#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i41 n ALA 51 N 0.00 0.40 -0.07 2.98 0.00 -1.26 -5.07 120.51 117.49 1i41 n ALA 51 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.61 1i41 n ALA 51 Cb 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 1i41 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i41 n SER 52 N -2.58 2.71 0.00 0.00 3.41 -1.26 -4.48 113.62 111.43 1i41 n SER 52 Ca 0.04 -0.04 0.09 0.00 -0.26 0.00 0.00 58.87 58.71 1i41 n SER 52 Cb 0.21 -0.23 0.46 0.00 -0.26 0.00 0.00 64.21 64.38 1i41 n SER 52 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1i41 n PHE 53 N -2.98 0.00 -3.68 7.33 1.16 -1.26 -4.53 117.46 113.50 1i41 n PHE 53 Ca -0.24 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 54.96 1i41 n PHE 53 Cb 0.74 -0.35 -0.12 0.00 -1.61 0.00 0.00 39.48 38.15 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 -2.69 3.96 -0.03 5.98 1.43 -1.26 -4.93 118.68 121.14 1i41 s LEU 54 Ca 0.15 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1i41 s LEU 54 Cb 0.13 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1i41 s LEU 54 CO 0.30 -0.15 -0.02 0.59 0.23 0.00 0.00 176.35 177.30 1i41 n ASN 55 N 4.97 3.91 -4.80 2.29 3.02 -1.26 -4.78 115.26 118.61 1i41 n ASN 55 Ca -0.14 -0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 54.02 1i41 n ASN 55 Cb 0.50 0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.69 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 -4.07 7.20 0.12 6.41 0.15 -1.26 -4.99 113.70 117.26 1i41 s SER 56 Ca -0.03 1.51 -0.27 0.00 0.70 0.00 0.00 55.95 57.85 1i41 s SER 56 Cb 0.01 -2.45 -0.06 0.00 -1.71 0.00 0.00 66.02 61.81 1i41 s SER 56 CO 0.07 0.13 1.62 0.44 1.20 0.00 0.00 173.24 176.71 1i41 h ASP 57 N 3.91 -0.88 -0.78 5.45 3.32 -1.99 -2.31 116.42 123.14 1i41 h ASP 57 Ca -0.48 0.11 0.17 0.00 0.02 0.00 0.00 57.03 56.86 1i41 h ASP 57 Cb 1.20 0.35 -0.14 0.00 0.22 0.00 0.00 39.33 40.96 1i41 h ASP 57 CO 0.65 -0.37 -0.07 1.23 -1.72 0.00 0.00 179.24 178.97 1i41 h GLY 58 N -0.46 0.77 0.72 2.75 0.00 -1.99 0.66 103.07 105.53 1i41 h GLY 58 Ca 0.06 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1i41 h GLY 58 CO -0.24 -0.31 0.36 1.76 0.00 0.00 0.00 176.54 178.12 1i41 h SER 59 N 0.05 0.55 0.53 0.19 0.02 -1.85 -2.47 113.55 110.58 1i41 h SER 59 Ca 0.41 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.36 1i41 h SER 59 Cb 0.71 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.17 1i41 h SER 59 CO -0.74 0.36 -0.25 0.58 -1.14 0.00 0.00 176.83 175.64 1i41 h VAL 60 N 0.68 0.00 -0.72 2.27 2.07 0.64 -2.06 116.25 119.13 1i41 h VAL 60 Ca 0.28 -0.02 0.29 0.00 0.82 0.00 0.00 66.70 68.08 1i41 h VAL 60 Cb 0.15 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.79 1i41 h VAL 60 CO -0.16 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.76 1i41 n ALA 61 N -2.36 0.69 0.06 1.67 0.00 0.10 0.17 120.51 120.83 1i41 n ALA 61 Ca -0.09 0.74 -0.02 0.00 0.00 0.00 0.00 53.44 54.07 1i41 n ALA 61 Cb 0.28 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.06 0.00 2.04 -1.10 -3.37 117.51 115.03 1i41 h ILE 62 Ca 0.59 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.33 1i41 h ILE 62 Cb 1.52 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1i41 h ILE 62 CO -0.58 0.00 0.00 1.41 0.00 0.00 0.00 178.15 178.98 1i41 n HIS 63 N -2.76 0.07 -1.67 1.37 8.25 -0.33 -4.91 115.22 115.23 1i41 n HIS 63 Ca -0.02 -0.03 -0.45 0.00 -0.26 0.00 0.00 57.72 56.96 1i41 n HIS 63 Cb 0.06 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.03 1.42 -3.43 -1.41 0.00 0.45 -2.10 120.51 115.40 1i41 n ALA 64 Ca 0.18 0.27 -0.18 0.00 0.00 0.00 0.00 53.44 53.71 1i41 n ALA 64 Cb 0.29 -2.59 0.09 0.00 0.00 0.00 0.00 19.45 17.24 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 4.39 -0.37 2.15 0.00 0.00 -1.26 -4.30 105.19 105.80 1i41 n GLY 65 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.19 0.00 -0.27 1.61 1.02 -0.89 -4.82 120.64 113.09 1i41 n GLU 66 Ca -0.25 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.07 1i41 n GLU 66 Cb 0.66 0.00 0.49 0.00 -0.02 0.00 0.00 31.44 32.56 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 0.44 0.00 3.49 9.65 -1.79 -2.01 114.38 124.16 1i41 h ARG 67 Ca 0.00 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.71 1i41 h ARG 67 Cb 0.00 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 1i41 h ARG 67 CO 0.00 0.29 -1.20 -0.07 2.80 0.00 0.00 179.97 181.79 1i41 h LEU 68 N 0.45 0.00 0.00 3.80 3.38 -1.93 -3.50 115.31 117.51 1i41 h LEU 68 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1i41 h LEU 68 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1i41 h LEU 68 CO -0.22 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1i41 n GLY 69 N 1.34 2.75 0.00 0.83 0.00 -0.76 -5.07 105.19 104.29 1i41 n GLY 69 Ca -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1i41 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i41 n ARG 70 N -0.81 2.10 0.00 1.61 1.74 -1.26 -3.80 116.66 116.25 1i41 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1i41 n ARG 70 Cb 0.00 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i41 n GLY 71 N 2.43 0.99 2.37 -0.13 0.00 -1.26 -4.90 105.19 104.70 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 0.92 -1.36 -0.61 3.06 -1.26 -5.09 119.36 113.03 1i41 n ILE 72 Ca 0.00 -4.62 -0.53 0.00 -2.50 0.00 0.00 62.75 55.10 1i41 n ILE 72 Cb 0.00 -2.02 -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 1.28 0.00 -3.56 9.51 0.31 -1.26 -4.97 118.33 119.64 1i41 n VAL 73 Ca 0.26 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.42 1i41 n VAL 73 Cb 0.45 -0.19 -0.06 0.00 -0.91 0.00 0.00 33.84 33.13 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 1.13 0.00 -0.46 2.52 -4.23 -1.26 -5.00 115.64 108.34 1i41 s THR 74 Ca 0.82 -0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.41 1i41 s THR 74 Cb -1.16 -1.00 0.54 0.00 1.34 0.00 0.00 72.50 72.23 1i41 s THR 74 CO 0.57 -0.00 1.39 -0.90 -0.54 0.00 0.00 174.62 175.14 1i41 n ASP 75 N 1.48 4.11 -4.87 3.99 5.75 -1.26 -4.89 116.55 120.86 1i41 n ASP 75 Ca -0.17 -2.70 -0.34 0.00 -0.01 0.00 0.00 54.79 51.57 1i41 n ASP 75 Cb 0.56 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 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 -2.20 3.69 -0.02 2.12 0.00 -1.26 -5.03 121.76 119.06 1i41 s ALA 76 Ca 0.37 -0.36 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1i41 s ALA 76 Cb 0.29 -2.31 -0.20 0.00 0.00 0.00 0.00 23.12 20.90 1i41 s ALA 76 CO 0.10 0.56 1.24 0.82 0.00 0.00 0.00 175.76 178.48 1i41 h ILE 77 N 2.52 1.30 -3.68 0.00 2.04 -2.03 -3.46 117.51 114.21 1i41 h ILE 77 Ca -0.48 -1.11 -0.46 0.00 1.00 0.00 0.00 64.86 63.82 1i41 h ILE 77 Cb 1.18 2.04 0.09 0.00 -0.74 0.00 0.00 36.82 39.39 1i41 h ILE 77 CO 0.68 0.28 0.25 0.42 0.00 0.00 0.00 178.15 179.78 1i41 s THR 78 N -4.22 2.22 0.04 -0.27 -4.23 -1.26 -4.99 115.64 102.93 1i41 s THR 78 Ca -0.16 -0.26 -0.24 0.00 -1.18 0.00 0.00 61.69 59.85 1i41 s THR 78 Cb 0.02 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 1i41 s THR 78 CO 0.65 0.00 0.74 -0.89 -0.54 0.00 0.00 174.62 174.59 1i41 s THR 79 N -3.32 4.74 0.03 3.99 2.01 -1.26 -5.03 115.64 116.80 1i41 s THR 79 Ca 0.62 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.90 1i41 s THR 79 Cb -0.09 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1i41 s THR 79 CO 0.46 0.37 1.04 -2.84 -0.69 0.00 0.00 174.62 172.96 1i41 s PRO 80 N -0.10 4.54 -0.39 4.92 0.02 -1.26 -5.00 135.00 137.74 1i41 s PRO 80 Ca 0.37 1.52 -0.29 0.00 0.02 0.00 0.00 61.00 62.62 1i41 s PRO 80 Cb -0.20 -3.42 0.02 0.00 0.02 0.00 0.00 34.50 30.92 1i41 s PRO 80 CO 0.22 -0.07 1.23 0.08 -0.33 0.00 0.00 177.00 178.13 1i41 s VAL 81 N 0.88 4.17 -0.42 3.83 1.01 -1.26 -4.55 120.40 124.06 1i41 s VAL 81 Ca 0.53 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.58 1i41 s VAL 81 Cb -0.24 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 31.79 1i41 s VAL 81 CO 0.29 -0.73 0.51 -0.69 0.00 0.00 0.00 175.10 174.48 1i41 s VAL 82 N 4.53 4.99 -1.09 2.92 1.01 -1.26 -4.99 120.40 126.50 1i41 s VAL 82 Ca 0.53 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1i41 s VAL 82 Cb -0.12 -4.09 0.30 0.00 0.00 0.00 0.00 36.38 32.47 1i41 s VAL 82 CO 0.27 -0.47 1.43 0.59 0.00 0.00 0.00 175.10 176.92 1i41 n ASN 83 N 5.84 6.26 -4.24 3.32 3.02 -1.26 -4.77 115.26 123.42 1i41 n ASN 83 Ca -0.05 -3.35 -0.24 0.00 -0.03 0.00 0.00 54.58 50.91 1i41 n ASN 83 Cb 0.48 -1.29 -0.13 0.00 -0.61 0.00 0.00 39.78 38.22 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 -2.47 1.58 -2.47 3.41 -1.32 -1.26 -5.01 115.64 108.10 1i41 s THR 84 Ca 0.31 -1.30 0.24 0.00 -1.21 0.00 0.00 61.69 59.73 1i41 s THR 84 Cb 0.02 -1.41 0.16 0.00 -1.51 0.00 0.00 72.50 69.77 1i41 s THR 84 CO 0.07 0.06 1.27 -1.54 -2.21 0.00 0.00 174.62 172.28 1i41 n SER 85 N 1.54 2.29 -3.63 8.08 3.41 -1.26 -4.74 113.62 119.31 1i41 n SER 85 Ca -0.18 -1.66 -0.06 0.00 -0.26 0.00 0.00 58.87 56.71 1i41 n SER 85 Cb 0.54 0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 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 -2.23 -1.74 -0.02 7.33 0.00 -1.26 -2.69 121.76 121.14 1i41 s ALA 86 Ca 0.25 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.81 1i41 s ALA 86 Cb 0.19 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1i41 s ALA 86 CO 0.43 -0.88 -0.22 0.71 0.00 0.00 0.00 175.76 175.80 1i41 s TYR 87 N -3.20 1.98 0.59 0.00 1.51 0.19 -4.91 117.35 113.50 1i41 s TYR 87 Ca 0.09 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.80 1i41 s TYR 87 Cb -0.01 -1.28 0.09 0.00 -0.11 0.00 0.00 41.96 40.65 1i41 s TYR 87 CO -0.03 -0.07 0.81 -0.59 -1.11 0.00 0.00 175.55 174.56 1i41 s PHE 88 N -0.42 1.59 0.06 2.71 -0.12 -1.26 -4.70 117.98 115.84 1i41 s PHE 88 Ca 0.06 -0.60 0.03 0.00 -0.05 0.00 0.00 56.93 56.37 1i41 s PHE 88 Cb -0.09 -2.39 -0.03 0.00 -0.63 0.00 0.00 43.02 39.88 1i41 s PHE 88 CO -0.00 -1.20 -0.10 -0.06 -0.05 0.00 0.00 175.22 173.82 1i41 s PHE 89 N -2.73 0.88 -0.13 3.49 0.40 -1.26 -5.05 117.98 113.58 1i41 s PHE 89 Ca 0.62 -0.55 0.14 0.00 -0.60 0.00 0.00 56.93 56.55 1i41 s PHE 89 Cb -0.06 -0.51 0.02 0.00 0.51 0.00 0.00 43.02 42.98 1i41 s PHE 89 CO 0.39 -0.04 1.37 -0.91 0.70 0.00 0.00 175.22 176.74 1i41 h ASN 90 N 4.18 0.00 -3.61 1.36 2.35 -2.01 -3.47 115.58 114.38 1i41 h ASN 90 Ca -0.37 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.44 1i41 h ASN 90 Cb 1.19 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.32 1i41 h ASN 90 CO 0.44 0.55 0.48 -1.59 -1.65 0.00 0.00 177.43 175.66 1i41 s LYS 91 N -2.94 0.56 0.35 0.81 -2.85 -1.26 -5.03 119.74 109.38 1i41 s LYS 91 Ca 0.03 0.42 0.14 0.00 -1.00 0.00 0.00 55.97 55.56 1i41 s LYS 91 Cb 0.08 0.27 1.13 0.00 -2.06 0.00 0.00 37.83 37.25 1i41 s LYS 91 CO 0.76 -0.12 1.58 1.15 0.10 0.00 0.00 175.35 178.82 1i41 h THR 92 N 3.20 0.03 -0.59 3.79 2.02 -1.99 0.24 112.91 119.59 1i41 h THR 92 Ca -0.24 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.02 1i41 h THR 92 Cb 1.17 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.47 1i41 h THR 92 CO 0.19 0.00 -0.43 -1.28 0.37 0.00 0.00 175.52 174.37 1i41 h SER 93 N 0.02 -1.50 0.27 4.18 0.87 -2.00 0.21 113.55 115.62 1i41 h SER 93 Ca 0.76 0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 61.55 1i41 h SER 93 Cb 1.87 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 64.52 1i41 h SER 93 CO -0.81 -0.33 -0.13 -0.33 -0.53 0.00 0.00 176.83 174.70 1i41 h GLU 94 N -0.22 -0.36 -0.86 2.24 5.08 -0.95 -2.10 114.58 117.42 1i41 h GLU 94 Ca 0.18 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.74 1i41 h GLU 94 Cb 0.56 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.73 