65 -0.17 0.00 0.00 175.17 176.02 1i41 h PRO 186 N 3.02 0.33 0.01 4.34 0.11 -1.94 -2.61 132.00 135.26 1i41 h PRO 186 Ca -0.47 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1i41 h PRO 186 Cb 1.20 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.25 1i41 h PRO 186 CO 0.64 0.22 -0.38 0.00 -0.21 0.00 0.00 178.00 178.27 1i41 h ALA 187 N 1.69 0.03 -0.05 -0.75 0.00 -1.92 -3.43 119.26 114.81 1i41 h ALA 187 Ca 0.51 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1i41 h ALA 187 Cb 0.95 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1i41 h ALA 187 CO -0.54 0.18 0.66 -3.47 0.00 0.00 0.00 179.25 176.08 1i41 n ASP 188 N -4.40 -0.45 0.20 0.00 -0.08 -0.99 -4.68 116.55 106.15 1i41 n ASP 188 Ca -0.10 -1.73 0.08 0.00 -1.51 0.00 0.00 54.79 51.52 1i41 n ASP 188 Cb 0.58 -1.09 0.36 0.00 2.34 0.00 0.00 41.12 43.31 1i41 n ASP 188 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1i41 h VAL 189 N 6.94 0.70 0.43 5.18 2.07 -1.83 -3.20 116.25 126.54 1i41 h VAL 189 Ca 0.00 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1i41 h VAL 189 Cb 1.01 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1i41 h VAL 189 CO 1.06 0.30 -0.21 1.23 0.02 0.00 0.00 177.57 179.97 1i41 h GLY 190 N 2.23 -0.60 -0.13 2.17 0.00 -1.97 -0.91 103.07 103.86 1i41 h GLY 190 Ca -0.00 0.22 0.14 0.00 0.00 0.00 0.00 47.33 47.69 1i41 h GLY 190 CO 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 176.54 176.39 1i41 h ALA 191 N -0.11 0.70 0.63 3.60 0.00 -1.95 0.43 119.26 122.57 1i41 h ALA 191 Ca -0.06 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1i41 h ALA 191 Cb 0.48 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1i41 h ALA 191 CO 0.10 -0.39 -0.50 1.25 0.00 0.00 0.00 179.25 179.70 1i41 h LEU 192 N 0.14 -1.33 -1.34 0.00 5.85 -1.52 0.28 115.31 117.38 1i41 h LEU 192 Ca 0.36 0.09 0.22 0.00 0.84 0.00 0.00 57.88 59.39 1i41 h LEU 192 Cb 0.60 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 1i41 h LEU 192 CO -0.56 -0.71 0.63 -0.08 -0.34 0.00 0.00 178.44 177.38 1i41 h GLU 193 N -1.10 0.48 0.36 1.25 4.81 -0.02 0.23 114.58 120.58 1i41 h GLU 193 Ca -0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1i41 h GLU 193 Cb 0.92 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1i41 h GLU 193 CO 0.01 0.32 -0.17 1.25 -0.73 0.00 0.00 179.01 179.69 1i41 h LEU 194 N 0.50 -0.40 -0.84 1.64 5.85 0.71 -3.05 115.31 119.71 1i41 h LEU 194 Ca 0.54 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.48 1i41 h LEU 194 Cb 1.21 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 42.20 1i41 h LEU 194 CO -0.26 -0.22 0.11 0.00 -0.34 0.00 0.00 178.44 177.72 1i41 h ALA 195 N -1.65 1.05 -0.99 1.25 0.00 0.20 0.44 119.26 119.56 1i41 h ALA 195 Ca -0.05 0.25 0.28 0.00 0.00 0.00 0.00 54.91 55.38 1i41 h ALA 195 Cb 0.37 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.41 1i41 h ALA 195 CO 0.08 -0.46 0.54 -0.07 0.00 0.00 0.00 179.25 179.35 1i41 h LEU 196 N 0.14 0.54 0.15 0.00 -0.00 -0.56 -1.44 115.31 114.14 1i41 h LEU 196 Ca 0.50 0.17 -0.35 0.00 -0.00 0.00 0.00 57.88 58.19 1i41 h LEU 196 Cb 0.96 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1i41 h LEU 196 CO -0.69 -0.02 -1.81 0.78 -0.00 0.00 0.00 178.44 176.69 1i41 h ASN 197 N 0.43 0.50 0.00 -0.43 2.35 -0.13 -3.41 115.58 114.89 1i41 h ASN 197 Ca 0.67 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1i41 h ASN 197 Cb 1.39 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1i41 h ASN 197 CO -0.55 1.74 0.00 0.00 -1.65 0.00 0.00 177.43 176.98 1i41 n GLN 198 N -3.52 0.00 -2.91 0.81 6.02 0.13 -4.83 117.38 113.08 1i41 n GLN 198 Ca -0.26 0.47 -0.21 0.00 -0.01 0.00 0.00 57.00 56.99 1i41 n GLN 198 Cb 1.06 -1.37 0.08 0.00 1.02 0.00 0.00 30.24 31.04 1i41 n GLN 198 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1i41 n LYS 199 N -1.78 0.38 -3.39 -1.09 4.01 -0.73 -5.05 118.16 110.51 1i41 n LYS 199 Ca 0.00 -3.09 -0.45 0.00 -0.51 0.00 0.00 58.31 54.26 1i41 n LYS 199 Cb 0.00 -0.37 -0.03 0.00 -0.51 0.00 0.00 35.03 34.11 1i41 n LYS 199 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1i41 s LYS 200 N -4.84 3.40 0.07 1.97 2.36 -1.26 -4.63 119.74 116.80 1i41 s LYS 200 Ca 0.64 -2.42 -0.31 0.00 -2.55 0.00 0.00 55.97 51.34 1i41 s LYS 200 Cb -0.05 -4.31 -0.07 0.00 -1.05 0.00 0.00 37.83 32.35 1i41 s LYS 200 CO 0.41 -1.27 1.38 0.08 1.55 0.00 0.00 175.35 177.50 1i41 s VAL 201 N 0.24 3.51 -0.06 4.02 1.01 -1.26 -4.11 120.40 123.74 1i41 s VAL 201 Ca 0.17 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 1i41 s VAL 201 Cb -0.13 -3.66 -0.28 0.00 0.00 0.00 0.00 36.38 32.31 1i41 s VAL 201 CO -0.07 0.05 0.60 0.78 0.00 0.00 0.00 175.10 176.46 1i41 h ASN 202 N 7.20 0.44 -3.94 3.32 4.21 -1.14 -3.37 115.58 122.31 1i41 h ASN 202 Ca -0.41 -0.77 -0.04 0.00 1.21 0.00 0.00 56.30 56.30 1i41 h ASN 202 Cb 1.20 -0.14 -0.21 0.00 -1.12 0.00 0.00 38.32 38.05 1i41 h ASN 202 CO 0.87 1.67 0.11 -0.22 -1.29 0.00 0.00 177.43 178.58 1i41 s LEU 203 N -7.02 -0.73 -0.21 1.61 0.20 -1.24 -2.40 118.68 108.88 1i41 s LEU 203 Ca -0.16 1.44 -0.08 0.00 0.69 0.00 0.00 54.13 56.02 1i41 s LEU 203 Cb 0.06 2.44 -0.04 0.00 -0.43 0.00 0.00 46.19 48.22 1i41 s LEU 203 CO 0.82 -0.25 0.09 0.12 -0.29 0.00 0.00 176.35 176.84 1i41 s PHE 204 N 0.45 3.24 -0.02 5.38 5.36 0.71 -1.75 117.98 131.36 1i41 s PHE 204 Ca -0.01 0.04 0.03 0.00 -0.96 0.00 0.00 56.93 56.03 1i41 s PHE 204 Cb -0.05 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.48 1i41 s PHE 204 CO -0.00 0.06 -0.10 0.12 -1.46 0.00 0.00 175.22 173.84 1i41 s PHE 205 N 0.72 0.94 -0.00 10.12 5.36 0.16 -0.64 117.98 134.64 1i41 s PHE 205 Ca 0.05 -0.20 -0.30 0.00 -0.96 0.00 0.00 56.93 55.51 1i41 s PHE 205 Cb -0.13 -0.64 0.11 0.00 -0.34 0.00 0.00 43.02 42.02 1i41 s PHE 205 CO 0.02 -0.05 1.16 -0.08 -1.46 0.00 0.00 175.22 174.80 1i41 s THR 206 N -0.05 0.00 -0.10 0.12 -1.32 -0.62 -3.83 115.64 109.84 1i41 s THR 206 Ca 0.01 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1i41 s THR 206 Cb -0.06 -1.74 -0.02 0.00 -1.51 0.00 0.00 72.50 69.17 1i41 s THR 206 CO 0.00 0.00 -0.11 -1.83 -2.21 0.00 0.00 174.62 170.47 1i41 s GLU 207 N -2.70 3.10 -0.14 7.08 -1.05 -1.26 0.21 118.70 123.94 1i41 s GLU 207 Ca 0.12 -0.63 -0.04 0.00 -0.15 0.00 0.00 54.97 54.27 1i41 s GLU 207 Cb 0.02 -2.61 0.07 0.00 -0.44 0.00 0.00 34.13 31.16 1i41 s GLU 207 CO -0.03 0.41 0.20 0.45 0.95 0.00 0.00 175.26 177.23 1i41 s SER 208 N -0.13 1.00 1.07 0.83 0.15 -1.13 -3.34 113.70 112.15 1i41 s SER 208 Ca 0.00 0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.63 1i41 s SER 208 Cb -0.13 0.36 0.16 0.00 -1.71 0.00 0.00 66.02 64.69 1i41 s SER 208 CO 0.03 -0.28 0.58 -2.65 1.20 0.00 0.00 173.24 172.12 1i41 n PRO 209 N 5.32 -1.43 -2.99 5.44 -0.02 -1.26 -4.55 135.00 135.52 1i41 n PRO 209 Ca -0.05 -0.38 -0.19 0.00 -2.02 0.00 0.00 63.50 60.86 1i41 n PRO 209 Cb 0.50 -1.99 0.04 0.00 -0.02 0.00 0.00 33.50 32.03 1i41 n PRO 209 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i41 s THR 210 N -2.39 2.50 -0.08 3.45 -1.32 0.22 -4.73 115.64 113.29 1i41 s THR 210 Ca 0.62 -0.97 0.03 0.00 -1.21 0.00 0.00 61.69 60.16 1i41 s THR 210 Cb -0.20 -2.53 0.01 0.00 -1.51 0.00 0.00 72.50 68.27 1i41 s THR 210 CO 0.65 0.00 -0.18 0.21 -2.21 0.00 0.00 174.62 173.09 1i41 s ASN 211 N -4.54 2.38 0.00 8.08 3.04 -1.23 -0.90 114.94 121.77 1i41 s ASN 211 Ca 0.59 -0.42 0.22 0.00 0.04 0.00 0.00 52.86 53.30 1i41 s ASN 211 Cb -0.08 -1.06 0.35 0.00 -1.54 0.00 0.00 41.25 38.92 1i41 s ASN 211 CO 0.37 0.10 1.34 -0.81 -3.04 0.00 0.00 177.10 175.05 1i41 n PRO 212 N 3.64 2.39 -0.10 0.43 -0.04 -1.26 -4.56 135.00 135.50 1i41 n PRO 212 Ca -0.21 -2.16 0.03 0.00 -0.04 0.00 0.00 63.50 61.12 1i41 n PRO 212 Cb 0.52 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 1i41 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i41 n PHE 213 N 1.40 0.25 -3.66 0.54 3.72 -1.26 -4.60 117.46 113.85 1i41 n PHE 213 Ca 0.17 -0.12 -0.25 0.00 -0.05 0.00 0.00 57.45 57.20 1i41 n PHE 213 Cb 0.59 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.08 1i41 n PHE 213 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i41 n LEU 214 N 0.05 -0.69 -4.75 4.37 4.77 -0.07 -4.75 117.00 115.93 1i41 n LEU 214 Ca 0.06 -0.52 -0.36 0.00 -0.03 0.00 0.00 56.01 55.16 1i41 n LEU 214 Cb 0.16 -1.50 0.04 0.00 -2.33 0.00 0.00 43.42 39.80 1i41 n LEU 214 CO 0.04 0.08 0.86 -0.13 -1.33 0.00 0.00 177.39 176.92 1i41 s ARG 215 N -6.28 2.90 0.11 3.23 1.81 -1.26 -3.98 118.95 115.47 1i41 s ARG 215 Ca 0.48 1.91 0.10 0.00 -1.72 0.00 0.00 55.73 56.50 1i41 s ARG 215 Cb -0.28 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 32.25 1i41 s ARG 215 CO 0.59 -1.29 -0.26 0.00 -0.68 0.00 0.00 175.30 173.67 1i41 s VAL 217 N -1.00 3.51 -0.76 0.00 1.01 -1.26 -4.67 120.40 117.23 1i41 s VAL 217 Ca 0.14 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1i41 s VAL 217 Cb -0.10 -2.49 -0.19 0.00 0.00 0.00 0.00 36.38 33.59 1i41 s VAL 217 CO 0.05 0.52 1.88 -0.67 0.00 0.00 0.00 175.10 176.88 1i41 n ASP 218 N 3.31 2.24 -0.34 3.32 -0.08 -1.26 -4.75 116.55 118.99 1i41 n ASP 218 Ca -0.18 -2.63 -0.09 0.00 -1.51 0.00 0.00 54.79 50.39 1i41 n ASP 218 Cb 0.53 -1.22 -0.08 0.00 2.34 0.00 0.00 41.12 42.69 1i41 n ASP 218 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1i41 n ILE 219 N 6.99 -0.54 -0.24 5.18 5.41 -1.26 -0.08 119.36 134.81 1i41 n ILE 219 Ca 0.47 1.96 0.04 0.00 1.00 0.00 0.00 62.75 66.22 1i41 n ILE 219 Cb 0.43 -2.42 0.15 0.00 -0.71 0.00 0.00 39.64 37.09 1i41 n ILE 219 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1i41 h GLU 220 N 0.00 0.13 0.60 0.38 4.81 -1.85 0.11 114.58 118.76 1i41 h GLU 220 Ca 0.13 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1i41 h GLU 220 Cb 0.33 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1i41 h GLU 220 CO -0.75 0.09 -0.29 1.25 -0.73 0.00 0.00 179.01 178.58 1i41 h LEU 221 N 0.13 -0.69 -0.45 1.64 5.85 -0.81 -2.60 115.31 118.40 1i41 h LEU 221 Ca 0.39 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.20 1i41 h LEU 221 Cb 0.68 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 1i41 h LEU 221 CO -0.60 -0.43 -0.49 0.58 -0.34 0.00 0.00 178.44 177.16 1i41 h VAL 222 N -0.92 0.06 -0.99 1.05 2.07 -0.92 0.10 116.25 116.70 1i41 h VAL 222 Ca -0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.61 1i41 h VAL 222 Cb 0.62 0.06 -0.17 0.00 -1.52 0.00 0.00 31.29 30.28 1i41 h VAL 222 CO 0.14 0.00 -0.34 0.28 0.02 0.00 0.00 177.57 177.67 1i41 h SER 223 N -0.34 -1.26 0.38 0.57 0.02 -0.84 0.45 113.55 112.54 1i41 h SER 223 Ca 0.12 0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1i41 h SER 223 Cb 0.59 0.71 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1i41 h SER 223 CO -0.61 -0.30 -0.39 0.50 -1.14 0.00 0.00 176.83 174.89 1i41 h LYS 224 N -0.00 -0.76 -0.00 3.45 3.64 -0.60 -0.72 116.57 121.58 1i41 h LYS 224 Ca 0.39 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.85 1i41 h LYS 224 Cb 0.64 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1i41 h LYS 224 CO -1.00 -0.51 -0.47 -0.07 -2.27 0.00 0.00 179.45 175.14 1i41 h LEU 225 N -0.79 -1.43 -0.02 5.20 3.38 -0.11 -2.40 115.31 119.15 1i41 h LEU 225 Ca -0.03 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1i41 h LEU 225 Cb 0.71 0.55 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 1i41 h LEU 225 CO -0.07 -0.49 -0.39 0.00 0.09 0.00 0.00 178.44 177.58 1i41 h HIS 227 N -0.54 0.00 0.00 0.00 3.86 -0.95 0.36 115.15 117.88 1i41 h HIS 227 Ca 0.06 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 1i41 h HIS 227 Cb 0.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1i41 h HIS 227 CO -0.41 0.00 -0.38 1.49 0.86 0.00 0.00 177.93 179.49 1i41 h GLU 228 N 0.00 0.00 -0.31 2.45 4.81 -0.69 -3.06 114.58 117.78 1i41 h GLU 228 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1i41 h GLU 228 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1i41 h GLU 228 CO -0.00 0.38 0.00 1.63 -0.73 0.00 0.00 179.01 180.29 1i41 n LYS 229 N -3.49 2.20 -0.68 1.92 4.76 0.12 -4.97 118.16 118.02 1i41 n LYS 229 Ca 0.00 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.47 1i41 n LYS 229 Cb 0.53 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1i41 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i41 n GLY 230 N 0.95 0.83 3.79 0.72 0.00 -0.89 -4.92 105.19 105.68 1i41 n GLY 230 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1i41 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 231 N -3.31 2.76 0.00 4.61 0.00 -0.97 -4.94 121.76 119.91 1i41 s ALA 231 Ca 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1i41 s ALA 231 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1i41 s ALA 231 CO 0.00 -0.66 0.15 -0.51 0.00 0.00 0.00 175.76 174.74 1i41 s LEU 232 N -4.05 4.20 -0.13 0.00 1.43 -1.01 -3.89 118.68 115.23 1i41 s LEU 232 Ca 0.67 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1i41 s LEU 232 Cb -0.18 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 1i41 s LEU 232 CO 0.30 0.26 -0.15 -0.69 0.23 0.00 0.00 176.35 176.29 1i41 s VAL 233 N -1.30 2.87 -0.10 -1.59 1.01 -1.26 0.26 120.40 120.29 1i41 s VAL 233 Ca 0.27 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1i41 s VAL 233 Cb -0.12 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1i41 s VAL 233 CO 0.18 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.71 1i41 s ILE 235 N 1.34 3.19 -0.98 0.00 -1.09 0.95 -1.59 121.20 123.02 1i41 s ILE 235 Ca -0.02 -0.61 -0.15 0.00 -2.23 0.00 0.00 60.65 57.64 1i41 s ILE 235 Cb -0.14 -2.35 0.19 0.00 -1.58 0.00 0.00 42.46 38.58 1i41 s ILE 235 CO -0.04 0.52 1.07 -0.62 -1.23 0.00 0.00 174.94 174.64 1i41 s ASP 236 N 0.35 6.86 -0.10 3.58 -1.08 0.13 -1.33 116.67 125.09 1i41 s ASP 236 Ca -0.10 -2.65 0.01 0.00 -0.52 0.00 0.00 52.55 49.29 1i41 s ASP 236 Cb -0.16 -2.31 0.15 0.00 -1.46 0.00 0.00 42.92 39.14 1i41 s ASP 236 CO 0.05 -0.74 1.18 0.61 0.52 0.00 0.00 175.17 176.79 1i41 n GLY 237 N 4.36 2.51 0.41 2.66 0.00 -1.04 -2.85 105.19 111.24 1i41 n GLY 237 Ca 0.23 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1i41 n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i41 h THR 238 N 0.25 0.09 -0.48 2.61 2.02 -1.89 0.05 112.91 115.57 1i41 h THR 238 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1i41 h THR 238 Cb 1.38 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1i41 h THR 238 CO 0.24 0.00 0.26 -0.26 0.37 0.00 0.00 175.52 176.12 1i41 h PHE 239 N -0.35 0.64 0.39 3.16 0.04 -1.85 -3.22 116.94 115.74 1i41 h PHE 239 Ca 0.12 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 1i41 h PHE 239 Cb 0.59 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1i41 h PHE 239 CO -0.63 0.45 -0.19 0.00 -0.60 0.00 0.00 178.31 177.34 1i41 h ALA 240 N 1.62 -0.52 0.00 2.45 0.00 -1.45 -3.41 119.26 117.96 1i41 h ALA 240 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i41 h ALA 240 Cb 0.03 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1i41 h ALA 240 CO -0.03 -0.53 0.00 2.41 0.00 0.00 0.00 179.25 181.10 1i41 n THR 241 N -5.13 -0.40 0.24 0.00 -1.04 -0.13 -3.83 114.28 103.99 1i41 n THR 241 Ca -0.08 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.08 1i41 n THR 241 Cb 0.26 -0.02 0.68 0.00 -1.82 0.00 0.00 70.33 69.43 1i41 n THR 241 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1i41 h PRO 242 N 0.00 0.00 -0.02 -2.82 0.13 -1.84 -0.59 132.00 126.86 1i41 h PRO 242 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1i41 h PRO 242 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1i41 h PRO 242 CO 0.00 0.00 -0.72 -0.07 -0.23 0.00 0.00 178.00 176.98 1i41 h LEU 243 N 0.00 0.66 -0.01 1.56 3.38 -1.94 -3.30 115.31 115.67 1i41 h LEU 243 Ca 0.08 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1i41 h LEU 243 Cb 1.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1i41 h LEU 243 CO -0.00 1.31 -0.00 0.59 0.09 0.00 0.00 178.44 180.43 1i41 n ASN 244 N -4.11 0.01 -3.62 -0.43 3.02 -0.24 -4.83 115.26 105.07 1i41 n ASN 244 Ca -0.10 -0.16 -0.04 0.00 -0.03 0.00 0.00 54.58 54.25 1i41 n ASN 244 Cb 0.73 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 1i41 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i41 s GLN 245 N -2.56 0.21 -0.61 3.52 -2.07 -1.15 -1.62 119.66 115.38 1i41 s GLN 245 Ca 0.29 -0.04 0.06 0.00 -1.82 0.00 0.00 55.36 53.85 1i41 s GLN 245 Cb 0.20 0.10 0.22 0.00 -1.09 0.00 0.00 33.01 32.44 1i41 s GLN 245 CO 0.46 -0.08 0.62 1.63 -1.32 0.00 0.00 175.29 176.59 1i41 n LYS 246 N 0.17 1.90 -0.33 9.60 4.76 -1.26 -4.34 118.16 128.65 1i41 n LYS 246 Ca 0.00 -4.30 0.15 0.00 -2.87 0.00 0.00 58.31 51.29 1i41 n LYS 246 Cb 0.58 -2.07 0.31 0.00 -1.84 0.00 0.00 35.03 32.00 1i41 n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i41 h ALA 247 N 4.59 1.24 -0.76 7.82 0.00 -1.94 0.69 119.26 130.90 1i41 h ALA 247 Ca 0.17 0.32 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1i41 h ALA 247 Cb 0.74 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1i41 h ALA 247 CO 0.71 -0.58 0.45 -0.07 0.00 0.00 0.00 179.25 179.76 1i41 h LEU 248 N 0.04 0.69 -1.11 0.00 3.38 -1.85 -0.80 115.31 115.66 1i41 h LEU 248 Ca 0.60 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.53 1i41 h LEU 248 Cb 1.