1i41 h GLU 94 CO -0.70 -0.22 -0.22 1.25 -1.00 0.00 0.00 179.01 178.13 1i41 h LEU 95 N -0.39 -0.81 0.01 1.33 5.85 -1.10 0.60 115.31 120.80 1i41 h LEU 95 Ca -0.04 0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1i41 h LEU 95 Cb 0.30 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1i41 h LEU 95 CO 0.06 -0.28 -0.32 0.40 -0.34 0.00 0.00 178.44 177.96 1i41 h ILE 96 N -0.00 0.31 -0.59 4.05 2.04 -0.58 -0.40 117.51 122.34 1i41 h ILE 96 Ca 0.41 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.34 1i41 h ILE 96 Cb 0.63 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 36.92 1i41 h ILE 96 CO -0.89 0.00 -0.52 0.44 0.00 0.00 0.00 178.15 177.18 1i41 h ASP 97 N -0.47 -1.79 -0.19 1.72 3.32 0.77 0.33 116.42 120.10 1i41 h ASP 97 Ca 0.06 0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.42 1i41 h ASP 97 Cb 0.56 0.77 -0.07 0.00 0.22 0.00 0.00 39.33 40.81 1i41 h ASP 97 CO -0.26 -0.35 -0.40 0.15 -1.72 0.00 0.00 179.24 176.66 1i41 h PHE 98 N -0.26 -1.14 -0.76 4.55 3.57 -0.34 0.13 116.94 122.69 1i41 h PHE 98 Ca 0.13 0.05 0.19 0.00 3.53 0.00 0.00 57.97 61.87 1i41 h PHE 98 Cb 0.55 0.53 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1i41 h PHE 98 CO -0.78 -0.45 0.53 0.87 -2.23 0.00 0.00 178.31 176.25 1i41 h LYS 99 N -0.44 0.18 -0.55 1.11 1.79 0.44 0.40 116.57 119.51 1i41 h LYS 99 Ca 0.09 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1i41 h LYS 99 Cb 0.60 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1i41 h LYS 99 CO -0.43 0.12 0.00 0.39 -1.08 0.00 0.00 179.45 178.45 1i41 n GLU 100 N -4.40 2.46 -3.48 3.15 1.02 0.10 -4.93 120.64 114.56 1i41 n GLU 100 Ca 0.15 -1.65 -0.20 0.00 -0.02 0.00 0.00 57.16 55.44 1i41 n GLU 100 Cb 0.71 -1.56 0.08 0.00 -0.02 0.00 0.00 31.44 30.65 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 0.61 -7.13 -0.00 3.49 4.01 0.14 -4.90 118.16 114.38 1i41 n LYS 101 Ca 0.15 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.75 1i41 n LYS 101 Cb 0.52 -5.72 -0.01 0.00 -0.51 0.00 0.00 35.03 29.31 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 -4.49 5.90 -4.24 1.97 1.74 -0.45 -5.00 116.66 112.08 1i41 n ARG 102 Ca -0.10 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.84 1i41 n ARG 102 Cb 0.60 -0.60 -0.10 0.00 -1.02 0.00 0.00 32.46 31.33 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 -1.21 1.13 -0.11 5.56 3.52 -1.24 -4.86 118.95 121.74 1i41 s ARG 103 Ca 0.00 -1.55 0.01 0.00 -0.13 0.00 0.00 55.73 54.05 1i41 s ARG 103 Cb 0.01 -0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.16 1i41 s ARG 103 CO 0.04 -0.16 -0.13 0.00 -0.81 0.00 0.00 175.30 174.24 1i41 s ALA 104 N -3.71 2.66 -0.25 6.12 0.00 -1.26 -4.53 121.76 120.79 1i41 s ALA 104 Ca 0.26 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 51.05 1i41 s ALA 104 Cb 0.06 -1.17 0.13 0.00 0.00 0.00 0.00 23.12 22.14 1i41 s ALA 104 CO 0.05 0.33 1.05 0.45 0.00 0.00 0.00 175.76 177.64 1i41 s SER 105 N 0.06 -0.40 0.46 0.00 0.15 -1.26 -5.02 113.70 107.68 1i41 s SER 105 Ca -0.05 0.69 0.26 0.00 0.70 0.00 0.00 55.95 57.55 1i41 s SER 105 Cb -0.14 0.67 0.62 0.00 -1.71 0.00 0.00 66.02 65.46 1i41 s SER 105 CO 0.04 -0.20 1.71 -0.26 1.20 0.00 0.00 173.24 175.74 1i41 h PHE 106 N 3.68 0.00 0.00 3.44 0.04 -1.94 -3.47 116.94 118.69 1i41 h PHE 106 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1i41 h PHE 106 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1i41 h PHE 106 CO 0.31 0.03 0.00 -1.91 -0.60 0.00 0.00 178.31 176.14 1i41 n GLU 107 N -3.11 0.00 -4.33 1.51 2.13 -1.26 -4.52 120.64 111.05 1i41 n GLU 107 Ca 0.03 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.60 1i41 n GLU 107 Cb 0.48 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.10 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 2.58 0.22 4.31 5.04 -1.26 -0.64 117.35 127.60 1i41 s TYR 108 Ca 0.00 -0.25 -0.05 0.00 -2.44 0.00 0.00 57.07 54.33 1i41 s TYR 108 Cb 0.00 -1.19 0.20 0.00 0.35 0.00 0.00 41.96 41.33 1i41 s TYR 108 CO 0.00 0.59 1.69 0.78 -1.34 0.00 0.00 175.55 177.27 1i41 h GLY 109 N 2.39 0.97 1.94 8.97 0.00 -1.73 -2.61 103.07 113.00 1i41 h GLY 109 Ca -0.44 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.18 1i41 h GLY 109 CO 0.57 0.65 0.00 -2.13 0.00 0.00 0.00 176.54 175.63 1i41 n ARG 110 N -4.18 0.01 -0.00 4.80 0.63 -1.26 -1.51 116.66 115.14 1i41 n ARG 110 Ca 0.02 0.42 0.09 0.00 -0.92 0.00 0.00 57.85 57.46 1i41 n ARG 110 Cb 0.35 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.63 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 -1.47 0.00 0.00 -0.14 4.01 -0.99 -4.71 117.16 113.86 1i41 n TYR 111 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1i41 n TYR 111 Cb 0.04 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 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 1.44 1.62 3.59 2.72 0.00 -0.57 -5.00 105.19 109.00 1i41 n GLY 112 Ca -0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.80 0.44 1.61 3.84 -1.26 -4.46 114.94 114.32 1i41 s ASN 113 Ca 0.00 1.41 0.14 0.00 0.21 0.00 0.00 52.86 54.61 1i41 s ASN 113 Cb 0.00 1.35 1.05 0.00 -0.55 0.00 0.00 41.25 43.10 1i41 s ASN 113 CO 0.00 -0.24 2.01 1.55 -2.79 0.00 0.00 177.10 177.64 1i41 h PRO 114 N 5.99 0.36 0.00 0.43 0.13 -1.96 -0.75 132.00 136.19 1i41 h PRO 114 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1i41 h PRO 114 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1i41 h PRO 114 CO 0.12 0.24 -0.14 0.00 -0.23 0.00 0.00 178.00 177.99 1i41 h THR 115 N 0.37 0.00 0.03 1.56 1.03 -1.90 -3.35 112.91 110.66 1i41 h THR 115 Ca 0.23 -0.62 -0.30 0.00 -0.01 0.00 0.00 66.41 65.71 1i41 h THR 115 Cb 0.41 1.53 -0.04 0.00 -1.07 0.00 0.00 68.15 68.99 1i41 h THR 115 CO -0.06 0.00 -1.66 0.41 -0.01 0.00 0.00 175.52 174.20 1i41 n THR 116 N -2.44 1.59 -0.38 0.00 -1.04 -0.44 -4.24 114.28 107.32 1i41 n THR 116 Ca 0.05 -0.24 0.31 0.00 -2.04 0.00 0.00 64.05 62.13 1i41 n THR 116 Cb 0.46 -1.93 0.62 0.00 -1.82 0.00 0.00 70.33 67.66 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 -0.73 0.36 0.48 12.58 -1.51 -1.33 0.20 116.25 126.30 1i41 h VAL 117 Ca -0.43 -0.07 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 1i41 h VAL 117 Cb 1.53 0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 1i41 h VAL 117 CO -0.18 0.04 -0.49 0.58 -1.23 0.00 0.00 177.57 176.29 1i41 h VAL 118 N 0.20 0.00 -0.53 7.19 2.07 -1.74 0.31 116.25 123.75 1i41 h VAL 118 Ca 0.67 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.33 1i41 h VAL 118 Cb 2.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1i41 h VAL 118 CO -0.25 0.00 0.38 0.25 0.02 0.00 0.00 177.57 177.97 1i41 h LEU 119 N -0.97 0.05 0.56 2.57 5.85 -0.86 0.26 115.31 122.76 1i41 h LEU 119 Ca -0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1i41 h LEU 119 Cb 0.84 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.87 1i41 h LEU 119 CO -0.07 0.03 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.46 1i41 h GLU 120 N 0.05 -0.72 -0.62 1.25 5.08 0.21 -2.03 114.58 117.80 1i41 h GLU 120 Ca 0.25 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1i41 h GLU 120 Cb 0.94 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1i41 h GLU 120 CO -0.02 -0.41 0.35 0.93 -1.00 0.00 0.00 179.01 178.86 1i41 h GLU 121 N -1.02 0.85 0.61 2.33 5.08 0.44 -1.08 114.58 121.79 1i41 h GLU 121 Ca -0.08 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1i41 h GLU 121 Cb 0.64 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1i41 h GLU 121 CO 0.13 0.62 -0.47 -0.22 -1.00 0.00 0.00 179.01 178.06 1i41 h LYS 122 N 0.86 -1.00 -0.58 2.33 3.64 -0.46 0.07 116.57 121.42 1i41 h LYS 122 Ca 0.22 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 1i41 h LYS 122 Cb 0.01 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1i41 h LYS 122 CO -0.04 -0.67 0.30 0.82 -2.27 0.00 0.00 179.45 177.60 1i41 h ILE 123 N -1.04 0.95 -0.39 2.00 2.04 -1.22 -1.72 117.51 118.12 1i41 h ILE 123 Ca -0.08 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.66 1i41 h ILE 123 Cb 0.87 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 1i41 h ILE 123 CO 0.02 0.11 -0.37 0.28 0.00 0.00 0.00 178.15 178.18 1i41 h SER 124 N 0.58 -1.24 -0.52 1.72 0.02 -0.92 -0.04 113.55 113.15 1i41 h SER 124 Ca 0.26 0.20 0.10 0.00 -0.84 0.00 0.00 61.79 61.51 1i41 h SER 124 Cb 0.17 0.56 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 1i41 h SER 124 CO -0.18 -0.35 0.01 0.00 -1.14 0.00 0.00 176.83 175.17 1i41 h ALA 125 N 0.59 0.50 0.75 3.77 0.00 -0.14 0.39 119.26 125.13 1i41 h ALA 125 Ca 0.16 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1i41 h ALA 125 Cb 0.56 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1i41 h ALA 125 CO -0.55 -0.38 -0.47 -0.07 0.00 0.00 0.00 179.25 177.78 1i41 h LEU 126 N 0.12 -1.19 0.00 0.00 3.38 -0.33 -1.75 115.31 115.54 1i41 h LEU 126 Ca 0.26 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1i41 h LEU 126 Cb 0.40 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1i41 h LEU 126 CO -0.43 -0.72 0.00 -0.62 0.09 0.00 0.00 178.44 176.76 1i41 n GLU 127 N -5.60 0.19 -3.09 1.13 -0.58 -0.20 -4.83 120.64 107.65 1i41 n GLU 127 Ca -0.14 0.16 -0.19 0.00 -0.42 0.00 0.00 57.16 56.57 1i41 n GLU 127 Cb 0.48 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.90 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 -0.09 -0.28 3.97 0.62 0.00 0.11 -4.72 105.19 104.80 1i41 n GLY 128 Ca 0.06 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.14 3.37 -0.13 4.61 0.00 0.60 -4.98 121.76 122.08 1i41 s ALA 129 Ca 0.34 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1i41 s ALA 129 Cb -0.15 -2.22 -0.24 0.00 0.00 0.00 0.00 23.12 20.51 1i41 s ALA 129 CO 0.43 -1.60 0.33 -1.91 0.00 0.00 0.00 175.76 173.00 1i41 n GLU 130 N -3.00 0.71 -3.59 0.00 2.13 -1.08 -4.68 120.64 111.13 1i41 n GLU 130 Ca 0.14 0.24 -0.15 0.00 0.66 0.00 0.00 57.16 58.05 1i41 n GLU 130 Cb 0.60 -1.69 -0.06 0.00 0.27 0.00 0.00 31.44 30.56 1i41 n GLU 130 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1i41 s SER 131 N -6.64 -0.65 0.16 4.31 0.15 -0.71 -4.83 113.70 105.49 1i41 s SER 131 Ca -0.19 1.04 0.09 0.00 0.70 0.00 0.00 55.95 57.59 1i41 s SER 131 Cb 0.07 0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 65.32 1i41 s SER 131 CO 0.76 -0.37 -0.21 -0.89 1.20 0.00 0.00 173.24 173.73 1i41 s THR 132 N -0.31 1.98 0.10 6.45 2.01 -1.26 -1.66 115.64 122.94 1i41 s THR 132 Ca -0.04 -1.88 0.09 0.00 0.31 0.00 0.00 61.69 60.18 1i41 s THR 132 Cb -0.03 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1i41 s THR 132 CO 0.03 -0.19 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.33 1i41 s LEU 133 N -2.50 2.29 -0.17 4.42 2.96 0.13 -4.89 118.68 120.92 1i41 s LEU 133 Ca 0.15 -0.68 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1i41 s LEU 133 Cb -0.07 -0.99 0.03 0.00 0.50 0.00 0.00 46.19 45.66 1i41 s LEU 133 CO 0.07 0.10 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.34 1i41 s LEU 134 N -1.86 1.88 0.00 -0.68 1.43 -1.26 -1.33 118.68 116.87 1i41 s LEU 134 Ca 0.09 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1i41 s LEU 134 Cb -0.10 -1.12 0.06 0.00 0.03 0.00 0.00 46.19 45.06 1i41 s LEU 134 CO 0.04 -0.13 0.43 0.23 0.23 0.00 0.00 176.35 177.16 1i41 n MET 135 N 4.77 0.28 0.17 1.70 2.81 -0.59 -4.24 117.12 122.02 1i41 n MET 135 Ca -0.15 -1.14 0.09 0.00 -1.81 0.00 0.00 57.70 54.69 1i41 n MET 135 Cb 0.48 -0.29 0.09 0.00 -0.71 0.00 0.00 33.22 32.79 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 -0.56 0.81 -2.32 3.04 0.00 -1.40 -2.77 119.26 116.06 1i41 h ALA 136 Ca -0.14 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1i41 h ALA 136 Cb 0.52 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 1i41 h ALA 136 CO 0.15 0.20 0.40 -1.54 0.00 0.00 0.00 179.25 178.46 1i41 s SER 137 N -6.08 -0.45 0.08 0.00 1.04 -1.26 -3.24 113.70 103.79 1i41 s SER 137 Ca 0.04 0.13 -0.20 0.00 0.48 0.00 0.00 55.95 56.40 1i41 s SER 137 Cb 0.07 0.44 -0.07 0.00 0.10 0.00 0.00 66.02 66.56 1i41 s SER 137 CO 0.72 -0.66 1.34 1.23 0.98 0.00 0.00 173.24 176.84 1i41 h GLY 138 N 2.18 -1.36 -0.97 7.32 0.00 -1.82 -0.48 103.07 107.95 1i41 h GLY 138 Ca -0.25 0.75 0.30 0.00 0.00 0.00 0.00 47.33 48.13 1i41 h GLY 138 CO 0.33 -0.36 0.14 1.03 0.00 0.00 0.00 176.54 177.68 1i41 n MET 139 N -4.34 -0.07 0.01 4.80 2.81 -1.26 0.13 117.12 119.20 1i41 n MET 139 Ca -0.02 1.42 -0.10 0.00 -1.81 0.00 0.00 57.70 57.19 1i41 n MET 139 Cb 0.21 -2.33 -0.03 0.00 -0.71 0.00 0.00 33.22 30.36 1i41 n MET 139 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i41 h ALA 141 N 0.77 -0.45 -0.50 0.00 0.00 0.16 0.31 119.26 119.55 1i41 h ALA 141 Ca 0.09 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1i41 h ALA 141 Cb 0.36 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1i41 h ALA 141 CO -0.24 -0.46 -0.45 0.77 0.00 0.00 0.00 179.25 178.86 1i41 h SER 142 N -0.04 -1.53 -0.15 0.00 0.02 -1.40 0.18 113.55 110.63 1i41 h SER 142 Ca 0.00 0.24 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1i41 h SER 142 Cb 0.05 0.67 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1i41 h SER 142 CO -0.03 -0.36 -0.13 0.74 -1.14 0.00 0.00 176.83 175.91 1i41 h THR 143 N -0.28 0.00 -0.31 -2.27 2.02 -0.59 -0.60 112.91 110.88 1i41 h THR 143 Ca 0.15 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.40 1i41 h THR 143 Cb 0.57 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.90 1i41 h THR 143 CO -0.64 0.00 -0.32 0.58 0.37 0.00 0.00 175.52 175.51 1i41 h VAL 144 N -0.05 0.25 -0.71 3.16 2.07 0.11 -2.18 116.25 118.90 1i41 h VAL 144 Ca 0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.68 1i41 h VAL 144 Cb 0.12 0.25 -0.13 0.00 -1.52 0.00 0.00 31.29 30.01 1i41 h VAL 144 CO -0.17 0.00 -0.24 -0.03 0.02 0.00 0.00 177.57 177.15 1i41 h MET 145 N -0.30 -0.05 0.53 1.57 4.05 0.16 0.27 114.93 121.16 1i41 h MET 145 Ca 0.15 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1i41 h MET 145 Cb 0.54 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1i41 h MET 145 CO -0.48 -0.03 -0.25 -0.07 0.23 0.00 0.00 176.91 176.31 1i41 h LEU 146 N -0.05 -0.60 -2.02 3.39 3.38 -0.74 -0.43 115.31 118.24 1i41 h LEU 146 Ca 0.32 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.37 1i41 h LEU 146 Cb 0.55 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1i41 h LEU 146 CO -0.75 -0.31 0.40 -0.07 0.09 0.00 0.00 178.44 177.80 1i41 h LEU 147 N -0.87 0.00 0.18 1.67 3.38 -0.84 -0.19 115.31 118.64 1i41 h LEU 147 Ca -0.07 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.56 1i41 h LEU 147 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1i41 h LEU 147 CO 0.12 0.00 -1.69 0.00 0.09 0.00 0.00 178.44 176.96 1i41 h ALA 148 N 1.59 0.15 0.04 1.53 0.00 -0.04 -3.41 119.26 119.12 1i41 h ALA 148 Ca 0.20 -1.12 -0.38 0.00 0.00 0.00 0.00 54.91 53.62 1i41 h ALA 148 Cb 1.01 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1i41 h ALA 148 CO -0.00 1.02 -2.28 1.28 0.00 0.00 0.00 179.25 179.27 1i41 n LEU 149 N -3.57 2.64 -4.62 0.00 4.77 -0.21 -4.89 117.00 111.12 1i41 n LEU 149 Ca -0.22 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.33 1i41 n LEU 149 Cb 1.07 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1i41 n LEU 149 CO 0.52 0.87 1.17 -0.69 -1.33 0.00 0.00 177.39 177.93 1i41 s VAL 150 N -2.53 4.06 0.95 4.08 1.01 -0.13 -5.01 120.40 122.82 1i41 s VAL 150 Ca -0.28 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 1i41 s VAL 150 Cb 0.08 -4.15 0.16 0.00 0.00 0.00 0.00 36.38 32.47 1i41 s VAL 150 CO 0.68 -0.54 1.09 -2.84 0.00 0.00 0.00 175.10 173.49 1i41 s PRO 151 N 4.39 0.80 0.35 2.72 0.02 -1.26 -4.79 135.00 137.24 1i41 s PRO 151 Ca 0.58 0.63 -0.28 0.00 0.02 0.00 0.00 61.00 61.95 1i41 s PRO 151 Cb -0.16 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 1i41 s PRO 151 CO 0.26 -2.51 1.41 0.00 -0.33 0.00 0.00 177.00 175.83 1i41 s ALA 152 N -2.96 3.54 0.00 -1.55 0.00 -1.26 -1.99 121.76 117.54 1i41 s ALA 152 Ca 0.64 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1i41 s ALA 152 Cb -0.18 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1i41 s ALA 152 CO 0.57 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1i41 n GLY 153 N 0.69 1.86 3.19 0.00 0.00 0.26 -4.94 105.19 106.25 1i41 n GLY 153 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1i41 n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 154 N -1.85 -3.05 3.36 -0.02 0.00 -0.84 -4.47 105.19 98.32 1i41 n GLY 154 Ca 0.00 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 1i41 n GLY 154 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i41 s HIS 155 N -2.15 2.04 0.06 1.61 5.65 -1.26 -1.69 115.29 119.56 1i41 s HIS 155 Ca 0.56 -0.41 -0.00 0.00 0.25 0.00 0.00 55.06 55.46 1i41 s HIS 155 Cb -0.12 -1.06 -0.04 0.00 -1.18 0.00 0.00 32.58 30.18 1i41 s HIS 155 CO 0.51 0.34 -0.04 -1.50 -0.65 0.00 0.00 174.74 173.40 1i41 s ILE 156 N -1.50 0.34 -0.04 0.89 2.07 0.52 -1.19 121.20 122.29 1i41 s ILE 156 Ca 0.14 -1.79 0.02 0.00 -1.41 0.00 0.00 60.65 57.62 1i41 s ILE 156 Cb -0.08 -1.49 0.01 0.00 0.13 0.00 0.00 42.46 41.03 1i41 s ILE 156 CO 0.07 -0.93 -0.10 -0.69 -1.91 0.00 0.00 174.94 171.37 1i41 s VAL 157 N -3.69 0.91 0.31 4.00 1.01 -0.75 -1.20 120.40 121.00 1i41 s VAL 157 Ca 0.07 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1i41 s VAL 157 Cb 0.06 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1i41 s VAL 157 CO -0.08 0.29 0.26 0.42 0.00 0.00 0.00 175.10 176.00 1i41 s THR 158 N 0.48 0.00 0.44 3.92 -4.23 -0.82 0.15 115.64 115.57 1i41 s THR 158 Ca -0.09 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1i41 s THR 158 Cb -0.12 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1i41 s THR 158 CO 0.02 0.00 0.62 0.42 -0.54 0.00 0.00 174.62 175.14 1i41 s THR 159 N -3.53 3.38 0.15 3.99 -4.23 -1.24 -2.13 115.64 112.02 1i41 s THR 159 Ca 0.40 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1i41 s THR 159 Cb 0.03 -3.20 -0.14 0.00 1.34 0.00 0.00 72.50 70.53 1i41 s THR 159 CO 0.26 -0.11 1.37 0.71 -0.54 0.00 0.00 174.62 176.31 1i41 h THR 160 N 0.50 1.38 -0.45 3.99 1.35 -1.69 -3.32 112.91 114.66 1i41 h THR 160 Ca -0.43 -2.24 -0.29 0.00 -0.55 0.00 0.00 66.41 62.89 1i41 h THR 160 Cb 1.27 2.22 -0.11 0.00 -1.73 0.00 0.00 68.15 69.80 1i41 h THR 160 CO 0.51 0.68 0.11 0.47 -0.25 0.00 0.00 175.52 177.04 1i41 n ASP 161 N -3.81 5.94 -4.82 5.36 9.92 -1.26 -4.94 116.55 122.94 1i41 n ASP 161 Ca -0.06 -2.84 -0.30 0.00 -0.53 0.00 0.00 54.79 51.07 1i41 n ASP 161 Cb 0.76 -1.23 0.09 0.00 -0.64 0.00 0.00 41.12 40.10 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 -3.22 3.65 0.00 0.00 5.04 -1.26 -4.85 117.35 116.70 1i41 s TYR 163 Ca 0.61 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.91 1i41 s TYR 163 Cb -0.14 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 39.07 1i41 s TYR 163 CO 0.53 -0.02 0.00 -2.13 -1.34 0.00 0.00 175.55 172.60 1i41 n ARG 164 N 3.97 0.00 -0.16 4.97 3.00 -1.26 -0.42 116.66 126.75 1i41 n ARG 164 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.89 1i41 n ARG 164 Cb 0.51 0.00 0.05 0.00 0.00 0.00 0.00 32.46 33.02 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 0.05 -1.00 -0.14 6.56 -1.97 0.53 116.57 120.60 1i41 h LYS 165 Ca 0.00 -0.00 0.31 0.00 -1.06 0.00 0.00 60.65 59.90 1i41 h LYS 165 Cb 0.00 -0.01 -0.15 0.00 -0.57 0.00 0.00 32.23 31.50 1i41 h LYS 165 CO 0.00 0.03 0.56 1.15 -2.06 0.00 0.00 179.45 179.14 1i41 h THR 166 N 0.05 0.32 0.60 -0.16 2.02 -1.13 -0.84 112.91 113.78 1i41 h THR 166 Ca 0.25 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1i41 h THR 166 Cb 0.39 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1i41 h THR 166 CO -0.48 0.06 -0.29 -0.09 0.37 0.00 0.00 175.52 175.10 1i41 h ARG 167 N 0.35 -0.78 -0.98 6.66 9.65 -0.02 -3.12 114.38 126.14 1i41 h ARG 167 Ca 0.72 0.05 0.18 0.00 -1.10 0.00 0.00 59.98 59.84 1i41 h ARG 167 Cb 1.62 0.18 -0.18 0.00 -1.39 0.00 0.00 29.97 30.20 1i41 h ARG 167 CO -0.60 -0.52 -0.29 0.82 2.80 0.00 0.00 179.97 182.19 1i41 h ILE 168 N -0.91 0.01 -0.19 1.20 2.04 -0.84 0.28 117.51 119.10 1i41 h ILE 168 Ca -0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1i41 h ILE 168 Cb 0.62 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1i41 h ILE 168 CO 0.14 0.00 -0.26 0.15 0.00 0.00 0.00 178.15 178.17 1i41 h PHE 169 N -0.00 -0.71 -0.63 1.37 3.57 -1.48 0.66 116.94 119.72 1i41 h PHE 169 Ca 0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.97 1i41 h PHE 169 Cb 0.68 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1i41 h PHE 169 CO -0.79 -0.34 0.40 0.82 -2.23 0.00 0.00 178.31 176.17 1i41 h ILE 170 N -0.30 1.17 0.00 1.41 2.04 -0.52 0.77 117.51 122.09 1i41 h ILE 170 Ca 0.12 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1i41 h ILE 170 Cb 0.48 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1i41 h ILE 170 CO -0.37 0.17 -0.57 -0.62 0.00 0.00 0.00 178.15 176.77 1i41 n GLU 171 N -4.42 0.21 0.00 2.37 1.02 0.23 -4.24 120.64 115.81 1i41 n GLU 171 Ca 0.06 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1i41 n GLU 171 Cb 0.06 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 -1.95 0.00 0.00 2.62 -2.24 0.22 -4.77 114.28 108.16 1i41 n THR 172 Ca 0.04 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1i41 n THR 172 Cb 0.41 -1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 67.57 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 -0.88 2.28 1.08 -0.98 -3.38 117.51 115.63 1i41 h ILE 173 Ca 0.00 -0.17 0.31 0.00 -0.39 0.00 0.00 64.86 64.60 1i41 h ILE 173 Cb 0.96 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.55 1i41 h ILE 173 CO 0.00 0.00 0.25 0.18 -0.69 0.00 0.00 178.15 177.89 1i41 n LEU 174 N -2.54 0.10 -0.10 1.44 4.77 -1.00 0.12 117.00 119.79 1i41 n LEU 174 Ca -0.00 1.48 0.21 0.00 -0.03 0.00 0.00 56.01 57.67 1i41 n LEU 174 Cb 0.01 -0.63 0.65 0.00 -2.33 0.00 0.00 43.42 41.12 1i41 n LEU 174 CO 0.01 -1.58 1.21 1.55 -1.33 0.00 0.00 177.39 177.25 1i41 h PRO 175 N 0.00 0.11 -0.18 3.23 0.13 -1.73 0.37 132.00 133.93 1i41 h PRO 175 Ca 0.64 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.82 1i41 h PRO 175 Cb 1.55 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.64 1i41 h PRO 175 CO -0.75 0.07 0.17 0.87 -0.23 0.00 0.00 178.00 178.13 1i41 h LYS 176 N 0.11 0.00 -0.65 0.86 1.57 0.69 0.75 116.57 119.90 1i41 h LYS 176 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1i41 h LYS 176 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1i41 h LYS 176 CO -0.04 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.51 1i41 n MET 177 N -4.02 2.71 -1.22 3.15 2.81 0.13 -4.90 117.12 115.76 1i41 n MET 177 Ca 0.01 -2.40 -0.08 0.00 -1.81 0.00 0.00 57.70 53.43 1i41 n MET 177 Cb 0.30 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.44 0.95 3.55 3.03 0.00 0.26 -0.57 105.19 113.85 1i41 n GLY 178 Ca 0.22 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.18 4.59 0.32 -0.61 1.01 -1.03 -3.26 121.20 120.04 1i41 s ILE 179 Ca 0.00 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.11 1i41 s ILE 179 Cb 0.00 -4.