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1i41 h LEU 248 CO -0.87 0.45 -0.11 0.00 0.09 0.00 0.00 178.44 178.00 1i41 h ALA 249 N 1.37 1.26 0.00 1.53 0.00 0.06 -1.81 119.26 121.68 1i41 h ALA 249 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i41 h ALA 249 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i41 h ALA 249 CO -0.17 0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1i41 n LEU 250 N -4.21 0.00 0.00 0.00 4.77 -0.36 -4.82 117.00 112.37 1i41 n LEU 250 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1i41 n LEU 250 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1i41 n LEU 250 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1i41 n GLY 251 N 0.14 2.23 3.61 -0.72 0.00 -0.68 -3.60 105.19 106.17 1i41 n GLY 251 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1i41 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 252 N -1.24 0.24 -0.03 4.61 0.00 -0.87 -4.94 120.51 118.27 1i41 n ALA 252 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 1i41 n ALA 252 Cb 0.00 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.22 1i41 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i41 h ASP 253 N 1.18 0.14 -3.95 0.00 3.32 -1.59 -3.40 116.42 112.11 1i41 h ASP 253 Ca -0.46 -0.97 -0.38 0.00 0.02 0.00 0.00 57.03 55.24 1i41 h ASP 253 Cb 1.34 -0.05 -0.29 0.00 0.22 0.00 0.00 39.33 40.56 1i41 h ASP 253 CO 0.55 1.10 -0.77 -0.76 -1.72 0.00 0.00 179.24 177.63 1i41 s LEU 254 N -8.16 1.95 -0.06 1.55 1.43 0.10 -4.19 118.68 111.31 1i41 s LEU 254 Ca -0.17 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1i41 s LEU 254 Cb -0.02 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.78 1i41 s LEU 254 CO 0.73 0.09 -0.17 0.54 0.23 0.00 0.00 176.35 177.77 1i41 s VAL 255 N -0.08 1.42 0.11 -1.59 0.11 -0.92 -0.04 120.40 119.42 1i41 s VAL 255 Ca 0.02 -0.68 0.06 0.00 -2.93 0.00 0.00 61.98 58.45 1i41 s VAL 255 Cb -0.04 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1i41 s VAL 255 CO -0.00 0.41 -0.16 -1.48 -3.33 0.00 0.00 175.10 170.55 1i41 s LEU 256 N 0.27 2.37 0.09 2.54 0.05 -0.44 -1.00 118.68 122.57 1i41 s LEU 256 Ca -0.09 -0.76 0.02 0.00 0.05 0.00 0.00 54.13 53.35 1i41 s LEU 256 Cb -0.14 -0.62 -0.04 0.00 -2.05 0.00 0.00 46.19 43.34 1i41 s LEU 256 CO 0.04 -0.09 -0.07 -1.00 -0.55 0.00 0.00 176.35 174.68 1i41 s HIS 257 N -1.82 0.90 -0.77 3.48 3.76 0.10 -2.49 115.29 118.45 1i41 s HIS 257 Ca 0.07 -0.85 -0.07 0.00 -0.15 0.00 0.00 55.06 54.07 1i41 s HIS 257 Cb -0.07 -0.51 0.20 0.00 1.11 0.00 0.00 32.58 33.31 1i41 s HIS 257 CO 0.03 -0.12 0.65 0.45 -0.85 0.00 0.00 174.74 174.90 1i41 s SER 258 N -2.86 5.98 0.13 1.40 0.15 -1.26 -1.65 113.70 115.58 1i41 s SER 258 Ca 0.09 -3.00 0.06 0.00 0.70 0.00 0.00 55.95 53.80 1i41 s SER 258 Cb 0.03 -2.00 0.33 0.00 -1.71 0.00 0.00 66.02 62.67 1i41 s SER 258 CO -0.04 -0.40 1.06 0.00 1.20 0.00 0.00 173.24 175.07 1i41 n ALA 259 N 3.39 0.71 0.24 5.45 0.00 -0.39 -1.20 120.51 128.71 1i41 n ALA 259 Ca 0.13 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.73 1i41 n ALA 259 Cb 0.41 -0.78 0.68 0.00 0.00 0.00 0.00 19.45 19.75 1i41 n ALA 259 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i41 h THR 260 N 0.00 0.91 0.00 0.00 2.02 -1.74 -1.47 112.91 112.63 1i41 h THR 260 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i41 h THR 260 Cb 0.36 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1i41 h THR 260 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1i41 n LYS 261 N -4.43 0.00 0.05 6.66 4.76 -0.34 -4.53 118.16 120.33 1i41 n LYS 261 Ca -0.02 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.31 1i41 n LYS 261 Cb 0.15 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.26 1i41 n LYS 261 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1i41 h PHE 262 N 0.00 -0.18 -0.84 2.13 0.04 -1.73 0.64 116.94 117.00 1i41 h PHE 262 Ca 0.00 -0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.94 1i41 h PHE 262 Cb 0.00 0.06 -0.16 0.00 2.20 0.00 0.00 35.95 38.05 1i41 h PHE 262 CO 0.00 0.28 -0.18 -0.07 -0.60 0.00 0.00 178.31 177.74 1i41 h LEU 263 N -0.82 -0.72 0.09 1.54 3.38 -1.84 0.19 115.31 117.12 1i41 h LEU 263 Ca -0.02 0.25 -0.30 0.00 0.09 0.00 0.00 57.88 57.90 1i41 h LEU 263 Cb 0.54 0.50 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1i41 h LEU 263 CO 0.03 -0.27 -1.53 1.23 0.09 0.00 0.00 178.44 177.99 1i41 h GLY 264 N 0.01 0.21 -6.49 0.83 0.00 -1.40 -3.19 103.07 93.04 1i41 h GLY 264 Ca 0.42 -0.53 -0.52 0.00 0.00 0.00 0.00 47.33 46.70 1i41 h GLY 264 CO -0.85 0.46 -0.75 0.61 0.00 0.00 0.00 176.54 176.01 1i41 n GLY 265 N 1.63 -0.31 0.00 4.60 0.00 0.66 -4.58 105.19 107.20 1i41 n GLY 265 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1i41 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i41 n HIS 266 N -3.48 0.00 -3.80 1.61 8.25 -1.26 -2.79 115.22 113.75 1i41 n HIS 266 Ca 0.06 -0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.29 1i41 n HIS 266 Cb 0.39 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.51 1i41 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i41 n ASN 267 N -0.00 -0.84 -0.91 0.41 3.02 -1.26 -4.85 115.26 110.83 1i41 n ASN 267 Ca 0.00 -0.89 -0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1i41 n ASN 267 Cb 0.42 -3.68 -0.01 0.00 -0.61 0.00 0.00 39.78 35.90 1i41 n ASN 267 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1i41 n ASP 268 N -3.03 0.06 -3.64 6.41 5.75 -1.26 -5.11 116.55 115.73 1i41 n ASP 268 Ca -0.30 -1.79 -0.06 0.00 -0.01 0.00 0.00 54.79 52.63 1i41 n ASP 268 Cb 0.68 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.63 1i41 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i41 s VAL 269 N 0.00 0.00 0.14 2.12 0.11 -1.26 -5.11 120.40 116.40 1i41 s VAL 269 Ca 0.10 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.20 1i41 s VAL 269 Cb 0.11 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1i41 s VAL 269 CO -0.05 0.00 0.08 -0.76 -3.33 0.00 0.00 175.10 171.04 1i41 s LEU 270 N -0.20 3.66 -0.30 2.54 1.43 -1.26 -4.30 118.68 120.24 1i41 s LEU 270 Ca 0.05 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 1i41 s LEU 270 Cb -0.04 -2.31 0.20 0.00 0.03 0.00 0.00 46.19 44.07 1i41 s LEU 270 CO -0.09 0.11 1.29 0.00 0.23 0.00 0.00 176.35 177.89 1i41 s ALA 271 N -1.60 -2.48 0.23 4.21 0.00 -1.19 -4.69 121.76 116.23 1i41 s ALA 271 Ca 0.29 1.90 -0.01 0.00 0.00 0.00 0.00 51.96 54.14 1i41 s ALA 271 Cb -0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1i41 s ALA 271 CO 0.21 -0.25 0.42 0.20 0.00 0.00 0.00 175.76 176.35 1i41 s GLY 272 N 0.72 1.73 -0.24 0.00 0.00 -1.02 -1.26 107.32 107.25 1i41 s GLY 272 Ca -0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 1i41 s GLY 272 CO -0.12 -0.77 0.57 0.00 0.00 0.00 0.00 173.10 172.78 1i41 s ILE 274 N 1.65 0.65 0.15 0.00 1.01 -0.52 0.02 121.20 124.16 1i41 s ILE 274 Ca -0.09 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.48 1i41 s ILE 274 Cb -0.07 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1i41 s ILE 274 CO -0.17 0.26 -0.21 -0.44 0.00 0.00 0.00 174.94 174.37 1i41 s SER 275 N 1.00 2.89 0.00 3.58 0.01 -0.17 0.71 113.70 121.72 1i41 s SER 275 Ca -0.10 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1i41 s SER 275 Cb -0.14 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1i41 s SER 275 CO -0.00 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1i41 n GLY 276 N 0.60 -1.10 3.76 3.44 0.00 -0.62 -2.15 105.19 109.12 1i41 n GLY 276 Ca -0.15 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 1i41 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i41 s PRO 277 N -1.45 3.37 0.02 1.61 0.04 -1.26 -2.06 135.00 135.28 1i41 s PRO 277 Ca 0.00 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 1i41 s PRO 277 Cb 0.00 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1i41 s PRO 277 CO 0.00 -0.89 1.13 1.25 0.04 0.00 0.00 177.00 178.53 1i41 h LEU 278 N 1.48 -0.37 -1.26 -3.56 6.46 -1.89 -0.55 115.31 115.61 1i41 h LEU 278 Ca -0.50 0.04 0.37 0.00 -0.12 0.00 0.00 57.88 57.66 1i41 h LEU 278 Cb 1.27 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 41.29 1i41 h LEU 278 CO 0.58 -0.13 1.21 1.17 -0.62 0.00 0.00 178.44 180.64 1i41 n LYS 279 N -3.15 0.01 -0.06 1.25 4.81 -1.26 -1.27 118.16 118.49 1i41 n LYS 279 Ca -0.02 0.97 -0.04 0.00 -0.87 0.00 0.00 58.31 58.35 1i41 n LYS 279 Cb 0.10 -2.36 -0.01 0.00 0.02 0.00 0.00 35.03 32.77 1i41 n LYS 279 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1i41 n LEU 280 N -3.33 1.36 -0.33 3.14 4.77 -0.73 -4.15 117.00 117.73 1i41 n LEU 280 Ca 0.28 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.85 1i41 n LEU 280 Cb 1.59 -0.74 0.36 0.00 -2.33 0.00 0.00 43.42 42.30 1i41 n LEU 280 CO 0.28 -0.43 1.21 1.62 -1.33 0.00 0.00 177.39 178.74 1i41 h VAL 281 N -0.74 0.71 -0.55 4.08 3.04 -0.53 -0.99 116.25 121.29 1i41 h VAL 281 Ca 0.00 -0.24 0.04 0.00 -1.01 0.00 0.00 66.70 65.50 1i41 h VAL 281 Cb 0.49 -0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 29.68 1i41 h VAL 281 CO 0.00 0.13 0.29 0.77 -1.01 0.00 0.00 177.57 177.75 1i41 h SER 282 N 0.70 0.43 -0.49 3.17 4.64 -1.41 0.08 113.55 120.66 1i41 h SER 282 Ca 0.55 0.03 0.14 0.00 -0.47 0.00 0.00 61.79 62.04 1i41 h SER 282 Cb 0.94 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1i41 h SER 282 CO -0.32 0.29 0.37 -0.33 -0.87 0.00 0.00 176.83 175.96 1i41 h GLU 283 N 0.56 0.00 0.14 4.77 4.39 -1.33 -0.64 114.58 122.47 1i41 h GLU 283 Ca 0.24 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.71 1i41 h GLU 283 Cb 0.13 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1i41 h GLU 283 CO -0.15 0.00 -1.06 0.82 -1.16 0.00 0.00 179.01 177.45 1i41 h ILE 284 N 0.00 1.34 -0.92 3.13 2.04 -1.03 -3.28 117.51 118.79 1i41 h ILE 284 Ca 0.23 -2.51 0.19 0.00 1.00 0.00 0.00 64.86 63.77 1i41 h ILE 284 Cb 0.96 3.04 -0.11 0.00 -0.74 0.00 0.00 36.82 39.97 1i41 h ILE 284 CO -0.00 0.72 0.49 -0.09 0.00 0.00 0.00 178.15 179.27 1i41 h ARG 285 N -0.30 0.58 0.22 2.37 2.43 0.38 0.42 114.38 120.48 1i41 h ARG 285 Ca -0.20 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1i41 h ARG 285 Cb 1.73 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.13 1i41 h ARG 285 CO 0.13 0.39 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.85 1i41 h ASN 286 N 0.60 -0.58 -0.31 -3.80 2.35 -1.32 0.16 115.58 112.68 1i41 h ASN 286 Ca 0.54 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.31 1i41 h ASN 286 Cb 0.88 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1i41 h ASN 286 CO -0.42 -0.32 0.10 0.25 -1.65 0.00 0.00 177.43 175.39 1i41 h LEU 287 N -0.47 0.51 -1.67 1.61 5.85 -1.23 -0.77 115.31 119.13 1i41 h LEU 287 Ca -0.00 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1i41 h LEU 287 Cb 0.44 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1i41 h LEU 287 CO -0.05 0.51 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.65 1i41 h HIS 288 N 0.55 0.00 0.00 1.25 2.76 0.77 -0.50 115.15 119.98 1i41 h HIS 288 Ca 0.13 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1i41 h HIS 288 Cb 0.