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1i41 s ILE 179 CO 0.00 -0.77 0.58 0.28 0.00 0.00 0.00 174.94 175.03 1i41 s THR 180 N 3.44 5.02 0.05 2.92 -1.32 -0.68 -3.79 115.64 121.28 1i41 s THR 180 Ca 0.32 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1i41 s THR 180 Cb -0.12 -3.77 -0.03 0.00 -1.51 0.00 0.00 72.50 67.07 1i41 s THR 180 CO 0.24 -0.43 -0.04 0.00 -2.21 0.00 0.00 174.62 172.17 1i41 s ALA 181 N -2.21 0.48 -0.13 11.08 0.00 -1.26 -0.35 121.76 129.38 1i41 s ALA 181 Ca 0.44 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1i41 s ALA 181 Cb -0.10 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1i41 s ALA 181 CO 0.33 -0.22 -0.20 0.99 0.00 0.00 0.00 175.76 176.66 1i41 s THR 182 N -2.66 2.38 -0.38 0.00 2.01 -0.34 -4.94 115.64 111.70 1i41 s THR 182 Ca -0.02 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 1i41 s THR 182 Cb -0.01 -1.96 0.05 0.00 0.01 0.00 0.00 72.50 70.59 1i41 s THR 182 CO -0.04 0.54 0.20 -0.69 -0.69 0.00 0.00 174.62 173.94 1i41 s VAL 183 N 0.54 4.23 0.24 3.82 1.01 -1.26 -1.94 120.40 127.03 1i41 s VAL 183 Ca -0.12 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 60.78 1i41 s VAL 183 Cb -0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1i41 s VAL 183 CO 0.04 -0.34 0.02 0.27 0.00 0.00 0.00 175.10 175.10 1i41 s ILE 184 N 1.46 3.65 0.34 2.22 -4.36 -0.91 -4.83 121.20 118.76 1i41 s ILE 184 Ca 0.01 -1.72 -0.27 0.00 -0.26 0.00 0.00 60.65 58.41 1i41 s ILE 184 Cb -0.21 -2.92 -0.09 0.00 1.25 0.00 0.00 42.46 40.49 1i41 s ILE 184 CO 0.04 -0.30 1.15 -0.62 0.24 0.00 0.00 174.94 175.44 1i41 s ASP 185 N -3.50 6.91 0.26 4.36 2.15 -1.26 -1.87 116.67 123.73 1i41 s ASP 185 Ca 0.30 2.33 -0.05 0.00 0.43 0.00 0.00 52.55 55.56 1i41 s ASP 185 Cb -0.07 -2.62 0.51 0.00 -0.30 0.00 0.00 42.92 40.44 1i41 s ASP 185 CO 0.20 -0.40 1.61 -0.65 -0.17 0.00 0.00 175.17 175.76 1i41 h PRO 186 N 3.25 0.07 0.06 4.34 0.11 -1.94 -2.22 132.00 135.66 1i41 h PRO 186 Ca -0.48 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1i41 h PRO 186 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1i41 h PRO 186 CO 0.65 0.04 -0.03 0.00 -0.21 0.00 0.00 178.00 178.45 1i41 h ALA 187 N 1.80 -0.08 -0.01 -0.75 0.00 -1.92 -3.43 119.26 114.88 1i41 h ALA 187 Ca 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1i41 h ALA 187 Cb 0.85 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1i41 h ALA 187 CO -0.77 -0.24 0.84 -3.47 0.00 0.00 0.00 179.25 175.62 1i41 n ASP 188 N -4.84 -1.47 0.04 0.00 -0.08 -0.84 -4.66 116.55 104.70 1i41 n ASP 188 Ca -0.09 -1.48 -0.06 0.00 -1.51 0.00 0.00 54.79 51.66 1i41 n ASP 188 Cb 0.29 -0.69 0.14 0.00 2.34 0.00 0.00 41.12 43.20 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 6.78 1.32 0.00 5.18 2.07 -1.82 -3.16 116.25 126.61 1i41 h VAL 189 Ca 0.00 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 65.90 1i41 h VAL 189 Cb 0.96 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 1i41 h VAL 189 CO 0.97 0.51 -0.35 1.23 0.02 0.00 0.00 177.57 179.95 1i41 h GLY 190 N 1.18 -0.59 -0.18 2.17 0.00 -1.97 -0.18 103.07 103.49 1i41 h GLY 190 Ca 0.02 0.42 0.12 0.00 0.00 0.00 0.00 47.33 47.89 1i41 h GLY 190 CO 0.08 -0.24 -0.15 0.00 0.00 0.00 0.00 176.54 176.24 1i41 h ALA 191 N 0.18 0.39 0.34 3.60 0.00 -1.94 0.20 119.26 122.03 1i41 h ALA 191 Ca 0.06 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1i41 h ALA 191 Cb 0.59 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1i41 h ALA 191 CO -0.28 -0.43 -0.44 1.25 0.00 0.00 0.00 179.25 179.35 1i41 h LEU 192 N 0.00 -1.23 -0.95 0.00 5.85 -1.35 0.27 115.31 117.90 1i41 h LEU 192 Ca 0.28 0.11 0.17 0.00 0.84 0.00 0.00 57.88 59.29 1i41 h LEU 192 Cb 0.43 0.42 -0.10 0.00 0.37 0.00 0.00 40.66 41.78 1i41 h LEU 192 CO -0.61 -0.57 0.54 -0.08 -0.34 0.00 0.00 178.44 177.39 1i41 h GLU 193 N -0.82 0.69 0.63 1.25 4.81 -0.13 0.26 114.58 121.27 1i41 h GLU 193 Ca -0.03 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1i41 h GLU 193 Cb 0.76 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.99 1i41 h GLU 193 CO -0.12 0.46 -0.30 1.25 -0.73 0.00 0.00 179.01 179.56 1i41 h LEU 194 N 0.71 -0.72 -0.80 1.64 5.85 0.25 -2.92 115.31 119.33 1i41 h LEU 194 Ca 0.54 0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.47 1i41 h LEU 194 Cb 0.80 0.19 -0.13 0.00 0.37 0.00 0.00 40.66 41.89 1i41 h LEU 194 CO -0.38 -0.48 0.14 0.00 -0.34 0.00 0.00 178.44 177.38 1i41 h ALA 195 N -1.54 1.01 -1.03 1.25 0.00 0.15 0.49 119.26 119.60 1i41 h ALA 195 Ca -0.09 0.22 0.31 0.00 0.00 0.00 0.00 54.91 55.34 1i41 h ALA 195 Cb 0.65 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 1i41 h ALA 195 CO 0.14 -0.41 0.61 -0.07 0.00 0.00 0.00 179.25 179.52 1i41 h LEU 196 N 0.19 0.53 0.05 0.00 -0.00 -0.39 -1.19 115.31 114.50 1i41 h LEU 196 Ca 0.47 0.16 -0.23 0.00 -0.00 0.00 0.00 57.88 58.28 1i41 h LEU 196 Cb 0.86 0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.60 1i41 h LEU 196 CO -0.62 -0.05 -1.21 0.78 -0.00 0.00 0.00 178.44 177.33 1i41 h ASN 197 N 0.38 0.17 0.00 -0.43 2.35 0.04 -3.41 115.58 114.67 1i41 h ASN 197 Ca 0.70 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1i41 h ASN 197 Cb 1.61 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.93 1i41 h ASN 197 CO -0.52 1.50 0.00 0.00 -1.65 0.00 0.00 177.43 176.76 1i41 n GLN 198 N -4.20 0.00 -2.88 0.81 6.02 0.22 -4.77 117.38 112.59 1i41 n GLN 198 Ca -0.27 0.66 -0.20 0.00 -0.01 0.00 0.00 57.00 57.18 1i41 n GLN 198 Cb 0.76 -1.45 0.05 0.00 1.02 0.00 0.00 30.24 30.63 1i41 n GLN 198 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1i41 s LYS 199 N -2.81 2.34 -0.87 -1.09 3.01 -0.52 -5.05 119.74 114.76 1i41 s LYS 199 Ca 0.00 -1.31 -0.14 0.00 -1.01 0.00 0.00 55.97 53.51 1i41 s LYS 199 Cb 0.00 -2.59 0.22 0.00 -1.01 0.00 0.00 37.83 34.45 1i41 s LYS 199 CO 0.00 -0.81 0.83 0.21 0.51 0.00 0.00 175.35 176.08 1i41 s LYS 200 N -4.70 3.67 0.12 1.68 2.36 -1.26 -4.58 119.74 117.03 1i41 s LYS 200 Ca 0.60 -2.52 -0.31 0.00 -2.55 0.00 0.00 55.97 51.20 1i41 s LYS 200 Cb -0.07 -4.47 -0.08 0.00 -1.05 0.00 0.00 37.83 32.16 1i41 s LYS 200 CO 0.38 -1.31 1.37 0.08 1.55 0.00 0.00 175.35 177.43 1i41 s VAL 201 N 0.12 3.36 -0.11 4.02 1.01 -1.26 -4.16 120.40 123.36 1i41 s VAL 201 Ca 0.20 0.98 -0.13 0.00 0.00 0.00 0.00 61.98 63.04 1i41 s VAL 201 Cb -0.10 -3.63 -0.26 0.00 0.00 0.00 0.00 36.38 32.39 1i41 s VAL 201 CO -0.09 0.08 0.46 0.78 0.00 0.00 0.00 175.10 176.34 1i41 h ASN 202 N 6.71 0.38 -3.66 3.32 4.21 -1.51 -3.36 115.58 121.67 1i41 h ASN 202 Ca -0.42 -0.86 -0.07 0.00 1.21 0.00 0.00 56.30 56.16 1i41 h ASN 202 Cb 1.21 -0.12 -0.23 0.00 -1.12 0.00 0.00 38.32 38.06 1i41 h ASN 202 CO 0.85 1.71 -0.07 -0.22 -1.29 0.00 0.00 177.43 178.41 1i41 s LEU 203 N -7.38 -0.30 -0.16 1.61 0.20 -1.24 -1.85 118.68 109.55 1i41 s LEU 203 Ca -0.21 1.17 -0.10 0.00 0.69 0.00 0.00 54.13 55.68 1i41 s LEU 203 Cb 0.05 1.94 -0.05 0.00 -0.43 0.00 0.00 46.19 47.71 1i41 s LEU 203 CO 0.76 -0.21 0.18 0.12 -0.29 0.00 0.00 176.35 176.92 1i41 s PHE 204 N 0.71 3.49 -0.01 5.38 5.36 0.53 -1.81 117.98 131.63 1i41 s PHE 204 Ca -0.03 0.48 0.01 0.00 -0.96 0.00 0.00 56.93 56.42 1i41 s PHE 204 Cb -0.05 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1i41 s PHE 204 CO -0.05 0.42 -0.01 0.12 -1.46 0.00 0.00 175.22 174.23 1i41 s PHE 205 N -0.06 0.22 0.10 10.12 5.36 0.12 -0.76 117.98 133.08 1i41 s PHE 205 Ca 0.12 -0.02 -0.27 0.00 -0.96 0.00 0.00 56.93 55.81 1i41 s PHE 205 Cb -0.12 -0.20 0.08 0.00 -0.34 0.00 0.00 43.02 42.44 1i41 s PHE 205 CO 0.02 -0.04 1.03 -0.08 -1.46 0.00 0.00 175.22 174.69 1i41 s THR 206 N 0.27 0.00 -0.11 0.12 -1.32 -0.63 -3.72 115.64 110.26 1i41 s THR 206 Ca -0.02 -0.50 0.01 0.00 -1.21 0.00 0.00 61.69 59.97 1i41 s THR 206 Cb -0.05 -1.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.03 1i41 s THR 206 CO -0.01 0.00 -0.14 -1.83 -2.21 0.00 0.00 174.62 170.43 1i41 s GLU 207 N -3.06 3.14 -0.10 7.08 -1.05 -1.26 0.12 118.70 123.57 1i41 s GLU 207 Ca 0.12 -0.70 -0.03 0.00 -0.15 0.00 0.00 54.97 54.21 1i41 s GLU 207 Cb 0.00 -2.55 0.04 0.00 -0.44 0.00 0.00 34.13 31.18 1i41 s GLU 207 CO -0.00 0.32 0.06 0.45 0.95 0.00 0.00 175.26 177.04 1i41 s SER 208 N 0.07 1.72 1.26 0.83 0.15 -1.21 -3.34 113.70 113.18 1i41 s SER 208 Ca -0.05 -0.24 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 1i41 s SER 208 Cb -0.15 -0.23 0.32 0.00 -1.71 0.00 0.00 66.02 64.25 1i41 s SER 208 CO 0.04 -0.28 0.99 -2.84 1.20 0.00 0.00 173.24 172.35 1i41 s PRO 209 N 2.12 -1.65 0.57 5.44 0.02 -1.26 -4.44 135.00 135.81 1i41 s PRO 209 Ca 0.04 0.63 0.09 0.00 0.02 0.00 0.00 61.00 61.78 1i41 s PRO 209 Cb -0.14 -1.49 0.08 0.00 0.02 0.00 0.00 34.50 32.98 1i41 s PRO 209 CO -0.06 -4.15 0.76 -0.08 -0.33 0.00 0.00 177.00 173.14 1i41 s THR 210 N -2.38 2.10 -0.04 0.99 -1.32 0.33 -4.75 115.64 110.58 1i41 s THR 210 Ca 0.69 -1.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.15 1i41 s THR 210 Cb -0.22 -2.15 0.01 0.00 -1.51 0.00 0.00 72.50 68.63 1i41 s THR 210 CO 0.63 0.00 -0.10 0.21 -2.21 0.00 0.00 174.62 173.15 1i41 s ASN 211 N -4.63 1.43 0.00 8.08 3.04 -1.23 -1.62 114.94 120.01 1i41 s ASN 211 Ca 0.60 -0.23 0.24 0.00 0.04 0.00 0.00 52.86 53.51 1i41 s ASN 211 Cb -0.05 -0.50 0.26 0.00 -1.54 0.00 0.00 41.25 39.41 1i41 s ASN 211 CO 0.38 0.05 1.29 -0.81 -3.04 0.00 0.00 177.10 174.96 1i41 n PRO 212 N 3.50 1.99 -0.04 0.43 -0.04 -1.26 -4.54 135.00 135.05 1i41 n PRO 212 Ca -0.20 -1.60 0.01 0.00 -0.04 0.00 0.00 63.50 61.67 1i41 n PRO 212 Cb 0.53 -1.47 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.90 0.10 -2.49 0.54 3.72 -1.26 -4.58 117.46 114.38 1i41 n PHE 213 Ca 0.14 -0.05 -0.07 0.00 -0.05 0.00 0.00 57.45 57.41 1i41 n PHE 213 Cb 0.54 0.00 -0.00 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 -0.28 -0.67 -4.68 4.37 4.77 -0.64 -4.72 117.00 115.16 1i41 n LEU 214 Ca 0.03 0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 55.97 1i41 n LEU 214 Cb 0.06 -1.66 0.12 0.00 -2.33 0.00 0.00 43.42 39.62 1i41 n LEU 214 CO 0.02 -0.07 0.74 0.54 -1.33 0.00 0.00 177.39 177.29 1i41 n ARG 215 N -2.70 0.31 -4.32 3.23 5.12 -1.26 -3.90 116.66 113.15 1i41 n ARG 215 Ca -0.08 0.18 -0.23 0.00 -1.93 0.00 0.00 57.85 55.79 1i41 n ARG 215 Cb 0.56 -2.41 -0.12 0.00 -1.16 0.00 0.00 32.46 29.33 1i41 n ARG 215 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i41 s VAL 217 N -1.69 3.10 -1.11 0.00 1.01 -1.26 -4.65 120.40 115.80 1i41 s VAL 217 Ca 0.12 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 1i41 s VAL 217 Cb -0.07 -2.29 -0.12 0.00 0.00 0.00 0.00 36.38 33.90 1i41 s VAL 217 CO 0.06 0.53 2.00 -0.62 0.00 0.00 0.00 175.10 177.06 1i41 s ASP 218 N 0.25 4.64 0.16 3.32 -1.08 -1.26 -4.76 116.67 117.94 1i41 s ASP 218 Ca -0.09 -1.31 -0.27 0.00 -0.52 0.00 0.00 52.55 50.36 1i41 s ASP 218 Cb -0.15 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 1i41 s ASP 218 CO 0.05 -3.45 1.56 0.40 0.52 0.00 0.00 175.17 174.25 1i41 h ILE 219 N 6.50 0.05 -0.65 4.11 2.04 -1.94 -1.22 117.51 126.40 1i41 h ILE 219 Ca 0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.14 1i41 h ILE 219 Cb 0.96 0.05 -0.12 0.00 -0.74 0.00 0.00 36.82 36.97 1i41 h ILE 219 CO 1.17 0.00 -0.15 -0.08 0.00 0.00 0.00 178.15 179.09 1i41 h GLU 220 N -0.23 0.01 0.91 2.37 4.81 -1.86 0.34 114.58 120.93 1i41 h GLU 220 Ca 0.16 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1i41 h GLU 220 Cb 0.56 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1i41 h GLU 220 CO -0.71 0.00 -0.48 1.25 -0.73 0.00 0.00 179.01 178.34 1i41 h LEU 221 N 0.01 -1.17 -0.22 1.64 5.85 -1.59 -2.50 115.31 117.33 1i41 h LEU 221 Ca 0.31 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.14 1i41 h LEU 221 Cb 0.48 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1i41 h LEU 221 CO -0.66 -0.78 -0.39 0.58 -0.34 0.00 0.00 178.44 176.85 1i41 h VAL 222 N -1.28 0.18 -0.88 1.05 2.07 -0.80 -0.48 116.25 116.11 1i41 h VAL 222 Ca -0.12 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.63 1i41 h VAL 222 Cb 1.00 0.18 -0.14 0.00 -1.52 0.00 0.00 31.29 30.80 1i41 h VAL 222 CO 0.18 0.00 0.24 0.28 0.02 0.00 0.00 177.57 178.29 1i41 h SER 223 N -0.41 0.01 0.91 0.57 0.02 -0.96 0.52 113.55 114.21 1i41 h SER 223 Ca 0.11 0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1i41 h SER 223 Cb 0.59 0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.40 1i41 h SER 223 CO -0.44 -0.16 -0.44 0.50 -1.14 0.00 0.00 176.83 175.15 1i41 h LYS 224 N 0.21 -1.18 -0.10 3.45 3.64 -0.65 -1.42 116.57 120.53 1i41 h LYS 224 Ca 0.56 0.08 0.04 0.00 -1.27 0.00 0.00 60.65 60.06 1i41 h LYS 224 Cb 1.13 0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 33.15 1i41 h LYS 224 CO -0.66 -0.78 -0.33 -0.07 -2.27 0.00 0.00 179.45 175.34 1i41 h LEU 225 N -1.30 -1.03 0.13 5.20 3.38 -0.37 -2.05 115.31 119.28 1i41 h LEU 225 Ca -0.12 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1i41 h LEU 225 Cb 0.94 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1i41 h LEU 225 CO 0.20 -0.38 -0.38 0.00 0.09 0.00 0.00 178.44 177.98 1i41 h HIS 227 N -0.62 0.00 -0.03 0.00 3.86 -1.08 0.36 115.15 117.64 1i41 h HIS 227 Ca 0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1i41 h HIS 227 Cb 0.65 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1i41 h HIS 227 CO -0.33 0.00 -0.35 1.49 0.86 0.00 0.00 177.93 179.60 1i41 h GLU 228 N 0.00 0.06 -0.57 2.45 4.81 -0.55 -2.80 114.58 117.99 1i41 h GLU 228 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1i41 h GLU 228 Cb 1.01 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1i41 h GLU 228 CO -0.00 0.41 0.00 1.63 -0.73 0.00 0.00 179.01 180.32 1i41 n LYS 229 N -4.11 2.97 -0.92 1.92 4.76 0.12 -4.95 118.16 117.95 1i41 n LYS 229 Ca -0.02 -2.52 0.00 0.00 -2.87 0.00 0.00 58.31 52.91 1i41 n LYS 229 Cb 0.40 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 1.08 0.95 3.79 0.72 0.00 -0.86 -4.88 105.19 106.00 1i41 n GLY 230 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.79 3.01 0.16 4.61 0.00 -0.88 -4.93 121.76 119.94 1i41 s ALA 231 Ca 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 1i41 s ALA 231 Cb 0.00 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1i41 s ALA 231 CO 0.00 -0.15 0.40 -0.51 0.00 0.00 0.00 175.76 175.51 1i41 s LEU 232 N -3.00 4.24 -0.15 0.00 1.43 -0.77 -3.64 118.68 116.79 1i41 s LEU 232 Ca 0.61 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1i41 s LEU 232 Cb -0.17 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1i41 s LEU 232 CO 0.22 0.02 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 1i41 s VAL 233 N -1.72 2.54 -0.13 -1.59 1.01 -1.26 0.20 120.40 119.45 1i41 s VAL 233 Ca 0.42 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1i41 s VAL 233 Cb -0.12 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1i41 s VAL 233 CO 0.25 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.75 1i41 s ILE 235 N 1.46 3.57 -1.14 0.00 -1.09 0.66 -1.60 121.20 123.06 1i41 s ILE 235 Ca 0.02 -0.51 -0.10 0.00 -2.23 0.00 0.00 60.65 57.84 1i41 s ILE 235 Cb -0.13 -2.48 0.26 0.00 -1.58 0.00 0.00 42.46 38.52 1i41 s ILE 235 CO -0.08 0.56 1.18 -0.67 -1.23 0.00 0.00 174.94 174.71 1i41 n ASP 236 N 2.78 5.47 -1.08 3.58 -0.08 0.12 -0.75 116.55 126.59 1i41 n ASP 236 Ca -0.18 -3.03 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1i41 n ASP 236 Cb 0.53 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.57 1i41 n ASP 236 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1i41 n GLY 237 N 2.94 1.87 0.45 0.27 0.00 -0.99 -3.28 105.19 106.45 1i41 n GLY 237 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 0.24 0.05 -0.88 2.61 2.02 -1.86 -0.07 112.91 115.02 1i41 h THR 238 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1i41 h THR 238 Cb 0.90 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 1i41 h THR 238 CO 0.00 0.00 0.58 -0.26 0.37 0.00 0.00 175.52 176.21 1i41 h PHE 239 N -0.57 1.10 0.80 3.16 0.04 -1.85 -3.22 116.94 116.40 1i41 h PHE 239 Ca 0.05 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 1i41 h PHE 239 Cb 0.67 -0.37 0.01 0.00 2.20 0.00 0.00 35.95 38.46 1i41 h PHE 239 CO -0.54 0.68 -0.38 0.00 -0.60 0.00 0.00 178.31 177.47 1i41 h ALA 240 N 1.46 -1.07 0.00 2.45 0.00 -1.52 -3.41 119.26 117.17 1i41 h ALA 240 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1i41 h ALA 240 Cb -0.10 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1i41 h ALA 240 CO -0.08 -1.05 0.00 2.41 0.00 0.00 0.00 179.25 180.53 1i41 n THR 241 N -5.52 -0.54 0.01 0.00 -1.04 -0.14 -3.75 114.28 103.31 1i41 n THR 241 Ca -0.14 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.87 1i41 n THR 241 Cb 0.43 -0.12 0.04 0.00 -1.82 0.00 0.00 70.33 68.86 1i41 n THR 241 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1i41 n PRO 242 N 0.56 0.01 0.08 -2.82 -0.04 -1.26 -1.33 135.00 130.20 1i41 n PRO 242 Ca 0.00 0.39 -0.23 0.00 -0.04 0.00 0.00 63.50 63.62 1i41 n PRO 242 Cb 0.00 -1.66 -0.15 0.00 -0.04 0.00 0.00 33.50 31.65 1i41 n PRO 242 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1i41 h LEU 243 N 0.00 0.63 -0.36 1.53 3.38 -1.95 -3.35 115.31 115.18 1i41 h LEU 243 Ca 0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1i41 h LEU 243 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1i41 h LEU 243 CO 0.00 1.74 -0.03 0.59 0.09 0.00 0.00 178.44 180.83 1i41 n ASN 244 N -3.69 0.60 -3.65 -0.43 3.02 -0.44 -4.82 115.26 105.86 1i41 n ASN 244 Ca -0.23 -1.01 -0.01 0.00 -0.03 0.00 0.00 54.58 53.29 1i41 n ASN 244 Cb 1.05 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 40.16 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 -2.15 0.01 -0.64 3.52 -2.07 -1.16 -2.01 119.66 115.16 1i41 s GLN 245 Ca 0.39 0.00 0.05 0.00 -1.82 0.00 0.00 55.36 53.98 1i41 s GLN 245 Cb 0.21 0.00 0.20 0.00 -1.09 0.00 0.00 33.01 32.33 1i41 s GLN 245 CO 0.39 -0.00 0.56 1.63 -1.32 0.00 0.00 175.29 176.55 1i41 n LYS 246 N 0.44 1.81 -0.33 9.60 4.76 -1.26 -4.31 118.16 128.87 1i41 n LYS 246 Ca 0.02 -4.33 0.27 0.00 -2.87 0.00 0.00 58.31 51.39 1i41 n LYS 246 Cb 0.59 -2.15 0.51 0.00 -1.84 0.00 0.00 35.03 32.14 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 4.95 1.98 -0.87 7.82 0.00 -1.95 0.29 119.26 131.48 1i41 h ALA 247 Ca 0.17 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1i41 h ALA 247 Cb 0.75 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1i41 h ALA 247 CO 0.70 -0.75 0.50 -0.07 0.00 0.00 0.00 179.25 179.64 1i41 h LEU 248 N 0.15 1.06 -0.77 0.00 3.38 -1.85 -1.97 115.31 115.31 1i41 h LEU 248 Ca 0.77 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.53 1i41 h LEU 248 Cb 1.89 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1i41 h LEU 248 CO -0.70 0.84 -0.52 0.00 0.09 0.00 0.00 178.44 178.14 1i41 h ALA 249 N 1.27 0.95 0.00 1.53 0.00 -0.73 -2.48 119.26 119.80 1i41 h ALA 249 Ca 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1i41 h ALA 249 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1i41 h ALA 249 CO -0.05 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1i41 n LEU 250 N -3.93 0.00 0.00 0.00 4.77 -0.84 -4.84 117.00 112.16 1i41 n LEU 250 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1i41 n LEU 250 Cb 0.56 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1i41 n LEU 250 CO 0.43 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1i41 n GLY 251 N -0.05 1.90 3.56 -0.72 0.00 -0.93 -3.98 105.19 104.97 1i41 n GLY 251 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.07 -0.54 0.05 4.61 0.00 -0.79 -4.94 120.51 118.82 1i41 n ALA 252 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1i41 n ALA 252 Cb 0.00 -2.00 -0.14 0.00 0.00 0.00 0.00 19.45 17.30 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 0.04 0.52 -3.70 0.00 3.32 -1.50 -3.42 116.42 111.69 1i41 h ASP 253 Ca -0.47 -0.90 -0.23 0.00 0.02 0.00 0.00 57.03 55.45 1i41 h ASP 253 Cb 1.36 -0.17 -0.29 0.00 0.22 0.00 0.00 39.33 40.45 1i41 h ASP 253 CO 0.47 1.68 -0.66 -0.76 -1.72 0.00 0.00 179.24 178.26 1i41 s LEU 254 N -7.47 1.61 -0.09 1.55 1.43 -0.17 -4.14 118.68 111.39 1i41 s LEU 254 Ca -0.17 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1i41 s LEU 254 Cb 0.04 0.18 0.01 0.00 0.03 0.00 0.00 46.19 46.46 1i41 s LEU 254 CO 0.82 -0.04 -0.17 0.54 0.23 0.00 0.00 176.35 177.73 1i41 s VAL 255 N 0.25 1.54 0.18 -1.59 0.11 -0.91 -0.24 120.40 119.74 1i41 s VAL 255 Ca -0.02 -0.69 0.09 0.00 -2.93 0.00 0.00 61.98 58.43 1i41 s VAL 255 Cb -0.03 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 1i41 s VAL 255 CO -0.01 0.45 -0.19 -1.48 -3.33 0.00 0.00 175.10 170.54 1i41 s LEU 256 N 0.73 2.46 0.13 2.54 0.05 0.07 -1.13 118.68 123.53 1i41 s LEU 256 Ca -0.12 -0.89 -0.00 0.00 0.05 0.00 0.00 54.13 53.17 1i41 s LEU 256 Cb -0.16 -0.91 -0.04 0.00 -2.05 0.00 0.00 46.19 43.03 1i41 s LEU 256 CO 0.02 -0.00 0.02 -1.00 -0.55 0.00 0.00 176.35 174.85 1i41 s HIS 257 N -2.07 0.91 -0.82 3.48 3.76 0.30 -2.34 115.29 118.52 1i41 s HIS 257 Ca 0.18 -1.14 -0.02 0.00 -0.15 0.00 0.00 55.06 53.94 1i41 s HIS 257 Cb -0.06 -0.53 0.20 0.00 1.11 0.00 0.00 32.58 33.31 1i41 s HIS 257 CO 0.08 -0.40 0.68 0.45 -0.85 0.00 0.00 174.74 174.70 1i41 s SER 258 N -3.06 5.75 0.57 1.40 0.15 -1.26 -1.89 113.70 115.36 1i41 s SER 258 Ca 0.21 -3.51 0.10 0.00 0.70 0.00 0.00 55.95 53.45 1i41 s SER 258 Cb 0.07 -1.88 0.53 0.00 -1.71 0.00 0.00 66.02 63.02 1i41 s SER 258 CO 0.00 -0.23 1.24 0.00 1.20 0.00 0.00 173.24 175.46 1i41 h ALA 259 N 6.24 1.65 -0.66 5.45 0.00 -1.59 0.18 119.26 130.53 1i41 h ALA 259 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1i41 h ALA 259 Cb 0.85 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1i41 h ALA 259 CO 0.81 -0.65 0.46 1.15 0.00 0.00 0.00 179.25 181.02 1i41 h THR 260 N 0.00 0.77 0.00 0.00 2.02 -1.75 -0.98 112.91 112.97 1i41 h THR 260 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1i41 h THR 260 Cb 1.40 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1i41 h THR 260 CO 0.00 0.05 0.00 0.29 0.37 0.00 0.00 175.52 176.23 1i41 n LYS 261 N -4.44 0.00 0.08 6.66 4.76 0.64 -4.49 118.16 121.38 1i41 n LYS 261 Ca 0.12 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.48 1i41 n LYS 261 Cb 0.56 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.69 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 -0.27 -0.89 2.13 0.04 -1.74 -0.41 116.94 115.80 1i41 h PHE 262 Ca 0.00 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.92 1i41 h PHE 262 Cb 0.00 0.09 -0.16 0.00 2.20 0.00 0.00 35.95 38.08 1i41 h PHE 262 CO 0.00 0.05 -0.32 -0.07 -0.60 0.00 0.00 178.31 177.37 1i41 h LEU 263 N -0.97 -1.18 0.07 1.54 3.38 -1.85 0.47 115.31 116.77 1i41 h LEU 263 Ca -0.03 0.28 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 1i41 h LEU 263 Cb 0.45 0.65 0.02 0.00 0.09 0.00 0.00 40.66 41.87 1i41 h LEU 263 CO 0.05 -0.30 -1.21 1.23 0.09 0.00 0.00 178.44 178.30 1i41 h GLY 264 N -0.03 0.53 -3.53 0.83 0.00 -1.32 -3.25 103.07 96.30 1i41 h GLY 264 Ca 0.36 -1.16 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1i41 h GLY 264 CO -0.91 1.02 -0.11 0.61 0.00 0.00 0.00 176.54 177.15 1i41 n GLY 265 N 1.37 -0.15 0.00 4.60 0.00 0.16 -4.61 105.19 106.56 1i41 n GLY 265 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.27 0.00 -3.70 1.61 8.25 -1.26 -2.19 115.22 115.66 1i41 n HIS 266 Ca -0.05 -0.10 -0.26 0.00 -0.26 0.00 0.00 57.72 57.05 1i41 n HIS 266 Cb 0.40 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.10 -5.82 -0.94 0.41 3.02 -1.26 -4.80 115.26 105.77 1i41 n ASN 267 Ca 0.00 -0.62 0.02 0.00 -0.03 0.00 0.00 54.58 53.95 1i41 n ASN 267 Cb 0.22 -4.60 0.02 0.00 -0.61 0.00 0.00 39.78 34.80 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 -2.93 0.54 -3.61 6.41 5.75 -1.26 -5.09 116.55 116.35 1i41 n ASP 268 Ca 0.02 -2.06 -0.08 0.00 -0.01 0.00 0.00 54.79 52.66 1i41 n ASP 268 Cb 0.55 -0.26 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 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 -0.13 0.00 0.07 2.12 0.11 -1.26 -5.11 120.40 116.20 1i41 s VAL 269 Ca 0.17 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.28 1i41 s VAL 269 Cb 0.19 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1i41 s VAL 269 CO -0.08 0.00 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.83 1i41 s LEU 270 N -0.69 3.02 -0.29 2.54 1.43 -1.26 -4.34 118.68 119.09 1i41 s LEU 270 Ca 0.02 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 1i41 s LEU 270 Cb -0.02 -1.80 0.15 0.00 0.03 0.00 0.00 46.19 44.55 1i41 s LEU 270 CO -0.04 0.21 1.16 0.00 0.23 0.00 0.00 176.35 177.92 1i41 s ALA 271 N -1.13 -2.14 0.33 4.21 0.00 -1.20 -4.65 121.76 117.18 1i41 s ALA 271 Ca 0.20 1.88 0.04 0.00 0.00 0.00 0.00 51.96 54.08 1i41 s ALA 271 Cb -0.11 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 1i41 s ALA 271 CO 0.11 -0.22 0.49 0.20 0.00 0.00 0.00 175.76 176.34 1i41 s GLY 272 N 0.40 1.47 -0.27 0.00 0.00 -1.05 -1.57 107.32 106.30 1i41 s GLY 272 Ca 0.02 -1.28 -0.18 0.00 0.00 0.00 0.00 44.72 43.28 1i41 s GLY 272 CO -0.11 -1.21 0.69 0.00 0.00 0.00 0.00 173.10 172.47 1i41 s ILE 274 N 1.36 0.25 0.15 0.00 1.01 -0.44 -0.54 121.20 122.98 1i41 s ILE 274 Ca -0.08 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.69 1i41 s ILE 274 Cb -0.05 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 1i41 s ILE 274 CO -0.15 0.16 -0.18 -0.44 0.00 0.00 0.00 174.94 174.33 1i41 s SER 275 N 0.97 2.50 0.00 3.58 0.01 -0.29 0.20 113.70 120.68 1i41 s SER 275 Ca -0.10 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1i41 s SER 275 Cb -0.14 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1i41 s SER 275 CO -0.01 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1i41 n GLY 276 N 0.47 -0.90 3.76 3.44 0.00 -0.67 -2.14 105.19 109.15 1i41 n GLY 276 Ca -0.15 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.48 3.21 0.06 1.61 0.04 -1.26 -1.73 135.00 135.44 1i41 s PRO 277 Ca 0.00 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1i41 s PRO 277 Cb 0.00 -2.03 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 1i41 s PRO 277 CO 0.00 -1.01 1.46 1.25 0.04 0.00 0.00 177.00 178.74 1i41 h LEU 278 N 1.17 -1.09 -1.84 -3.56 6.46 -1.88 -0.45 115.31 114.11 1i41 h LEU 278 Ca -0.50 0.08 0.55 0.00 -0.12 0.00 0.00 57.88 57.89 1i41 h LEU 278 Cb 1.28 0.34 -0.10 0.00 -0.73 0.00 0.00 40.66 41.46 1i41 h LEU 278 CO 0.56 -0.58 1.30 0.50 -0.62 0.00 0.00 178.44 179.60 1i41 h LYS 279 N -0.90 0.00 0.00 1.25 3.64 -2.00 -0.48 116.57 118.08 1i41 h LYS 279 Ca -0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1i41 h LYS 279 Cb 0.75 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1i41 h LYS 279 CO 0.01 0.00 -0.16 -0.07 -2.27 0.00 0.00 179.45 176.96 1i41 h LEU 280 N 0.00 0.00 -1.55 5.20 3.38 -1.81 -3.36 115.31 117.17 1i41 h LEU 280 Ca 0.93 0.00 0.31 0.00 0.09 0.00 0.00 57.88 59.21 1i41 h LEU 280 Cb 3.57 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 44.23 1i41 h LEU 280 CO -0.13 0.26 0.74 1.62 0.09 0.00 0.00 178.44 181.02 1i41 h VAL 281 N -0.36 0.45 -0.36 1.22 3.04 -0.57 0.33 116.25 120.00 1i41 h VAL 281 Ca 0.00 -0.09 -0.03 0.00 -1.01 0.00 0.00 66.70 65.58 1i41 h VAL 281 Cb 0.16 0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 29.61 1i41 h VAL 281 CO 0.00 0.05 0.12 0.77 -1.01 0.00 0.00 177.57 177.50 1i41 h SER 282 N 0.25 0.51 -0.62 3.17 4.64 -1.32 -0.67 113.55 119.52 1i41 h SER 282 Ca 0.61 -0.19 0.18 0.00 -0.47 0.00 0.00 61.79 61.91 1i41 h SER 282 Cb 1.83 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.76 1i41 h SER 282 CO -0.22 0.57 0.47 -0.33 -0.87 0.00 0.00 176.83 176.45 1i41 h GLU 283 N 0.43 0.00 0.00 4.77 4.39 -1.07 0.12 114.58 123.22 1i41 h GLU 283 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1i41 h GLU 283 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1i41 h GLU 283 CO -0.01 0.00 -0.07 0.82 -1.16 0.00 0.00 179.01 178.60 1i41 h ILE 284 N 0.00 1.70 -1.06 3.13 2.04 -1.34 -3.27 117.51 118.71 1i41 h ILE 284 Ca 0.29 -2.30 0.32 0.00 1.00 0.00 0.00 64.86 64.17 1i41 h ILE 284 Cb 1.23 3.24 -0.13 0.00 -0.74 0.00 0.00 36.82 40.42 1i41 h ILE 284 CO -0.00 0.58 0.64 -0.09 0.00 0.00 0.00 178.15 179.27 1i41 h ARG 285 N -1.00 0.32 0.69 2.37 9.65 0.47 0.34 114.38 127.22 1i41 h ARG 285 Ca -0.02 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1i41 h ARG 285 Cb 0.99 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 29.50 1i41 h ARG 285 CO -0.01 0.21 -0.33 -0.91 2.80 0.00 0.00 179.97 181.73 1i41 h ASN 286 N 0.33 -0.78 -0.23 -3.80 4.21 -1.15 0.06 115.58 114.22 1i41 h ASN 286 Ca 0.71 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 58.24 1i41 h ASN 286 Cb 1.73 0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 39.12 1i41 h ASN 286 CO -0.50 -0.54 0.15 0.25 -1.29 0.00 0.00 177.43 175.49 1i41 h LEU 287 N -0.95 0.28 -0.93 1.61 5.85 -0.90 -1.59 115.31 118.68 1i41 h LEU 287 Ca -0.09 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1i41 h LEU 287 Cb 0.72 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1i41 h LEU 287 CO 0.16 0.22 0.40 -0.74 -0.34 0.00 0.00 178.44 178.13 1i41 h HIS 288 N 0.33 1.15 0.00 1.25 2.76 0.19 -0.98 115.15 119.85 1i41 h HIS 288 Ca 0.09 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1i41 h HIS 288 Cb -0.01 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.59 1i41 h HIS 288 CO 0.00 0.83 0.00 0.72 -1.30 0.00 0.00 177.93 178.18 1i41 n HIS 289 N -4.31 0.00 -0.08 5.26 8.25 -0.05 -1.77 115.22 122.52 1i41 n HIS 289 Ca 0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.39 1i41 n HIS 289 Cb 0.13 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.26 1.08 0.31 1.59 5.41 -0.44 -4.47 119.36 121.59 1i41 n ILE 290 Ca 0.04 -0.12 0.20 0.00 1.00 0.00 0.00 62.75 63.87 1i41 n ILE 290 Cb 0.05 -1.83 1.06 0.00 -0.71 0.00 0.00 39.64 38.22 1i41 n ILE 290 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1i41 h LEU 291 N -0.63 0.00 -2.93 1.39 3.38 -1.29 -3.46 115.31 111.77 1i41 h LEU 291 Ca -0.33 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.28 1i41 h LEU 291 Cb 1.19 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.06 1i41 h LEU 291 CO -0.20 0.00 -0.88 0.61 0.09 0.00 0.00 178.44 178.06 1i41 n GLY 292 N -1.13 -1.07 1.88 0.83 0.00 -0.73 -4.91 105.19 100.05 1i41 n GLY 292 Ca -0.03 0.51 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.52 5.52 3.56 -0.02 0.00 -1.26 -5.04 105.19 106.43 1i41 n GLY 293 Ca -0.08 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.97 -0.34 -2.72 4.61 0.00 -1.26 -1.25 120.51 118.59 1i41 n ALA 294 Ca 0.49 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.76 1i41 n ALA 294 Cb 1.00 -1.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 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 0.06 4.26 0.20 0.00 2.96 -1.26 -4.46 118.68 120.44 1i41 s LEU 295 Ca 0.64 0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 54.83 1i41 s LEU 295 Cb -0.57 -2.43 -0.09 0.00 0.50 0.00 0.00 46.19 43.60 1i41 s LEU 295 CO 0.56 0.10 1.38 0.21 -1.32 0.00 0.00 176.35 177.29 1i41 s ASN 296 N 0.39 6.78 0.22 3.68 3.84 -1.26 -4.86 114.94 123.73 1i41 s ASN 296 Ca 0.18 2.50 -0.14 0.00 0.21 0.00 0.00 52.86 55.61 1i41 s ASN 296 Cb -0.13 -2.61 0.26 0.00 -0.55 0.00 0.00 41.25 38.21 1i41 s ASN 296 CO 0.05 -0.62 1.59 -0.65 -2.79 0.00 0.00 177.10 174.68 1i41 h PRO 297 N 5.52 -0.04 -0.56 0.43 0.11 -1.97 0.99 132.00 136.48 1i41 h PRO 297 Ca -0.45 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1i41 h PRO 297 Cb 1.21 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 1i41 h PRO 297 CO 0.79 -0.03 -0.06 -0.91 -0.21 0.00 0.00 178.00 177.59 1i41 h ASN 298 N -0.04 -0.37 0.12 -2.05 2.35 -1.91 0.14 115.58 113.82 1i41 h ASN 298 Ca 0.33 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 56.24 1i41 h ASN 298 Cb 0.56 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 1i41 h ASN 298 CO -0.77 -0.14 -0.16 0.00 -1.65 0.00 0.00 177.43 174.71 1i41 h ALA 299 N 1.53 -0.29 -0.60 -0.83 0.00 -1.24 -1.97 119.26 115.86 1i41 h ALA 299 Ca 0.28 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1i41 h ALA 299 Cb 0.45 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 1i41 h ALA 299 CO -0.52 -0.69 -0.24 0.00 0.00 0.00 0.00 179.25 177.80 1i41 h ALA 300 N 0.49 0.21 0.01 0.00 0.00 0.31 -1.26 119.26 119.03 1i41 h ALA 300 Ca 0.02 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1i41 h ALA 300 Cb 0.34 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1i41 h ALA 300 CO -0.07 -0.54 -0.18 -0.92 0.00 0.00 0.00 179.25 177.54 1i41 h TYR 301 N -0.08 -0.47 -1.06 0.00 3.20 -0.36 -0.99 116.97 117.20 1i41 h TYR 301 Ca 0.27 0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.45 1i41 h TYR 301 Cb 0.51 0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.87 1i41 h TYR 301 CO -0.56 -0.26 0.66 -0.07 -1.64 0.00 0.00 178.16 176.29 1i41 h LEU 302 N -0.30 0.49 -0.12 2.82 3.38 -0.51 0.33 115.31 121.40 1i41 h LEU 302 Ca 0.05 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1i41 h LEU 302 Cb 0.37 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1i41 h LEU 302 CO -0.16 0.03 -0.28 0.40 0.09 0.00 0.00 178.44 178.52 1i41 h ILE 303 N 0.39 1.38 -0.66 1.22 5.03 -0.58 -0.86 117.51 123.44 1i41 h ILE 303 Ca 0.66 -1.56 0.10 0.00 -0.12 0.00 0.00 64.86 63.93 1i41 h ILE 303 Cb 1.60 2.08 -0.08 0.00 -3.03 0.00 0.00 36.82 37.39 1i41 h ILE 303 CO -0.40 0.46 0.27 0.40 -0.68 0.00 0.00 178.15 178.20 1i41 h ILE 304 N -0.01 0.77 -0.67 -0.67 2.04 0.79 0.15 117.51 119.92 1i41 h ILE 304 Ca 0.00 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1i41 h ILE 304 Cb 0.88 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1i41 h ILE 304 CO 0.06 0.08 0.11 -0.09 0.00 0.00 0.00 178.15 178.31 1i41 h ARG 305 N 0.46 1.10 -0.67 2.37 2.43 -0.81 -2.71 114.38 116.55 1i41 h ARG 305 Ca 0.33 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1i41 h ARG 305 Cb 0.41 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1i41 h ARG 305 CO -0.31 1.01 0.09 0.78 -1.51 0.00 0.00 179.97 180.02 1i41 h GLY 306 N 1.02 1.20 1.72 2.80 0.00 0.17 -2.02 103.07 107.96 1i41 h GLY 306 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1i41 h GLY 306 CO 0.01 0.76 0.00 1.03 0.00 0.00 0.00 176.54 178.34 1i41 n MET 307 N -4.20 0.18 0.25 4.80 2.81 0.41 -2.28 117.12 119.08 1i41 n MET 307 Ca 0.04 0.13 0.10 0.00 -1.81 0.00 0.00 57.70 56.17 1i41 n MET 307 Cb 0.31 -1.50 0.66 0.00 -0.71 0.00 0.00 33.22 31.98 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 -0.18 0.03 1.79 -1.05 -2.63 116.57 114.54 1i41 h LYS 308 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1i41 h LYS 308 Cb 0.22 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.74 1i41 h LYS 308 CO 0.00 0.13 -0.63 0.25 -1.08 0.00 0.00 179.45 178.12 1i41 n THR 309 N -3.93 2.07 0.17 -0.16 -2.24 -0.97 -4.66 114.28 104.58 1i41 n THR 309 Ca -0.02 -3.27 -0.08 0.00 -2.27 0.00 0.00 64.05 58.41 1i41 n THR 309 Cb 0.22 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.30 -0.52 -0.29 3.22 5.85 -1.50 -2.39 115.31 120.97 1i41 h LEU 310 Ca 0.06 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1i41 h LEU 310 Cb 1.20 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 1i41 h LEU 310 CO 0.18 -0.31 -0.43 1.12 -0.34 0.00 0.00 178.44 178.66 1i41 h