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1i41 h HIS 288 CO 0.01 0.17 0.00 0.72 -1.30 0.00 0.00 177.93 177.53 1i41 n HIS 289 N -4.27 0.00 -0.03 5.26 8.25 0.46 -2.34 115.22 122.55 1i41 n HIS 289 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.37 1i41 n HIS 289 Cb 0.24 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 1i41 n HIS 289 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1i41 n ILE 290 N -1.07 0.34 0.23 1.59 5.41 -0.27 -4.56 119.36 121.03 1i41 n ILE 290 Ca 0.13 -0.09 0.10 0.00 1.00 0.00 0.00 62.75 63.89 1i41 n ILE 290 Cb 0.09 -1.45 0.49 0.00 -0.71 0.00 0.00 39.64 38.06 1i41 n ILE 290 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1i41 n LEU 291 N -3.18 0.52 -3.55 1.39 4.77 -0.75 -4.89 117.00 111.31 1i41 n LEU 291 Ca -0.12 0.70 -0.18 0.00 -0.03 0.00 0.00 56.01 56.38 1i41 n LEU 291 Cb 0.59 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1i41 n LEU 291 CO 0.01 -0.76 -0.03 0.61 -1.33 0.00 0.00 177.39 175.90 1i41 n GLY 292 N -0.86 -1.24 1.22 -0.72 0.00 -0.99 -4.90 105.19 97.70 1i41 n GLY 292 Ca -0.00 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 1i41 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 293 N -1.71 4.90 3.38 -0.02 0.00 -1.26 -5.05 105.19 105.43 1i41 n GLY 293 Ca -0.18 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1i41 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 294 N -1.13 -1.92 -2.80 4.61 0.00 -1.26 -0.95 120.51 117.06 1i41 n ALA 294 Ca 0.35 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.41 1i41 n ALA 294 Cb 1.07 -1.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1i41 n ALA 294 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i41 s LEU 295 N 2.48 4.05 0.34 0.00 2.96 -1.26 -4.32 118.68 122.93 1i41 s LEU 295 Ca 0.64 0.23 -0.28 0.00 -0.22 0.00 0.00 54.13 54.50 1i41 s LEU 295 Cb -0.48 -2.01 -0.10 0.00 0.50 0.00 0.00 46.19 44.11 1i41 s LEU 295 CO 0.59 0.26 1.24 0.21 -1.32 0.00 0.00 176.35 177.33 1i41 s ASN 296 N -0.14 6.79 0.22 3.68 3.84 -1.26 -4.88 114.94 123.18 1i41 s ASN 296 Ca 0.09 2.55 -0.10 0.00 0.21 0.00 0.00 52.86 55.61 1i41 s ASN 296 Cb -0.12 -2.64 0.32 0.00 -0.55 0.00 0.00 41.25 38.26 1i41 s ASN 296 CO 0.01 -0.51 1.68 -0.65 -2.79 0.00 0.00 177.10 174.84 1i41 h PRO 297 N 3.28 0.18 -0.60 0.43 0.11 -1.96 -0.84 132.00 132.60 1i41 h PRO 297 Ca -0.49 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1i41 h PRO 297 Cb 1.23 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1i41 h PRO 297 CO 0.65 0.12 0.31 -0.91 -0.21 0.00 0.00 178.00 177.96 1i41 h ASN 298 N 0.18 0.45 0.20 -2.05 2.35 -1.91 -0.19 115.58 114.60 1i41 h ASN 298 Ca 0.33 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 1i41 h ASN 298 Cb 0.53 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1i41 h ASN 298 CO -0.48 0.29 -0.11 0.00 -1.65 0.00 0.00 177.43 175.48 1i41 h ALA 299 N 1.33 -0.29 -0.64 -0.83 0.00 -1.58 -2.17 119.26 115.07 1i41 h ALA 299 Ca 0.27 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1i41 h ALA 299 Cb 0.19 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 1i41 h ALA 299 CO -0.19 -0.67 -0.40 0.00 0.00 0.00 0.00 179.25 178.00 1i41 h ALA 300 N 0.51 -0.17 0.14 0.00 0.00 -0.35 -1.42 119.26 117.98 1i41 h ALA 300 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1i41 h ALA 300 Cb 0.24 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1i41 h ALA 300 CO 0.03 -0.75 -0.42 -0.92 0.00 0.00 0.00 179.25 177.19 1i41 h TYR 301 N -0.17 -1.19 -1.00 0.00 3.20 -0.81 -1.10 116.97 115.90 1i41 h TYR 301 Ca 0.22 0.03 0.35 0.00 3.14 0.00 0.00 58.73 62.47 1i41 h TYR 301 Cb 0.56 0.50 -0.16 0.00 1.54 0.00 0.00 36.73 39.17 1i41 h TYR 301 CO -0.71 -0.53 0.54 -0.07 -1.64 0.00 0.00 178.16 175.75 1i41 h LEU 302 N -0.67 0.41 -0.20 2.82 3.38 -0.63 0.66 115.31 121.07 1i41 h LEU 302 Ca 0.02 0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1i41 h LEU 302 Cb 0.69 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1i41 h LEU 302 CO -0.23 -0.24 -0.13 0.40 0.09 0.00 0.00 178.44 178.33 1i41 h ILE 303 N 0.20 1.32 -0.76 1.22 2.04 -0.61 0.46 117.51 121.39 1i41 h ILE 303 Ca 0.76 -1.23 0.09 0.00 1.00 0.00 0.00 64.86 65.49 1i41 h ILE 303 Cb 1.84 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 39.53 1i41 h ILE 303 CO -0.67 0.37 0.40 0.40 0.00 0.00 0.00 178.15 178.66 1i41 h ILE 304 N 0.13 0.88 -0.38 -0.67 2.04 0.13 0.31 117.51 119.95 1i41 h ILE 304 Ca 0.04 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1i41 h ILE 304 Cb 0.64 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1i41 h ILE 304 CO 0.04 0.12 -0.20 -0.09 0.00 0.00 0.00 178.15 178.02 1i41 h ARG 305 N 0.68 0.74 -0.43 2.37 2.43 -0.55 -2.42 114.38 117.21 1i41 h ARG 305 Ca 0.37 -0.29 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1i41 h ARG 305 Cb 0.36 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1i41 h ARG 305 CO -0.26 0.89 -0.22 0.78 -1.51 0.00 0.00 179.97 179.65 1i41 h GLY 306 N 0.97 0.99 2.00 2.80 0.00 0.69 -2.56 103.07 107.96 1i41 h GLY 306 Ca 0.10 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1i41 h GLY 306 CO 0.05 0.81 0.00 1.03 0.00 0.00 0.00 176.54 178.43 1i41 n MET 307 N -4.18 0.17 0.29 4.80 2.81 0.95 -2.09 117.12 119.87 1i41 n MET 307 Ca -0.01 0.45 0.18 0.00 -1.81 0.00 0.00 57.70 56.51 1i41 n MET 307 Cb 0.45 -1.85 1.00 0.00 -0.71 0.00 0.00 33.22 32.10 1i41 n MET 307 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i41 h LYS 308 N 0.00 0.00 -0.54 0.03 1.79 -1.00 -1.77 116.57 115.08 1i41 h LYS 308 Ca 0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 1i41 h LYS 308 Cb 0.29 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.54 1i41 h LYS 308 CO 0.00 0.00 -0.98 0.25 -1.08 0.00 0.00 179.45 177.64 1i41 n THR 309 N -3.46 1.78 0.23 -0.16 -2.24 -0.89 -4.71 114.28 104.84 1i41 n THR 309 Ca -0.02 -3.42 -0.09 0.00 -2.27 0.00 0.00 64.05 58.25 1i41 n THR 309 Cb 0.17 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 1i41 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i41 h LEU 310 N 2.36 -0.50 -0.44 3.22 5.85 -1.35 -2.61 115.31 121.84 1i41 h LEU 310 Ca 0.07 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1i41 h LEU 310 Cb 1.39 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.47 1i41 h LEU 310 CO 0.42 -0.34 -0.56 1.12 -0.34 0.00 0.00 178.44 178.74 1i41 h HIS 311 N -0.64 -1.71 -0.89 1.25 2.07 -1.91 0.80 115.15 114.12 1i41 h HIS 311 Ca -0.06 0.09 0.19 0.00 -2.85 0.00 0.00 60.37 57.74 1i41 h HIS 311 Cb 0.45 0.81 -0.17 0.00 2.57 0.00 0.00 27.41 31.07 1i41 h HIS 311 CO 0.11 -0.48 -0.14 -0.07 -3.07 0.00 0.00 177.93 174.28 1i41 h LEU 312 N -0.38 -0.68 -0.03 6.12 3.38 -1.94 0.22 115.31 121.99 1i41 h LEU 312 Ca 0.08 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1i41 h LEU 312 Cb 0.58 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1i41 h LEU 312 CO -0.61 -0.29 -0.00 0.03 0.09 0.00 0.00 178.44 177.66 1i41 h ARG 313 N 0.02 0.06 0.49 1.13 3.08 -0.69 -2.98 114.38 115.49 1i41 h ARG 313 Ca 0.46 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 1i41 h ARG 313 Cb 0.77 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1i41 h ARG 313 CO -0.88 0.37 -0.42 0.28 -1.07 0.00 0.00 179.97 178.25 1i41 h VAL 314 N -0.25 0.16 -0.49 2.04 2.07 0.75 -2.14 116.25 118.38 1i41 h VAL 314 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1i41 h VAL 314 Cb 0.34 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1i41 h VAL 314 CO 0.00 0.00 -0.29 1.67 0.02 0.00 0.00 177.57 178.97 1i41 n GLN 315 N -5.52 -0.22 -0.17 1.57 7.27 0.60 0.58 117.38 121.49 1i41 n GLN 315 Ca -0.11 1.09 -0.03 0.00 0.07 0.00 0.00 57.00 58.01 1i41 n GLN 315 Cb 0.42 -1.61 0.07 0.00 2.41 0.00 0.00 30.24 31.53 1i41 n GLN 315 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1i41 h GLN 316 N 0.00 0.38 -0.51 3.69 5.75 -1.45 -2.32 115.11 120.64 1i41 h GLN 316 Ca 0.08 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1i41 h GLN 316 Cb 0.20 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1i41 h GLN 316 CO -0.46 0.25 0.14 1.96 -2.65 0.00 0.00 178.83 178.07 1i41 h GLN 317 N 0.39 0.81 -0.98 1.69 4.20 -0.32 -1.58 115.11 119.32 1i41 h GLN 317 Ca 0.25 -0.19 0.18 0.00 0.06 0.00 0.00 58.65 58.95 1i41 h GLN 317 Cb 0.26 -0.11 -0.10 0.00 0.30 0.00 0.00 27.48 27.82 1i41 h GLN 317 CO -0.24 0.77 0.58 -0.91 -0.67 0.00 0.00 178.83 178.36 1i41 h ASN 318 N 0.71 0.75 0.00 1.46 2.35 0.66 -0.73 115.58 120.78 1i41 h ASN 318 Ca 0.16 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1i41 h ASN 318 Cb 0.31 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1i41 h ASN 318 CO -0.00 0.28 0.00 -1.20 -1.65 0.00 0.00 177.43 174.86 1i41 n SER 319 N -4.78 0.00 -0.25 5.81 7.64 -0.97 -2.74 113.62 118.34 1i41 n SER 319 Ca 0.22 0.52 0.02 0.00 1.01 0.00 0.00 58.87 60.64 1i41 n SER 319 Cb 0.54 -0.34 0.06 0.00 -1.01 0.00 0.00 64.21 63.46 1i41 n SER 319 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i41 n THR 320 N -1.52 -0.31 0.00 0.44 -1.04 -0.63 -0.38 114.28 110.83 1i41 n THR 320 Ca 0.00 1.53 0.00 0.00 -2.04 0.00 0.00 64.05 63.54 1i41 n THR 320 Cb 0.00 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.44 1i41 n THR 320 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i41 n ALA 321 N -3.70 -0.26 -0.09 2.41 0.00 -0.28 -0.12 120.51 118.46 1i41 n ALA 321 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1i41 n ALA 321 Cb 0.30 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1i41 n ALA 321 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1i41 n LEU 322 N -2.27 -0.22 -0.18 0.00 7.94 0.49 0.74 117.00 123.50 1i41 n LEU 322 Ca 0.00 1.14 -0.02 0.00 -1.11 0.00 0.00 56.01 56.02 1i41 n LEU 322 Cb 0.00 -0.43 0.05 0.00 0.53 0.00 0.00 43.42 43.57 1i41 n LEU 322 CO 0.00 -0.68 0.75 0.03 -1.11 0.00 0.00 177.39 176.38 1i41 h ARG 323 N 0.00 -0.00 -0.04 1.96 3.08 -1.23 0.46 114.38 118.61 1i41 h ARG 323 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1i41 h ARG 323 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1i41 h ARG 323 CO -0.20 -0.00 0.01 0.52 -1.07 0.00 0.00 179.97 179.23 1i41 h MET 324 N -0.00 0.05 0.25 0.04 2.86 0.10 -2.12 114.93 116.11 1i41 h MET 324 Ca 0.27 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1i41 h MET 324 Cb 0.41 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1i41 h MET 324 CO -0.57 0.05 -0.12 0.00 1.06 0.00 0.00 176.91 177.32 1i41 h ALA 325 N 1.96 -1.00 -0.78 6.32 0.00 0.51 -1.63 119.26 124.64 1i41 h ALA 325 Ca 0.01 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1i41 h ALA 325 Cb 0.02 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 1i41 h ALA 325 CO -0.00 -0.98 -0.35 0.93 0.00 0.00 0.00 179.25 178.85 1i41 h GLU 326 N -0.36 -0.08 -0.95 0.00 5.08 -1.18 0.58 114.58 117.66 1i41 h GLU 326 Ca -0.03 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.54 1i41 h GLU 326 Cb 0.26 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.42 1i41 h GLU 326 CO 0.06 -0.06 0.53 0.82 -1.00 0.00 0.00 179.01 179.36 1i41 h ILE 327 N -0.09 0.61 -0.18 3.13 2.04 -1.37 -0.59 117.51 121.08 1i41 h ILE 327 Ca 0.29 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 1i41 h ILE 327 Cb 0.57 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1i41 h ILE 327 CO -0.82 0.11 -0.17 -0.07 0.00 0.00 0.00 178.15 177.21 1i41 h LEU 328 N 0.61 0.45 -0.77 1.44 3.38 0.11 -2.40 115.31 118.13 1i41 h LEU 328 Ca 0.57 -0.47 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1i41 h LEU 328 Cb 0.98 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 1i41 h LEU 328 CO -0.44 0.83 0.43 -0.08 0.09 0.00 0.00 178.44 179.27 1i41 h GLU 329 N 0.08 0.71 0.00 1.13 4.81 0.44 -0.42 114.58 121.32 1i41 h GLU 329 Ca 0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1i41 h GLU 329 Cb 0.70 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1i41 h GLU 329 CO 0.04 0.47 -0.34 0.00 -0.73 0.00 0.00 179.01 178.45 1i41 h ALA 330 N 1.43 1.22 -2.70 2.92 0.00 -1.14 -3.45 119.26 117.54 1i41 h ALA 330 Ca 0.37 -0.31 -0.56 0.00 0.00 0.00 0.00 54.91 54.41 1i41 h ALA 330 Cb 0.33 -0.05 0.11 0.00 0.00 0.00 0.00 17.79 18.18 1i41 h ALA 330 CO -0.24 0.43 0.65 1.58 0.00 0.00 0.00 179.25 181.66 1i41 n HIS 331 N -3.81 2.61 -0.13 0.00 -0.00 -0.17 -4.92 115.22 108.81 1i41 n HIS 331 Ca -0.01 0.48 -0.13 0.00 -0.00 0.00 0.00 57.72 58.06 1i41 n HIS 331 Cb 0.42 -2.48 -0.02 0.00 -0.00 0.00 0.00 29.99 27.91 1i41 n HIS 331 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1i41 h PRO 332 N 2.95 0.95 0.00 1.57 0.13 -1.86 -3.04 132.00 132.70 1i41 h PRO 332 Ca -0.48 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1i41 h PRO 332 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1i41 h PRO 332 CO 0.65 1.15 0.00 1.63 -0.23 0.00 0.00 178.00 181.20 1i41 n LYS 333 N -4.06 0.24 -3.14 0.86 5.02 -1.26 -4.55 118.16 111.27 1i41 n LYS 333 Ca -0.02 0.08 -0.45 0.00 -2.02 0.00 0.00 58.31 55.90 1i41 n LYS 333 Cb 0.53 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 1i41 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i41 s VAL 334 N -2.69 4.86 0.17 -0.18 1.01 -1.15 -0.82 120.40 121.61 1i41 s VAL 334 Ca 0.19 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 1i41 s VAL 334 Cb 0.15 -4.46 0.06 0.00 0.00 0.00 0.00 36.38 32.14 1i41 s VAL 334 CO 0.37 -1.07 1.83 -0.09 0.00 0.00 0.00 175.10 176.14 1i41 h ARG 335 N 9.14 0.65 -3.39 2.72 2.43 -1.67 -3.46 114.38 120.80 1i41 h ARG 335 Ca -0.29 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.79 1i41 h ARG 335 Cb 1.09 -0.15 -0.13 0.00 -0.42 0.00 0.00 29.97 30.36 1i41 h ARG 335 CO 1.08 0.43 -0.06 -1.58 -1.51 0.00 0.00 179.97 178.33 1i41 s HIS 336 N -6.15 -0.20 -0.06 2.20 2.46 -1.08 -4.98 115.29 107.49 1i41 s HIS 336 Ca -0.13 -0.12 -0.03 0.00 0.47 0.00 0.00 55.06 55.25 1i41 s HIS 336 Cb 0.13 0.27 0.03 0.00 -0.13 0.00 0.00 32.58 32.88 1i41 s HIS 336 CO 0.74 -0.72 0.13 0.08 -2.47 0.00 0.00 174.74 172.50 1i41 s VAL 337 N -3.81 -0.05 -0.19 0.89 1.01 -1.26 -1.33 120.40 115.67 1i41 s VAL 337 Ca 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1i41 s VAL 337 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1i41 s VAL 337 CO -0.11 0.07 -0.05 -0.31 0.00 0.00 0.00 175.10 174.69 1i41 s TYR 338 N 1.05 2.96 -0.30 5.22 1.51 0.29 -4.86 117.35 123.22 1i41 s TYR 338 Ca -0.08 -0.66 -0.17 0.00 -1.01 0.00 0.00 57.07 55.15 1i41 s TYR 338 Cb -0.11 -2.02 0.18 0.00 -0.11 0.00 0.00 41.96 39.90 1i41 s TYR 338 CO -0.05 -0.32 1.11 -0.47 -1.11 0.00 0.00 175.55 174.71 1i41 s TYR 339 N 0.94 -0.42 0.59 2.71 5.04 -1.26 -2.79 117.35 122.16 1i41 s TYR 339 Ca -0.00 0.75 0.29 0.00 -2.44 0.00 0.00 57.07 55.66 1i41 s TYR 339 Cb -0.15 0.25 1.44 0.00 0.35 0.00 0.00 41.96 43.85 1i41 s TYR 339 CO 0.01 -0.21 1.85 -1.35 -1.34 0.00 0.00 175.55 174.51 1i41 h PRO 340 N 6.91 0.00 -0.43 4.97 0.11 -1.87 -1.10 132.00 140.59 1i41 h PRO 340 Ca -0.18 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.82 1i41 h PRO 340 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1i41 h PRO 340 CO 0.11 0.00 -0.20 0.78 -0.21 0.00 0.00 178.00 178.48 1i41 h GLY 341 N 0.00 0.92 -1.85 -0.55 0.00 -1.93 -3.41 103.07 96.24 1i41 h GLY 341 Ca 0.26 -0.78 -0.52 0.00 0.00 0.00 0.00 47.33 46.29 1i41 h GLY 341 CO -0.00 0.71 0.41 1.08 0.00 0.00 0.00 176.54 178.74 1i41 s LEU 342 N -8.98 3.48 0.44 3.11 1.43 -0.42 -4.92 118.68 112.81 1i41 s LEU 342 Ca -0.10 2.20 0.24 0.00 -1.03 0.00 0.00 54.13 55.44 1i41 s LEU 342 Cb 0.13 -4.58 0.65 0.00 0.03 0.00 0.00 46.19 42.42 1i41 s LEU 342 CO 0.85 -1.74 1.71 1.56 0.23 0.00 0.00 176.35 178.96 1i41 h GLN 343 N 0.29 0.00 0.00 1.70 4.20 -1.86 -3.02 115.11 116.42 1i41 h GLN 343 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1i41 h GLN 343 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1i41 h GLN 343 CO 0.53 0.15 0.00 0.66 -0.67 0.00 0.00 178.83 179.50 1i41 h SER 344 N 0.00 0.00 -2.93 1.46 4.64 -1.91 -3.45 113.55 111.37 1i41 h SER 344 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1i41 h SER 344 Cb 0.91 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1i41 h SER 344 CO 0.02 0.00 0.80 -2.28 -0.87 0.00 0.00 176.83 174.49 1i41 s HIS 345 N -3.55 3.05 0.29 4.77 5.04 -1.14 -4.93 115.29 118.80 1i41 s HIS 345 Ca 0.02 0.81 -0.02 0.00 -1.54 0.00 0.00 55.06 54.34 1i41 s HIS 345 Cb 0.09 -3.74 0.62 0.00 0.04 0.00 0.00 32.58 29.59 1i41 s HIS 345 CO 0.54 -2.68 1.59 -1.35 -2.34 0.00 0.00 174.74 170.49 1i41 h PRO 346 N 7.19 0.04 -0.56 2.88 0.11 -1.91 -0.13 132.00 139.63 1i41 h PRO 346 Ca -0.41 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.42 1i41 h PRO 346 Cb 1.20 -0.01 -0.17 0.00 0.11 0.00 0.00 31.00 32.14 1i41 h PRO 346 CO 0.89 0.03 0.16 -0.85 -0.21 0.00 0.00 178.00 178.01 1i41 n GLU 347 N -5.45 2.09 -0.32 1.05 0.00 -1.26 -4.68 120.64 112.07 1i41 n GLU 347 Ca 0.19 -3.12 0.09 0.00 0.00 0.00 0.00 57.16 54.32 1i41 n GLU 347 Cb 0.64 -1.95 0.26 0.00 0.00 0.00 0.00 31.44 30.39 1i41 n GLU 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1i41 h HIS 348 N 1.11 0.87 -0.46 -1.84 2.76 -1.25 0.19 115.15 116.53 1i41 h HIS 348 Ca 0.34 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.52 1i41 h HIS 348 Cb 2.05 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 30.74 1i41 h HIS 348 CO 1.20 0.21 0.17 1.12 -1.30 0.00 0.00 177.93 179.33 1i41 h HIS 349 N 0.68 0.66 -0.09 5.26 2.07 -1.83 0.16 115.15 122.06 1i41 h HIS 349 Ca 0.50 -0.03 -0.08 0.00 -2.85 0.00 0.00 60.37 57.91 1i41 h HIS 349 Cb 0.73 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1i41 h HIS 349 CO -0.06 0.53 -0.25 0.82 -3.07 0.00 0.00 177.93 175.90 1i41 h ILE 350 N 0.66 1.40 -0.49 6.12 2.04 -1.13 -2.24 117.51 123.87 1i41 h ILE 350 Ca 0.16 -1.58 0.07 0.00 1.00 0.00 0.00 64.86 64.50 1i41 h ILE 350 Cb 0.16 2.