HIS 311 N -0.49 -1.30 -0.97 1.25 2.07 -1.90 -0.03 115.15 113.78 1i41 h HIS 311 Ca -0.04 0.06 0.15 0.00 -2.85 0.00 0.00 60.37 57.68 1i41 h HIS 311 Cb 0.40 0.61 -0.15 0.00 2.57 0.00 0.00 27.41 30.83 1i41 h HIS 311 CO 0.01 -0.38 -0.41 -0.07 -3.07 0.00 0.00 177.93 174.01 1i41 h LEU 312 N -0.32 -1.49 0.03 6.12 3.38 -1.94 0.36 115.31 121.45 1i41 h LEU 312 Ca 0.05 0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1i41 h LEU 312 Cb 0.46 0.77 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1i41 h LEU 312 CO -0.44 -0.29 -0.04 0.03 0.09 0.00 0.00 178.44 177.79 1i41 h ARG 313 N -0.01 -0.08 0.31 1.13 3.08 -0.74 -2.66 114.38 115.41 1i41 h ARG 313 Ca 0.32 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1i41 h ARG 313 Cb 0.58 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1i41 h ARG 313 CO -0.97 -0.05 -0.26 0.28 -1.07 0.00 0.00 179.97 177.89 1i41 h VAL 314 N -0.09 0.44 -0.61 2.04 2.07 0.78 -1.95 116.25 118.93 1i41 h VAL 314 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1i41 h VAL 314 Cb 0.09 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1i41 h VAL 314 CO -0.02 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.22 1i41 n GLN 315 N -5.39 -0.27 -0.20 1.57 6.02 0.11 0.79 117.38 120.01 1i41 n GLN 315 Ca -0.09 1.27 -0.02 0.00 -0.01 0.00 0.00 57.00 58.15 1i41 n GLN 315 Cb 0.29 -1.88 0.09 0.00 1.02 0.00 0.00 30.24 29.76 1i41 n GLN 315 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1i41 h GLN 316 N 0.00 0.52 -0.42 -1.09 5.75 -1.38 -2.00 115.11 116.49 1i41 h GLN 316 Ca 0.10 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 1i41 h GLN 316 Cb 0.25 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1i41 h GLN 316 CO -0.57 0.34 -0.11 1.96 -2.65 0.00 0.00 178.83 177.80 1i41 h GLN 317 N 0.53 0.74 -0.86 1.69 4.20 -0.31 -1.92 115.11 119.19 1i41 h GLN 317 Ca 0.28 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1i41 h GLN 317 Cb 0.23 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 1i41 h GLN 317 CO -0.21 0.83 0.56 -0.91 -0.67 0.00 0.00 178.83 178.43 1i41 h ASN 318 N 0.67 0.84 0.00 1.46 2.35 0.11 -2.14 115.58 118.87 1i41 h ASN 318 Ca 0.12 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1i41 h ASN 318 Cb 0.58 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1i41 h ASN 318 CO 0.04 0.53 0.00 -1.20 -1.65 0.00 0.00 177.43 175.15 1i41 n SER 319 N -4.49 0.00 -0.18 5.81 7.64 -0.94 -2.90 113.62 118.56 1i41 n SER 319 Ca 0.13 0.32 0.04 0.00 1.01 0.00 0.00 58.87 60.38 1i41 n SER 319 Cb 0.22 -0.17 0.09 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.00 -0.21 0.00 0.44 -1.04 -0.77 0.29 114.28 111.99 1i41 n THR 320 Ca 0.00 1.13 -0.00 0.00 -2.04 0.00 0.00 64.05 63.14 1i41 n THR 320 Cb 0.00 -1.59 -0.00 0.00 -1.82 0.00 0.00 70.33 66.92 1i41 n THR 320 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i41 h ALA 321 N 1.00 -0.69 -0.43 2.41 0.00 -1.51 0.19 119.26 120.23 1i41 h ALA 321 Ca 0.26 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1i41 h ALA 321 Cb 0.43 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1i41 h ALA 321 CO -0.50 -0.69 -0.38 1.25 0.00 0.00 0.00 179.25 178.93 1i41 h LEU 322 N -0.00 -1.31 -0.38 0.00 5.85 -0.03 0.79 115.31 120.23 1i41 h LEU 322 Ca -0.00 0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1i41 h LEU 322 Cb 0.00 0.56 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1i41 h LEU 322 CO -0.00 -0.22 -0.18 0.03 -0.34 0.00 0.00 178.44 177.73 1i41 h ARG 323 N -0.15 -0.10 -0.41 1.25 3.08 -1.25 0.12 114.38 116.91 1i41 h ARG 323 Ca 0.07 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1i41 h ARG 323 Cb 0.34 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1i41 h ARG 323 CO -0.49 -0.07 0.26 0.52 -1.07 0.00 0.00 179.97 179.12 1i41 h MET 324 N -0.11 0.54 0.34 0.04 2.86 0.41 -2.26 114.93 116.75 1i41 h MET 324 Ca 0.19 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1i41 h MET 324 Cb 0.40 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1i41 h MET 324 CO -0.45 0.36 -0.22 0.00 1.06 0.00 0.00 176.91 177.65 1i41 h ALA 325 N 1.74 -1.04 -0.68 6.32 0.00 0.32 -0.85 119.26 125.06 1i41 h ALA 325 Ca 0.15 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1i41 h ALA 325 Cb -0.05 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 17.98 1i41 h ALA 325 CO -0.03 -1.03 -0.34 0.93 0.00 0.00 0.00 179.25 178.77 1i41 h GLU 326 N -0.53 -0.12 -0.80 0.00 5.08 -1.17 0.36 114.58 117.39 1i41 h GLU 326 Ca -0.04 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1i41 h GLU 326 Cb 0.43 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 1i41 h GLU 326 CO 0.03 -0.08 0.30 0.82 -1.00 0.00 0.00 179.01 179.08 1i41 h ILE 327 N -0.13 0.57 0.05 3.13 2.04 -1.30 -0.46 117.51 121.41 1i41 h ILE 327 Ca 0.26 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1i41 h ILE 327 Cb 0.56 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1i41 h ILE 327 CO -0.75 0.07 -0.02 -0.07 0.00 0.00 0.00 178.15 177.38 1i41 h LEU 328 N 0.39 -0.05 -0.88 1.44 3.38 0.11 -1.61 115.31 118.09 1i41 h LEU 328 Ca 0.46 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.39 1i41 h LEU 328 Cb 0.77 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 1i41 h LEU 328 CO -0.47 0.16 0.47 -0.08 0.09 0.00 0.00 178.44 178.62 1i41 h GLU 329 N -0.27 0.65 -0.08 1.13 4.81 0.07 0.11 114.58 121.00 1i41 h GLU 329 Ca -0.01 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1i41 h GLU 329 Cb 0.24 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1i41 h GLU 329 CO 0.01 0.43 -0.42 0.00 -0.73 0.00 0.00 179.01 178.30 1i41 h ALA 330 N 1.57 1.14 -2.69 2.92 0.00 -0.97 -3.45 119.26 117.78 1i41 h ALA 330 Ca 0.48 -0.41 -0.56 0.00 0.00 0.00 0.00 54.91 54.42 1i41 h ALA 330 Cb 0.68 -0.09 0.11 0.00 0.00 0.00 0.00 17.79 18.49 1i41 h ALA 330 CO -0.36 0.58 0.64 1.58 0.00 0.00 0.00 179.25 181.69 1i41 n HIS 331 N -4.02 2.59 -0.05 0.00 -0.00 0.37 -4.93 115.22 109.19 1i41 n HIS 331 Ca -0.02 0.49 -0.09 0.00 -0.00 0.00 0.00 57.72 58.10 1i41 n HIS 331 Cb 0.48 -2.47 0.06 0.00 -0.00 0.00 0.00 29.99 28.06 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 2.89 0.69 0.00 1.57 0.13 -1.86 -3.13 132.00 132.30 1i41 h PRO 332 Ca -0.48 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 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 0.97 0.00 1.63 -0.23 0.00 0.00 178.00 181.02 1i41 n LYS 333 N -4.04 0.18 -3.18 0.86 5.02 -1.26 -4.60 118.16 111.14 1i41 n LYS 333 Ca -0.02 0.06 -0.44 0.00 -2.02 0.00 0.00 58.31 55.89 1i41 n LYS 333 Cb 0.53 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.79 4.92 0.17 -0.18 1.01 -1.18 0.23 120.40 122.57 1i41 s VAL 334 Ca 0.18 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1i41 s VAL 334 Cb 0.17 -4.35 0.05 0.00 0.00 0.00 0.00 36.38 32.24 1i41 s VAL 334 CO 0.42 -0.90 1.83 -0.09 0.00 0.00 0.00 175.10 176.36 1i41 h ARG 335 N 9.03 0.62 -3.34 2.72 2.43 -1.47 -3.46 114.38 120.90 1i41 h ARG 335 Ca -0.28 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 1i41 h ARG 335 Cb 1.09 -0.14 -0.15 0.00 -0.42 0.00 0.00 29.97 30.36 1i41 h ARG 335 CO 1.01 0.41 -0.15 -1.58 -1.51 0.00 0.00 179.97 178.15 1i41 s HIS 336 N -6.15 -0.16 -0.03 2.20 2.46 -1.00 -4.98 115.29 107.63 1i41 s HIS 336 Ca -0.13 -0.08 -0.00 0.00 0.47 0.00 0.00 55.06 55.32 1i41 s HIS 336 Cb 0.12 0.18 0.03 0.00 -0.13 0.00 0.00 32.58 32.78 1i41 s HIS 336 CO 0.74 -0.62 0.03 0.08 -2.47 0.00 0.00 174.74 172.50 1i41 s VAL 337 N -3.29 -0.01 -0.21 0.89 1.01 -1.26 -1.73 120.40 115.80 1i41 s VAL 337 Ca -0.00 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 1i41 s VAL 337 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 1i41 s VAL 337 CO -0.08 0.12 0.02 -0.31 0.00 0.00 0.00 175.10 174.85 1i41 s TYR 338 N 1.27 3.07 -0.30 5.22 1.51 0.73 -4.82 117.35 124.02 1i41 s TYR 338 Ca -0.07 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.43 1i41 s TYR 338 Cb -0.13 -2.11 0.17 0.00 -0.11 0.00 0.00 41.96 39.79 1i41 s TYR 338 CO -0.03 -0.22 1.09 -0.47 -1.11 0.00 0.00 175.55 174.81 1i41 s TYR 339 N 1.04 -0.48 0.56 2.71 5.04 -1.26 -3.14 117.35 121.83 1i41 s TYR 339 Ca 0.02 0.83 0.30 0.00 -2.44 0.00 0.00 57.07 55.79 1i41 s TYR 339 Cb -0.14 0.29 1.46 0.00 0.35 0.00 0.00 41.96 43.91 1i41 s TYR 339 CO 0.02 -0.24 1.88 -1.35 -1.34 0.00 0.00 175.55 174.53 1i41 h PRO 340 N 7.22 0.00 -0.36 4.97 0.11 -1.88 -0.47 132.00 141.60 1i41 h PRO 340 Ca -0.16 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.87 1i41 h PRO 340 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1i41 h PRO 340 CO 0.09 0.00 -0.13 0.78 -0.21 0.00 0.00 178.00 178.53 1i41 h GLY 341 N 0.00 0.70 -1.42 -0.55 0.00 -1.94 -3.41 103.07 96.44 1i41 h GLY 341 Ca 0.32 -0.51 -0.52 0.00 0.00 0.00 0.00 47.33 46.62 1i41 h GLY 341 CO -0.00 0.47 0.32 1.08 0.00 0.00 0.00 176.54 178.41 1i41 s LEU 342 N -8.93 3.09 0.36 3.11 1.43 -0.18 -4.94 118.68 112.62 1i41 s LEU 342 Ca -0.08 1.99 0.21 0.00 -1.03 0.00 0.00 54.13 55.21 1i41 s LEU 342 Cb 0.14 -4.54 0.21 0.00 0.03 0.00 0.00 46.19 42.03 1i41 s LEU 342 CO 0.80 -2.20 1.47 1.56 0.23 0.00 0.00 176.35 178.21 1i41 h GLN 343 N -0.98 0.00 0.00 1.70 4.20 -1.86 -3.21 115.11 114.96 1i41 h GLN 343 Ca -0.44 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.20 1i41 h GLN 343 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1i41 h GLN 343 CO 0.50 0.13 -0.32 0.66 -0.67 0.00 0.00 178.83 179.13 1i41 h SER 344 N 0.00 0.00 -2.81 1.46 4.64 -1.92 -3.45 113.55 111.47 1i41 h SER 344 Ca -0.01 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 1i41 h SER 344 Cb 1.12 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.25 1i41 h SER 344 CO 0.02 0.32 0.90 -2.28 -0.87 0.00 0.00 176.83 174.92 1i41 s HIS 345 N -3.65 3.02 0.26 4.77 5.04 -1.21 -4.92 115.29 118.60 1i41 s HIS 345 Ca 0.00 0.58 -0.08 0.00 -1.54 0.00 0.00 55.06 54.02 1i41 s HIS 345 Cb 0.11 -3.97 0.45 0.00 0.04 0.00 0.00 32.58 29.20 1i41 s HIS 345 CO 0.67 -3.59 1.59 -1.35 -2.34 0.00 0.00 174.74 169.71 1i41 h PRO 346 N 6.72 0.02 -0.77 2.88 0.11 -1.92 -1.59 132.00 137.45 1i41 h PRO 346 Ca -0.43 -0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.18 1i41 h PRO 346 Cb 1.20 -0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.02 1i41 h PRO 346 CO 0.92 0.01 0.12 -0.85 -0.21 0.00 0.00 178.00 177.99 1i41 n GLU 347 N -5.52 2.70 -0.08 1.05 0.00 -1.26 -4.68 120.64 112.85 1i41 n GLU 347 Ca 0.15 -3.49 0.02 0.00 0.00 0.00 0.00 57.16 53.84 1i41 n GLU 347 Cb 0.49 -2.16 0.34 0.00 0.00 0.00 0.00 31.44 30.12 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 1.69 0.67 -0.49 -1.84 2.76 -1.52 0.75 115.15 117.18 1i41 h HIS 348 Ca 0.45 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.54 1i41 h HIS 348 Cb 1.46 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 1i41 h HIS 348 CO 1.19 0.45 -0.02 1.12 -1.30 0.00 0.00 177.93 179.37 1i41 h HIS 349 N 0.71 0.90 -0.06 5.26 2.07 -1.83 0.14 115.15 122.35 1i41 h HIS 349 Ca 0.19 -0.14 -0.04 0.00 -2.85 0.00 0.00 60.37 57.53 1i41 h HIS 349 Cb -0.03 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 29.71 1i41 h HIS 349 CO 0.00 0.84 -0.10 0.82 -3.07 0.00 0.00 177.93 176.42 1i41 h ILE 350 N 0.77 1.41 -0.63 6.12 2.04 -1.71 -2.14 117.51 123.38 1i41 h ILE 350 Ca 0.14 -1.39 0.10 0.00 1.00 0.00 0.00 64.86 64.71 1i41 h ILE 350 Cb 0.50 2.20 -0.08 0.00 -0.74 0.00 0.00 36.82 38.71 1i41 h ILE 350 CO 0.03 0.38 0.22 0.00 0.00 0.00 0.00 178.15 178.78 1i41 h ALA 351 N 0.49 0.81 0.00 1.87 0.00 -0.67 0.22 119.26 121.98 1i41 h ALA 351 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1i41 h ALA 351 Cb 0.67 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1i41 