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 1i41 h ILE 350 CO -0.01 0.46 0.17 0.00 0.00 0.00 0.00 178.15 178.76 1i41 h ALA 351 N 0.48 0.59 0.00 1.87 0.00 -0.31 0.54 119.26 122.44 1i41 h ALA 351 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1i41 h ALA 351 Cb 0.86 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1i41 h ALA 351 CO 0.05 -0.23 -0.06 -0.22 0.00 0.00 0.00 179.25 178.79 1i41 h LYS 352 N 0.34 0.00 0.01 0.00 3.64 -0.65 0.19 116.57 120.09 1i41 h LYS 352 Ca 0.24 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.31 1i41 h LYS 352 Cb 0.26 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1i41 h LYS 352 CO -0.25 0.06 -1.82 1.17 -2.27 0.00 0.00 179.45 176.34 1i41 n LYS 353 N -3.54 0.65 -0.00 1.90 4.81 -0.03 -4.52 118.16 117.43 1i41 n LYS 353 Ca -0.02 0.26 0.04 0.00 -0.87 0.00 0.00 58.31 57.72 1i41 n LYS 353 Cb 0.17 -1.75 -0.05 0.00 0.02 0.00 0.00 35.03 33.42 1i41 n LYS 353 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i41 n GLN 354 N -3.05 3.80 -3.90 1.64 10.64 -0.02 -5.03 117.38 121.45 1i41 n GLN 354 Ca -0.20 -0.01 -0.23 0.00 -1.83 0.00 0.00 57.00 54.73 1i41 n GLN 354 Cb 1.06 -0.94 -0.06 0.00 -0.86 0.00 0.00 30.24 29.45 1i41 n GLN 354 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1i41 s MET 355 N -1.90 2.35 0.00 2.61 -1.94 0.64 -4.61 119.30 116.44 1i41 s MET 355 Ca 0.03 -1.73 0.00 0.00 -1.71 0.00 0.00 55.69 52.28 1i41 s MET 355 Cb 0.07 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.77 1i41 s MET 355 CO 0.37 -0.16 0.00 0.25 -0.01 0.00 0.00 175.02 175.47 1i41 n THR 356 N -1.37 0.00 -3.86 2.05 -2.24 -0.64 -4.77 114.28 103.45 1i41 n THR 356 Ca 0.01 -0.28 -0.07 0.00 -2.27 0.00 0.00 64.05 61.44 1i41 n THR 356 Cb 0.63 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 1i41 n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i41 n GLY 357 N 1.03 2.84 1.62 3.38 0.00 -1.26 -5.04 105.19 107.75 1i41 n GLY 357 Ca 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.52 1i41 n GLY 357 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i41 n PHE 358 N -0.27 0.11 -2.06 1.61 3.72 -1.26 -4.98 117.46 114.34 1i41 n PHE 358 Ca 0.01 -0.65 0.09 0.00 -0.05 0.00 0.00 57.45 56.85 1i41 n PHE 358 Cb 0.27 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1i41 n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i41 n GLY 359 N 0.40 -1.82 0.00 1.37 0.00 -1.26 -4.61 105.19 99.26 1i41 n GLY 359 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1i41 n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 360 N -2.18 2.06 3.77 -0.02 0.00 -1.26 -4.06 105.19 103.49 1i41 n GLY 360 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1i41 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 361 N -0.79 3.58 -0.04 4.61 0.00 -1.26 -1.07 121.76 126.78 1i41 s ALA 361 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1i41 s ALA 361 Cb 0.00 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1i41 s ALA 361 CO 0.00 0.21 -0.02 0.08 0.00 0.00 0.00 175.76 176.03 1i41 s VAL 362 N -0.09 0.37 -0.01 0.00 1.01 0.19 -4.95 120.40 116.92 1i41 s VAL 362 Ca 0.24 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1i41 s VAL 362 Cb -0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1i41 s VAL 362 CO 0.11 0.20 -0.06 -0.44 0.00 0.00 0.00 175.10 174.91 1i41 s SER 363 N 1.11 4.71 -0.27 3.32 0.01 -1.12 0.78 113.70 122.24 1i41 s SER 363 Ca -0.08 -0.10 -0.24 0.00 1.31 0.00 0.00 55.95 56.84 1i41 s SER 363 Cb -0.14 -1.14 0.08 0.00 0.21 0.00 0.00 66.02 65.04 1i41 s SER 363 CO -0.01 0.30 0.79 0.72 0.41 0.00 0.00 173.24 175.45 1i41 s PHE 364 N -0.97 -0.75 0.12 2.43 -0.71 0.15 0.11 117.98 118.35 1i41 s PHE 364 Ca 0.16 1.77 -0.20 0.00 -1.04 0.00 0.00 56.93 57.62 1i41 s PHE 364 Cb -0.11 0.34 -0.07 0.00 -1.21 0.00 0.00 43.02 41.96 1i41 s PHE 364 CO 0.07 -0.36 0.63 -1.21 -1.34 0.00 0.00 175.22 173.00 1i41 s GLU 365 N 0.54 4.27 0.01 1.99 2.02 -0.44 -1.04 118.70 126.04 1i41 s GLU 365 Ca -0.01 0.82 -0.04 0.00 0.02 0.00 0.00 54.97 55.77 1i41 s GLU 365 Cb -0.05 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1i41 s GLU 365 CO -0.04 0.58 0.22 0.08 0.02 0.00 0.00 175.26 176.13 1i41 s VAL 366 N -1.21 5.37 -1.15 2.63 1.01 -1.22 -2.15 120.40 123.69 1i41 s VAL 366 Ca 0.33 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 1i41 s VAL 366 Cb -0.19 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1i41 s VAL 366 CO 0.21 0.29 1.95 -0.67 0.00 0.00 0.00 175.10 176.89 1i41 n ASP 367 N 0.86 3.50 0.00 3.32 2.03 0.00 -4.70 116.55 121.57 1i41 n ASP 367 Ca -0.10 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1i41 n ASP 367 Cb 0.52 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1i41 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i41 n GLY 368 N 4.96 1.40 0.73 0.27 0.00 -1.26 -5.02 105.19 106.27 1i41 n GLY 368 Ca 0.49 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1i41 n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i41 n ASP 369 N 0.00 1.88 0.00 1.61 5.75 -1.26 -4.75 116.55 119.78 1i41 n ASP 369 Ca 0.00 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 1i41 n ASP 369 Cb 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1i41 n ASP 369 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1i41 n LEU 370 N 0.00 0.00 -0.25 -2.12 -0.00 -1.26 0.58 117.00 113.95 1i41 n LEU 370 Ca -0.03 0.98 0.16 0.00 -0.00 0.00 0.00 56.01 57.12 1i41 n LEU 370 Cb 0.13 -0.48 0.46 0.00 -0.00 0.00 0.00 43.42 43.54 1i41 n LEU 370 CO 0.07 -0.48 1.22 -0.07 -0.00 0.00 0.00 177.39 178.13 1i41 h LEU 371 N 0.00 0.49 0.35 -1.96 -0.00 -1.97 -0.18 115.31 112.04 1i41 h LEU 371 Ca 0.00 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1i41 h LEU 371 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1i41 h LEU 371 CO 0.00 0.22 -0.17 0.74 -0.00 0.00 0.00 178.44 179.23 1i41 h THR 372 N 0.50 0.51 -0.76 0.22 2.02 -1.61 -1.70 112.91 112.09 1i41 h THR 372 Ca 0.46 -0.67 0.15 0.00 0.77 0.00 0.00 66.41 67.12 1i41 h THR 372 Cb 0.99 0.78 -0.10 0.00 -1.74 0.00 0.00 68.15 68.09 1i41 h THR 372 CO -0.19 0.10 0.31 0.74 0.37 0.00 0.00 175.52 176.85 1i41 h THR 373 N -0.92 0.65 0.12 3.16 2.02 0.68 -0.38 112.91 118.25 1i41 h THR 373 Ca -0.05 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1i41 h THR 373 Cb 0.53 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1i41 h THR 373 CO 0.08 0.08 -0.33 0.00 0.37 0.00 0.00 175.52 175.72 1i41 h ALA 374 N 1.56 -0.57 -1.05 6.16 0.00 -1.02 -0.41 119.26 123.93 1i41 h ALA 374 Ca 0.42 -0.05 0.35 0.00 0.00 0.00 0.00 54.91 55.62 1i41 h ALA 374 Cb 0.65 0.54 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1i41 h ALA 374 CO -0.41 -0.88 0.62 -0.22 0.00 0.00 0.00 179.25 178.36 1i41 h LYS 375 N -0.56 0.25 0.00 0.00 3.64 -0.12 0.49 116.57 120.27 1i41 h LYS 375 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1i41 h LYS 375 Cb 0.59 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1i41 h LYS 375 CO -0.19 0.17 0.00 0.34 -2.27 0.00 0.00 179.45 177.49 1i41 n PHE 376 N -4.99 0.00 -0.35 1.91 7.35 -0.20 -2.12 117.46 119.07 1i41 n PHE 376 Ca 0.33 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 57.26 1i41 n PHE 376 Cb 1.08 -0.42 0.49 0.00 0.35 0.00 0.00 39.48 40.99 1i41 n PHE 376 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1i41 h VAL 377 N 0.00 0.40 -0.20 -2.13 -1.51 -0.96 0.81 116.25 112.67 1i41 h VAL 377 Ca 0.00 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1i41 h VAL 377 Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 1i41 h VAL 377 CO 0.00 0.07 0.11 0.44 -1.23 0.00 0.00 177.57 176.95 1i41 h ASP 378 N 0.37 0.23 0.30 4.19 5.19 -0.84 -2.21 116.42 123.65 1i41 h ASP 378 Ca 0.68 -0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.93 1i41 h ASP 378 Cb 1.66 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 41.10 1i41 h ASP 378 CO -0.44 0.19 -0.60 0.00 -3.12 0.00 0.00 179.24 175.28 1i41 h ALA 379 N 1.85 0.82 -2.29 3.45 0.00 0.12 -3.45 119.26 119.76 1i41 h ALA 379 Ca 0.07 -0.54 -0.59 0.00 0.00 0.00 0.00 54.91 53.85 1i41 h ALA 379 Cb 0.01 -0.08 0.13 0.00 0.00 0.00 0.00 17.79 17.85 1i41 h ALA 379 CO -0.01 0.72 0.13 1.28 0.00 0.00 0.00 179.25 181.37 1i41 n LEU 380 N -3.89 2.26 -0.02 0.00 4.77 -0.83 -4.86 117.00 114.42 1i41 n LEU 380 Ca -0.03 1.07 -0.01 0.00 -0.03 0.00 0.00 56.01 57.01 1i41 n LEU 380 Cb 0.62 -1.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.33 1i41 n LEU 380 CO 0.45 -1.52 -0.67 0.29 -1.33 0.00 0.00 177.39 174.60 1i41 n LYS 381 N 0.34 1.90 -0.05 3.23 4.76 -1.26 -4.86 118.16 122.21 1i41 n LYS 381 Ca 0.09 -0.03 -0.03 0.00 -2.87 0.00 0.00 58.31 55.48 1i41 n LYS 381 Cb 0.37 -1.17 -0.01 0.00 -1.84 0.00 0.00 35.03 32.38 1i41 n LYS 381 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1i41 h ILE 382 N 0.00 0.00 -4.13 -0.18 2.04 -1.97 -3.48 117.51 109.79 1i41 h ILE 382 Ca -0.12 -0.80 -0.54 0.00 1.00 0.00 0.00 64.86 64.40 1i41 h ILE 382 Cb 1.02 0.00 0.15 0.00 -0.74 0.00 0.00 36.82 37.24 1i41 h ILE 382 CO 0.01 0.00 0.45 -2.16 0.00 0.00 0.00 178.15 176.45 1i41 s PRO 383 N -1.87 2.49 0.06 2.37 0.04 -1.26 -4.78 135.00 132.05 1i41 s PRO 383 Ca -0.09 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1i41 s PRO 383 Cb 0.01 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1i41 s PRO 383 CO 0.14 -1.59 0.41 0.71 0.04 0.00 0.00 177.00 176.70 1i41 s TYR 384 N -1.69 3.62 -0.55 0.56 2.02 0.66 -4.81 117.35 117.15 1i41 s TYR 384 Ca 0.78 0.85 -0.24 0.00 -0.37 0.00 0.00 57.07 58.09 1i41 s TYR 384 Cb -0.32 -2.20 0.04 0.00 -0.40 0.00 0.00 41.96 39.08 1i41 s TYR 384 CO 0.40 0.55 0.92 0.42 -1.57 0.00 0.00 175.55 176.28 1i41 s ILE 385 N -1.31 4.41 0.09 2.71 1.01 -1.26 -0.98 121.20 125.88 1i41 s ILE 385 Ca 0.30 0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.91 1i41 s ILE 385 Cb -0.15 -4.53 0.09 0.00 0.01 0.00 0.00 42.46 37.88 1i41 s ILE 385 CO 0.17 -1.11 1.10 0.00 0.00 0.00 0.00 174.94 175.10 1i41 s ALA 386 N 3.88 -1.89 1.00 9.38 0.00 -0.75 -4.96 121.76 128.41 1i41 s ALA 386 Ca 0.29 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1i41 s ALA 386 Cb -0.13 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1i41 s ALA 386 CO 0.19 -1.06 0.00 -2.30 0.00 0.00 0.00 175.76 172.59 1i41 n PRO 387 N -0.55 0.92 -1.39 0.00 -0.02 -1.26 -4.44 135.00 128.25 1i41 n PRO 387 Ca -0.06 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.60 1i41 n PRO 387 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.03 1i41 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i41 n SER 388 N -0.20 -8.35 -3.61 2.55 2.88 -1.26 -4.95 113.62 100.69 1i41 n SER 388 Ca 0.00 0.91 -0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1i41 n SER 388 Cb 0.00 -4.45 -0.01 0.00 -0.75 0.00 0.00 64.21 59.00 1i41 n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i41 s PHE 389 N -3.02 -0.05 0.00 0.66 -0.12 -1.26 -4.93 117.98 109.26 1i41 s PHE 389 Ca 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 1i41 s PHE 389 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1i41 s PHE 389 CO 0.00 -0.18 0.00 0.41 -0.05 0.00 0.00 175.22 175.40 1i41 n GLY 390 N -0.32 0.58 3.95 1.99 0.00 -1.26 -4.20 105.19 105.93 1i41 n GLY 390 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1i41 n GLY 390 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 391 N -1.17 1.47 0.43 -0.02 0.00 -1.26 -4.12 107.32 102.66 1i41 s GLY 391 Ca 0.00 -1.02 0.17 0.00 0.00 0.00 0.00 44.72 43.87 1i41 s GLY 391 CO 0.00 -0.90 1.91 0.00 0.00 0.00 0.00 173.10 174.11 1i41 s GLU 393 N -5.38 4.52 0.14 0.00 8.01 -1.26 -0.36 118.70 124.37 1i41 s GLU 393 Ca -0.08 1.34 -0.21 0.00 0.01 0.00 0.00 54.97 56.04 1i41 s GLU 393 Cb 0.21 -2.74 -0.07 0.00 -4.31 0.00 0.00 34.13 27.21 1i41 s GLU 393 CO 0.77 0.22 0.67 -1.12 0.01 0.00 0.00 175.26 175.80 1i41 s SER 394 N -1.63 7.16 0.05 -0.19 0.01 -1.26 -4.30 113.70 113.53 1i41 s SER 394 Ca 0.52 1.41 0.04 0.00 1.31 0.00 0.00 55.95 59.22 1i41 s SER 394 Cb -0.19 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1i41 s SER 394 CO 0.24 0.20 -0.12 -0.63 0.41 0.00 0.00 173.24 173.33 1i41 s ILE 395 N -1.22 0.92 0.08 1.44 1.01 -0.89 -0.25 121.20 122.29 1i41 s ILE 395 Ca 0.34 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1i41 s ILE 395 Cb -0.20 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1i41 s ILE 395 CO 0.22 -0.17 -0.07 0.68 0.00 0.00 0.00 174.94 175.59 1i41 s VAL 396 N -1.10 0.68 -0.06 2.92 -7.23 -0.15 -0.81 120.40 114.65 1i41 s VAL 396 Ca -0.03 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 1i41 s VAL 396 Cb -0.09 -1.35 0.11 0.00 0.56 0.00 0.00 36.38 35.62 1i41 s VAL 396 CO 0.01 -0.70 0.95 1.51 -0.31 0.00 0.00 175.10 176.56 1i41 s ASP 397 N -2.57 -0.35 -0.84 4.85 -4.77 -1.06 -1.82 116.67 110.11 1i41 s ASP 397 Ca 0.05 0.11 -0.04 0.00 -3.30 0.00 0.00 52.55 49.37 1i41 s ASP 397 Cb 0.00 0.34 0.21 0.00 -1.09 0.00 0.00 42.92 42.38 1i41 s ASP 397 CO -0.03 -0.51 0.73 -1.58 0.70 0.00 0.00 175.17 174.48 1i41 s GLN 398 N -2.53 3.21 0.14 2.11 0.74 -1.26 -1.88 119.66 120.20 1i41 s GLN 398 Ca 0.04 -3.03 0.01 0.00 0.05 0.00 0.00 55.36 52.42 1i41 s GLN 398 Cb -0.01 -3.99 0.34 0.00 1.10 0.00 0.00 33.01 30.45 1i41 s GLN 398 CO -0.06 -1.24 0.72 -2.30 -0.55 0.00 0.00 175.29 171.86 1i41 n PRO 399 N 2.77 -0.04 -0.23 1.67 -0.02 -1.26 0.20 135.00 138.09 1i41 n PRO 399 Ca 0.18 0.69 -0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1i41 n PRO 399 Cb 0.38 -1.09 0.07 0.00 -0.02 0.00 0.00 33.50 32.84 1i41 n PRO 399 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i41 h ALA 400 N 0.91 0.43 0.00 3.55 0.00 -1.85 0.75 119.26 123.06 1i41 h ALA 400 Ca 0.27 0.26 -0.20 0.00 0.00 0.00 0.00 54.91 55.24 1i41 h ALA 400 Cb 0.55 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1i41 h ALA 400 CO -0.43 -0.43 -1.10 0.82 0.00 0.00 0.00 179.25 178.11 1i41 h ILE 401 N -0.01 1.03 -0.93 0.00 2.04 0.18 -0.24 117.51 119.59 1i41 h ILE 401 Ca 0.32 -2.20 0.22 0.00 1.00 0.00 0.00 64.86 64.19 1i41 h ILE 401 Cb 0.49 2.38 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 1i41 h ILE 401 CO -0.69 0.35 0.61 -0.03 0.00 0.00 0.00 178.15 178.40 1i41 h MET 402 N -0.99 0.39 0.00 2.37 4.05 -0.34 -3.26 114.93 117.15 1i41 h MET 402 Ca -0.30 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 58.94 1i41 h MET 402 Cb 1.27 -0.09 -0.25 0.00 -0.80 0.00 0.00 31.60 31.73 1i41 h MET 402 CO -0.18 0.26 -0.64 0.43 0.23 0.00 0.00 176.91 177.01 1i41 n SER 403 N -4.52 -0.05 0.00 1.39 7.64 0.23 -4.90 113.62 113.41 1i41 n SER 403 Ca 0.20 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.09 1i41 n SER 403 Cb 0.73 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1i41 n SER 403 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1i41 n TYR 404 N 0.23 0.00 0.28 1.43 4.02 -1.05 -4.90 117.16 117.18 1i41 n TYR 404 Ca -0.12 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 57.96 1i41 n TYR 404 Cb 0.91 0.07 0.97 0.00 -0.02 0.00 0.00 39.34 41.27 1i41 n TYR 404 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1i41 h TRP 405 N 0.00 0.00 0.00 -0.72 2.91 -1.07 0.03 115.95 117.10 1i41 h TRP 405 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1i41 h TRP 405 Cb 0.74 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 1i41 h TRP 405 CO 0.00 0.00 0.00 -0.40 -1.03 0.00 0.00 178.44 177.01 1i41 n ASP 406 N -2.79 0.00 -4.72 2.65 5.75 -1.26 -4.78 116.55 111.40 1i41 n ASP 406 Ca -0.02 0.03 -0.23 0.00 -0.01 0.00 0.00 54.79 54.56 1i41 n ASP 406 Cb 0.08 -0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 39.80 1i41 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i41 s LEU 407 N -2.60 3.22 0.51 -2.12 1.43 -0.00 -5.12 118.68 114.00 1i41 s LEU 407 Ca 0.18 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1i41 s LEU 407 Cb 0.13 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 1i41 s LEU 407 CO 0.31 -0.28 0.99 -0.94 0.23 0.00 0.00 176.35 176.66 1i41 s SER 408 N -3.82 6.54 0.41 2.29 1.04 -1.26 -4.81 113.70 114.09 1i41 s SER 408 Ca 0.37 1.63 0.20 0.00 0.48 0.00 0.00 55.95 58.63 1i41 s SER 408 Cb -0.02 -2.52 1.15 0.00 0.10 0.00 0.00 66.02 64.73 1i41 s SER 408 CO 0.22 -0.64 1.77 -0.61 0.98 0.00 0.00 173.24 174.96 1i41 h GLN 409 N 0.99 0.34 0.08 4.02 5.75 -1.97 0.43 115.11 124.75 1i41 h GLN 409 Ca -0.47 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1i41 h GLN 409 Cb 1.19 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1i41 h GLN 409 CO 0.61 0.23 -0.04 0.66 -2.65 0.00 0.00 178.83 177.63 1i41 h SER 410 N 0.35 -0.10 -0.04 -0.69 4.64 -1.99 -2.86 113.55 112.86 1i41 h SER 410 Ca 0.60 -0.49 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1i41 h SER 410 Cb 1.60 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1i41 h SER 410 CO -0.28 0.56 0.04 0.44 -0.87 0.00 0.00 176.83 176.72 1i41 h ASP 411 N -0.87 0.00 0.04 4.97 3.32 -1.62 -2.02 116.42 120.24 1i41 h ASP 411 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1i41 h ASP 411 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1i41 h ASP 411 CO 0.02 0.00 -0.02 0.03 -1.72 0.00 0.00 179.24 177.55 1i41 h ARG 412 N 0.00 -0.06 0.00 3.56 3.08 -0.21 -2.96 114.38 117.79 1i41 h ARG 412 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1i41 h ARG 412 Cb 0.10 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1i41 h ARG 412 CO -0.00 0.43 0.00 0.00 -1.07 0.00 0.00 179.97 179.33 1i41 h ALA 413 N 0.33 1.00 0.00 0.04 0.00 -1.14 -1.68 119.26 117.81 1i41 h ALA 413 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i41 h ALA 413 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1i41 h ALA 413 CO 0.01 0.00 0.20 -0.22 0.00 0.00 0.00 179.25 179.24 1i41 h LYS 414 N 0.00 0.00 -1.09 0.00 3.64 -1.22 -2.48 116.57 115.42 1i41 h LYS 414 Ca 0.00 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.98 1i41 h LYS 414 Cb 0.07 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.49 1i41 h LYS 414 CO 0.00 0.00 -1.12 0.66 -2.27 0.00 0.00 179.45 176.72 1i41 n TYR 415 N -2.43 1.51 0.00 1.91 4.01 -0.63 -4.99 117.16 116.54 1i41 n TYR 415 Ca -0.02 -2.85 0.00 0.00 -0.16 0.00 0.00 57.90 54.87 1i41 n TYR 415 Cb 0.23 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1i41 n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 416 N -0.12 0.22 3.51 2.72 0.00 -0.93 -4.87 105.19 105.71 1i41 n GLY 416 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1i41 n GLY 416 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i41 n ILE 417 N -0.76 0.13 -4.06 -0.61 2.08 -1.24 -4.92 119.36 109.96 1i41 n ILE 417 Ca 0.00 -0.42 -0.22 0.00 0.56 0.00 0.00 62.75 62.67 1i41 n ILE 417 Cb 0.00 -2.03 -0.04 0.00 -0.75 0.00 0.00 39.64 36.82 1i41 n ILE 417 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1i41 s MET 418 N 7.10 3.08 0.16 0.38 -1.94 -1.26 -3.80 119.30 123.02 1i41 s MET 418 Ca 1.08 -0.97 0.23 0.00 -1.71 0.00 0.00 55.69 54.32 1i41 s MET 418 Cb -0.61 -2.67 0.90 0.00 2.01 0.00 0.00 34.83 34.47 1i41 s MET 418 CO 0.40 0.41 1.70 -0.25 -0.01 0.00 0.00 175.02 177.26 1i41 n ASP 419 N -1.26 0.47 0.02 3.03 9.92 -1.26 -2.76 116.55 124.72 1i41 n ASP 419 Ca -0.08 0.59 -0.22 0.00 -0.53 0.00 0.00 54.79 54.55 1i41 n ASP 419 Cb 0.58 -0.70 -0.14 0.00 -0.64 0.00 0.00 41.12 40.22 1i41 n ASP 419 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1i41 h ASN 420 N 0.00 0.43 -0.85 -2.24 4.21 -1.86 -3.38 115.58 111.89 1i41 h ASN 420 Ca 0.00 -0.89 -0.72 0.00 1.21 0.00 0.00 56.30 55.90 1i41 h ASN 420 Cb 0.44 -0.14 0.02 0.00 -1.12 0.00 0.00 38.32 37.53 1i41 h ASN 420 CO 0.00 1.74 0.36 -0.11 -1.29 0.00 0.00 177.43 178.13 1i41 n LEU 421 N -3.72 0.58 -3.98 1.61 7.94 -1.11 -3.37 117.00 114.95 1i41 n LEU 421 Ca -0.28 1.01 -0.22 0.00 -1.11 0.00 0.00 56.01 55.40 1i41 n LEU 421 Cb 0.98 -0.77 -0.16 0.00 0.53 0.00 0.00 43.42 44.01 1i41 n LEU 421 CO 0.43 -1.11 -0.45 -0.69 -1.11 0.00 0.00 177.39 174.46 1i41 s VAL 422 N 1.45 0.89 -0.29 1.96 1.01 -0.21 -4.34 120.40 120.88 1i41 s VAL 422 Ca 0.85 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1i41 s VAL 422 Cb -1.20 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1i41 s VAL 422 CO 0.61 0.29 0.07 -0.60 0.00 0.00 0.00 175.10 175.47 1i41 s ARG 423 N 0.62 3.06 -0.24 2.72 3.52 -0.79 -0.68 118.95 127.16 1i41 s ARG 423 Ca -0.11 -0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 54.55 1i41 s ARG 423 Cb -0.14 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 1i41 s ARG 423 CO 0.02 -0.44 0.04 0.12 -0.81 0.00 0.00 175.30 174.23 1i41 s PHE 424 N 1.48 3.06 -0.51 5.12 2.19 0.23 -2.57 117.98 126.98 1i41 s PHE 424 Ca 0.02 -0.53 -0.12 0.00 0.33 0.00 0.00 56.93 56.64 1i41 s PHE 424 Cb -0.17 -2.20 0.13 0.00 -1.31 0.00 0.00 43.02 39.46 1i41 s PHE 424 CO 0.02 -0.39 0.42 0.45 1.83 0.00 0.00 175.22 177.55 1i41 s SER 425 N 1.55 5.91 0.08 6.13 0.15 0.01 0.57 113.70 128.11 1i41 s SER 425 Ca 0.06 -1.91 -0.31 0.00 0.70 0.00 0.00 55.95 54.49 1i41 s SER 425 Cb -0.15 -2.09 -0.08 0.00 -1.71 0.00 0.00 66.02 61.99 1i41 s SER 425 CO 0.02 -0.75 1.59 -0.36 1.20 0.00 0.00 173.24 174.94 1i41 s PHE 426 N 1.39 2.64 0.00 3.44 0.08 -0.23 -2.10 117.98 123.20 1i41 s PHE 426 Ca 0.05 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1i41 s PHE 426 Cb -0.27 -3.90 0.00 0.00 -0.57 0.00 0.00 43.02 38.28 1i41 s PHE 426 CO 0.00 -3.51 0.00 0.41 -0.10 0.00 0.00 175.22 172.02 1i41 n GLY 427 N 3.88 -0.29 0.00 4.36 0.00 -1.26 -4.80 105.19 107.08 1i41 n GLY 427 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1i41 n GLY 427 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i41 n VAL 428 N 0.00 0.00 -0.79 1.61 0.31 0.51 -4.58 118.33 115.39 1i41 n VAL 428 Ca 0.00 -0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 63.57 1i41 n VAL 428 Cb 0.00 1.10 0.12 0.00 -0.91 0.00 0.00 33.84 34.15 1i41 n VAL 428 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i41 n GLU 429 N -0.31 -0.62 -1.90 5.55 4.71 -1.26 -4.85 120.64 121.97 1i41 n GLU 429 Ca 0.00 -0.15 -0.41 0.00 -0.01 0.00 0.00 57.16 56.59 1i41 n GLU 429 Cb 0.02 -1.68 -0.02 0.00 -1.01 0.00 0.00 31.44 28.76 1i41 n GLU 429 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1i41 s ASP 430 N -1.81 6.51 0.08 1.62 2.15 -1.26 -4.89 116.67 119.07 1i41 s ASP 430 Ca 0.54 2.85 -0.23 0.00 0.43 0.00 0.00 52.55 56.14 1i41 s ASP 430 Cb -0.17 -2.64 -0.08 0.00 -0.30 0.00 0.00 42.92 39.73 1i41 s ASP 430 CO 0.69 -0.79 1.37 0.15 -0.17 0.00 0.00 175.17 176.42 1i41 h PHE 431 N 4.32 -1.10 -0.79 -5.34 3.57 -1.99 -1.97 116.94 113.65 1i41 h PHE 431 Ca -0.48 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.25 1i41 h PHE 431 Cb 1.22 0.50 -0.14 0.00 2.79 0.00 0.00 35.95 40.33 1i41 h PHE 431 CO 0.58 -0.36 0.01 -0.44 -2.23 0.00 0.00 178.31 175.87 1i41 h ASP 432 N -0.37 -0.35 -0.51 0.41 3.32 -1.98 0.30 116.42 117.22 1i41 h ASP 432 Ca 0.03 0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.36 1i41 h ASP 432 Cb 0.45 0.36 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 1i41 h ASP 432 CO -0.31 -0.19 0.16 0.44 -1.72 0.00 0.00 179.24 177.61 1i41 h ASP 433 N 0.10 0.13 0.68 6.45 3.32 -1.80 0.16 116.42 125.45 1i41 h ASP 433 Ca 0.43 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.52 1i41 h ASP 433 Cb 0.78 0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.41 1i41 h ASP 433 CO -0.69 0.10 -0.33 -0.07 -1.72 0.00 0.00 179.24 176.53 1i41 h LEU 434 N 0.32 -0.77 -0.27 1.55 3.38 0.17 -2.09 115.31 117.59 1i41 h LEU 434 Ca 0.25 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1i41 h LEU 434 Cb 0.30 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1i41 h LEU 434 CO -0.28 -0.44 -0.51 0.50 0.09 0.00 0.00 178.44 177.80 1i41 h LYS 435 N -1.11 -0.45 -0.70 1.13 3.64 -0.59 0.26 116.57 118.75 1i41 h LYS 435 Ca -0.09 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.46 1i41 h LYS 435 Cb 0.73 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.52 1i41 h LYS 435 CO 0.15 -0.30 -0.21 0.00 -2.27 0.00 0.00 179.45 176.83 1i41 h ALA 436 N -0.01 0.39 0.13 5.00 0.00 -0.73 0.34 119.26 124.38 1i41 h ALA 436 Ca 0.07 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1i41 h ALA 436 Cb 0.63 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1i41 h ALA 436 CO -0.51 -0.46 -0.12 0.22 0.00 0.00 0.00 179.25 178.38 1i41 h ASP 437 N -0.03 -0.33 -0.69 0.00 3.58 -0.21 0.20 116.42 118.94 1i41 h ASP 437 Ca 0.33 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.87 1i41 h ASP 437 Cb 0.53 0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.60 1i41 h ASP 437 CO -0.74 -0.16 -0.49 0.40 -2.88 0.00 0.00 179.24 175.37 1i41 h ILE 438 N -0.25 0.00 -0.20 2.25 2.04 0.22 0.16 117.51 121.73 1i41 h ILE 438 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1i41 h ILE 438 Cb 0.21 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 1i41 h ILE 438 CO -0.01 0.00 -0.53 -0.07 0.00 0.00 0.00 178.15 177.54 1i41 h LEU 439 N -0.09 -1.69 -1.21 1.44 3.38 -0.28 0.16 115.31 117.02 1i41 h LEU 439 Ca 0.11 0.21 0.28 0.00 0.09 0.00 0.00 57.88 58.57 1i41 h LEU 439 Cb 0.39 0.67 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1i41 h LEU 439 CO -0.70 -0.46 0.65 -0.61 0.09 0.00 0.00 178.44 177.41 1i41 h GLN 440 N -0.52 0.42 0.33 1.13 -0.00 0.56 0.18 115.11 117.19 1i41 h GLN 440 Ca 0.05 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1i41 h GLN 440 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.05 1i41 h GLN 440 CO -0.47 0.27 -0.16 0.00 0.00 0.00 0.00 178.83 178.47 1i41 h ALA 441 N 1.68 -0.90 -0.90 3.38 0.00 0.21 -3.20 119.26 119.52 1i41 h ALA 441 Ca 0.64 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.67 1i41 h ALA 441 Cb 1.51 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 19.35 1i41 h ALA 441 CO -0.40 -0.87 0.42 -0.07 0.00 0.00 0.00 179.25 178.33 1i41 h LEU 442 N -0.52 0.40 0.00 0.00 3.38 -0.39 0.39 115.31 118.56 1i41 h LEU 442 Ca -0.04 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1i41 h LEU 442 Cb 0.33 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1i41 h LEU 442 CO 0.07 0.05 0.03 0.47 0.09 0.00 0.00 178.44 179.15 1i41 n ASP 443 N -5.00 0.00 -1.94 -0.43 9.92 0.55 -1.34 116.55 118.31 1i41 n ASP 443 Ca 0.22 0.12 -0.17 0.00 -0.53 0.00 0.00 54.79 54.42 1i41 n ASP 443 Cb 0.62 -0.12 0.19 0.00 -0.64 0.00 0.00 41.12 41.18 1i41 n ASP 443 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1i41 n SER 444 N -1.05 3.51 0.00 -2.24 7.64 0.14 -5.07 113.62 116.55 1i41 n SER 444 Ca 0.00 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.26 1i41 n SER 444 Cb 0.03 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1i41 n SER 444 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65