h ALA 351 CO 0.02 -0.21 -0.14 -0.22 0.00 0.00 0.00 179.25 178.70 1i41 h LYS 352 N 0.39 0.00 0.01 0.00 3.64 -0.66 0.65 116.57 120.60 1i41 h LYS 352 Ca 0.32 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.41 1i41 h LYS 352 Cb 0.43 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1i41 h LYS 352 CO -0.34 0.14 -1.69 -0.22 -2.27 0.00 0.00 179.45 175.08 1i41 h LYS 353 N 0.00 0.03 -0.00 1.90 3.64 -0.01 -3.40 116.57 118.73 1i41 h LYS 353 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1i41 h LYS 353 Cb 0.38 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1i41 h LYS 353 CO 0.02 0.60 -0.41 0.00 -2.27 0.00 0.00 179.45 177.39 1i41 n GLN 354 N -3.11 3.67 -4.15 1.90 10.64 0.39 -5.03 117.38 121.69 1i41 n GLN 354 Ca -0.17 -0.08 -0.25 0.00 -1.83 0.00 0.00 57.00 54.67 1i41 n GLN 354 Cb 1.04 -0.96 -0.07 0.00 -0.86 0.00 0.00 30.24 29.39 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 -1.82 2.22 0.00 2.61 -1.94 0.21 -4.64 119.30 115.94 1i41 s MET 355 Ca 0.04 -1.85 0.00 0.00 -1.71 0.00 0.00 55.69 52.17 1i41 s MET 355 Cb 0.07 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.94 1i41 s MET 355 CO 0.37 -0.11 0.00 0.25 -0.01 0.00 0.00 175.02 175.52 1i41 n THR 356 N -1.23 0.00 -4.12 2.05 -2.24 -0.85 -4.76 114.28 103.13 1i41 n THR 356 Ca -0.01 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.40 1i41 n THR 356 Cb 0.65 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 1i41 n THR 356 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1i41 s GLY 357 N -1.21 1.65 -0.16 3.38 0.00 -1.26 -5.04 107.32 104.68 1i41 s GLY 357 Ca 0.00 -1.62 0.20 0.00 0.00 0.00 0.00 44.72 43.30 1i41 s GLY 357 CO 0.00 -1.08 1.16 0.69 0.00 0.00 0.00 173.10 173.88 1i41 n PHE 358 N -0.58 0.76 -3.32 1.90 3.72 -1.26 -4.94 117.46 113.75 1i41 n PHE 358 Ca 0.02 -1.41 0.06 0.00 -0.05 0.00 0.00 57.45 56.07 1i41 n PHE 358 Cb 0.62 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.29 -1.50 0.15 1.37 0.00 -1.26 -4.53 105.19 99.13 1i41 n GLY 359 Ca 0.14 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.46 3.03 3.72 -0.02 0.00 -1.26 -4.07 105.19 105.13 1i41 n GLY 360 Ca 0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.09 3.54 -0.06 4.61 0.00 -1.26 -1.62 121.76 125.88 1i41 s ALA 361 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 1i41 s ALA 361 Cb 0.04 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.69 1i41 s ALA 361 CO 0.04 0.04 0.01 0.08 0.00 0.00 0.00 175.76 175.92 1i41 s VAL 362 N 0.57 0.28 0.02 0.00 1.01 0.05 -4.93 120.40 117.40 1i41 s VAL 362 Ca 0.20 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1i41 s VAL 362 Cb -0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1i41 s VAL 362 CO 0.06 0.23 0.03 -0.44 0.00 0.00 0.00 175.10 174.98 1i41 s SER 363 N 1.85 5.27 -0.23 3.32 0.01 -1.19 0.37 113.70 123.10 1i41 s SER 363 Ca 0.03 0.00 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 1i41 s SER 363 Cb -0.12 -1.40 0.09 0.00 0.21 0.00 0.00 66.02 64.80 1i41 s SER 363 CO -0.04 0.26 0.81 0.72 0.41 0.00 0.00 173.24 175.40 1i41 s PHE 364 N -1.16 -0.66 -0.07 2.43 -0.71 0.49 -0.20 117.98 118.10 1i41 s PHE 364 Ca 0.22 1.51 -0.17 0.00 -1.04 0.00 0.00 56.93 57.45 1i41 s PHE 364 Cb -0.12 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 41.97 1i41 s PHE 364 CO 0.13 -0.38 0.45 -1.21 -1.34 0.00 0.00 175.22 172.87 1i41 s GLU 365 N -0.02 4.20 0.22 1.99 2.02 -0.71 -0.28 118.70 126.13 1i41 s GLU 365 Ca -0.01 0.43 -0.06 0.00 0.02 0.00 0.00 54.97 55.35 1i41 s GLU 365 Cb -0.04 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.78 1i41 s GLU 365 CO 0.01 0.36 0.48 0.08 0.02 0.00 0.00 175.26 176.21 1i41 s VAL 366 N -0.04 5.06 -1.27 2.63 1.01 -1.21 -1.37 120.40 125.21 1i41 s VAL 366 Ca 0.25 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 1i41 s VAL 366 Cb -0.16 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1i41 s VAL 366 CO 0.11 -0.13 2.05 -0.67 0.00 0.00 0.00 175.10 176.46 1i41 n ASP 367 N -0.38 3.75 0.00 3.32 2.03 0.14 -4.61 116.55 120.79 1i41 n ASP 367 Ca -0.02 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.48 1i41 n ASP 367 Cb 0.53 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 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 4.56 2.51 3.15 0.27 0.00 -1.26 -5.01 105.19 109.41 1i41 n GLY 368 Ca 0.50 -0.37 -0.23 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 0.92 -0.03 1.61 5.75 -1.26 -4.80 116.55 118.73 1i41 n ASP 369 Ca 0.00 -3.06 -0.01 0.00 -0.01 0.00 0.00 54.79 51.72 1i41 n ASP 369 Cb 0.00 1.07 -0.01 0.00 -1.03 0.00 0.00 41.12 41.15 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 -0.08 -0.14 -2.12 -0.00 -1.26 0.48 117.00 113.88 1i41 n LEU 370 Ca -0.03 0.87 0.11 0.00 -0.00 0.00 0.00 56.01 56.96 1i41 n LEU 370 Cb 0.58 -0.39 0.45 0.00 -0.00 0.00 0.00 43.42 44.06 1i41 n LEU 370 CO 0.30 -0.48 1.20 -0.07 -0.00 0.00 0.00 177.39 178.35 1i41 h LEU 371 N 0.00 0.48 0.46 -1.96 -0.00 -1.97 -0.43 115.31 111.89 1i41 h LEU 371 Ca 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1i41 h LEU 371 Cb 0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1i41 h LEU 371 CO -0.07 0.28 -0.22 0.74 -0.00 0.00 0.00 178.44 179.17 1i41 h THR 372 N 0.53 0.29 -0.76 0.22 2.02 -0.98 -1.08 112.91 113.16 1i41 h THR 372 Ca 0.32 -0.55 0.15 0.00 0.77 0.00 0.00 66.41 67.10 1i41 h THR 372 Cb 0.54 0.44 -0.10 0.00 -1.74 0.00 0.00 68.15 67.29 1i41 h THR 372 CO -0.11 0.06 0.27 0.74 0.37 0.00 0.00 175.52 176.85 1i41 h THR 373 N -1.04 0.60 -0.13 3.16 2.02 0.29 0.16 112.91 117.98 1i41 h THR 373 Ca -0.06 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1i41 h THR 373 Cb 0.56 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1i41 h THR 373 CO 0.10 0.07 -0.17 0.00 0.37 0.00 0.00 175.52 175.89 1i41 h ALA 374 N 1.57 -0.10 -1.00 6.16 0.00 -1.04 0.15 119.26 125.00 1i41 h ALA 374 Ca 0.42 0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.65 1i41 h ALA 374 Cb 0.68 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1i41 h ALA 374 CO -0.44 -0.63 0.58 -0.22 0.00 0.00 0.00 179.25 178.54 1i41 h LYS 375 N -0.22 0.48 0.18 0.00 3.64 0.65 0.41 116.57 121.71 1i41 h LYS 375 Ca 0.10 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1i41 h LYS 375 Cb 0.36 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1i41 h LYS 375 CO -0.25 0.31 -0.09 0.35 -2.27 0.00 0.00 179.45 177.50 1i41 h PHE 376 N 0.49 -0.24 -1.02 1.91 3.57 -0.05 -2.60 116.94 118.99 1i41 h PHE 376 Ca 0.67 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.42 1i41 h PHE 376 Cb 1.36 0.08 -0.10 0.00 2.79 0.00 0.00 35.95 40.09 1i41 h PHE 376 CO -0.01 -0.15 0.65 -0.39 -2.23 0.00 0.00 178.31 176.18 1i41 h VAL 377 N -0.25 0.55 -0.08 1.41 -1.51 -0.77 0.29 116.25 115.89 1i41 h VAL 377 Ca -0.02 -0.16 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 1i41 h VAL 377 Cb 0.20 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.40 1i41 h VAL 377 CO 0.04 0.08 -0.11 0.44 -1.23 0.00 0.00 177.57 176.79 1i41 h ASP 378 N 0.46 0.11 -0.18 4.19 5.19 -0.87 -2.76 116.42 122.55 1i41 h ASP 378 Ca 0.59 -0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.82 1i41 h ASP 378 Cb 1.38 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.86 1i41 h ASP 378 CO -0.32 0.24 -0.51 0.00 -3.12 0.00 0.00 179.24 175.52 1i41 h ALA 379 N 1.78 0.58 -1.73 3.45 0.00 -0.02 -3.45 119.26 119.86 1i41 h ALA 379 Ca 0.02 -0.50 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 1i41 h ALA 379 Cb 0.27 -0.09 0.12 0.00 0.00 0.00 0.00 17.79 18.09 1i41 h ALA 379 CO 0.02 0.68 -0.12 1.28 0.00 0.00 0.00 179.25 181.10 1i41 n LEU 380 N -4.00 0.74 -0.02 0.00 4.77 -1.04 -4.92 117.00 112.53 1i41 n LEU 380 Ca -0.03 1.13 0.03 0.00 -0.03 0.00 0.00 56.01 57.10 1i41 n LEU 380 Cb 0.60 -1.17 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1i41 n LEU 380 CO 0.49 -2.04 -0.67 0.29 -1.33 0.00 0.00 177.39 174.13 1i41 n LYS 381 N 0.76 0.86 -0.05 3.23 4.76 -1.26 -4.85 118.16 121.61 1i41 n LYS 381 Ca 0.12 -0.07 -0.04 0.00 -2.87 0.00 0.00 58.31 55.45 1i41 n LYS 381 Cb 0.31 -1.24 -0.01 0.00 -1.84 0.00 0.00 35.03 32.25 1i41 n LYS 381 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1i41 n ILE 382 N -1.97 1.05 -1.74 -0.18 5.41 -1.26 -4.96 119.36 115.71 1i41 n ILE 382 Ca -0.05 0.29 -0.38 0.00 1.00 0.00 0.00 62.75 63.60 1i41 n ILE 382 Cb 0.40 -2.16 0.05 0.00 -0.71 0.00 0.00 39.64 37.22 1i41 n ILE 382 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1i41 n PRO 383 N -3.99 1.46 -3.19 0.38 -0.04 -1.26 -4.80 135.00 123.56 1i41 n PRO 383 Ca -0.06 0.55 -0.30 0.00 -0.04 0.00 0.00 63.50 63.65 1i41 n PRO 383 Cb 0.22 -2.56 -0.04 0.00 -0.04 0.00 0.00 33.50 31.08 1i41 n PRO 383 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1i41 s TYR 384 N -1.33 3.45 -0.47 0.54 2.02 0.43 -4.80 117.35 117.19 1i41 s TYR 384 Ca 0.76 0.87 -0.18 0.00 -0.37 0.00 0.00 57.07 58.15 1i41 s TYR 384 Cb -0.40 -2.28 0.05 0.00 -0.40 0.00 0.00 41.96 38.93 1i41 s TYR 384 CO 0.46 0.10 0.51 0.42 -1.57 0.00 0.00 175.55 175.47 1i41 s ILE 385 N -2.10 5.02 0.03 2.71 1.01 -1.26 -0.78 121.20 125.84 1i41 s ILE 385 Ca 0.48 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 60.26 1i41 s ILE 385 Cb -0.11 -4.18 0.10 0.00 0.01 0.00 0.00 42.46 38.29 1i41 s ILE 385 CO 0.27 -0.64 1.20 0.00 0.00 0.00 0.00 174.94 175.78 1i41 s ALA 386 N 2.24 -2.09 1.00 9.38 0.00 -0.95 -4.98 121.76 126.36 1i41 s ALA 386 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1i41 s ALA 386 Cb -0.20 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1i41 s ALA 386 CO 0.11 -1.06 0.00 -2.30 0.00 0.00 0.00 175.76 172.51 1i41 n PRO 387 N -0.55 0.82 -1.43 0.00 -0.02 -1.26 -4.44 135.00 128.12 1i41 n PRO 387 Ca -0.06 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.61 1i41 n PRO 387 Cb 0.62 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.04 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 -0.37 -8.53 -3.60 2.55 2.88 -1.26 -4.95 113.62 100.35 1i41 n SER 388 Ca 0.00 0.73 0.01 0.00 -1.33 0.00 0.00 58.87 58.28 1i41 n SER 388 Cb 0.00 -4.43 -0.01 0.00 -0.75 0.00 0.00 64.21 59.02 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 -2.59 -0.03 0.00 0.66 -0.12 -1.26 -4.91 117.98 109.73 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 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 1i41 s PHE 389 CO 0.00 -0.08 0.00 0.41 -0.05 0.00 0.00 175.22 175.50 1i41 n GLY 390 N -0.30 0.45 3.96 1.99 0.00 -1.26 -4.32 105.19 105.70 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 -1.33 1.71 0.38 -0.02 0.00 -1.26 -4.23 107.32 102.58 1i41 s GLY 391 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 44.72 43.67 1i41 s GLY 391 CO 0.00 -0.86 1.96 0.00 0.00 0.00 0.00 173.10 174.19 1i41 s GLU 393 N -5.60 4.72 0.34 0.00 8.01 -1.26 -0.15 118.70 124.76 1i41 s GLU 393 Ca -0.09 1.57 -0.26 0.00 0.01 0.00 0.00 54.97 56.21 1i41 s GLU 393 Cb 0.20 -3.30 -0.10 0.00 -4.31 0.00 0.00 34.13 26.62 1i41 s GLU 393 CO 0.77 0.28 1.00 -1.12 0.01 0.00 0.00 175.26 176.19 1i41 s SER 394 N -0.52 7.13 0.05 -0.19 0.01 -1.26 -4.36 113.70 114.56 1i41 s SER 394 Ca 0.45 1.95 0.02 0.00 1.31 0.00 0.00 55.95 59.68 1i41 s SER 394 Cb -0.27 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.35 1i41 s SER 394 CO 0.33 -0.22 -0.07 -0.63 0.41 0.00 0.00 173.24 173.06 1i41 s ILE 395 N -1.58 0.54 0.04 1.44 1.01 -0.62 -0.43 121.20 121.60 1i41 s ILE 395 Ca 0.52 -1.29 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 1i41 s ILE 395 Cb -0.21 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1i41 s ILE 395 CO 0.27 -0.52 0.06 0.68 0.00 0.00 0.00 174.94 175.42 1i41 s VAL 396 N -1.98 0.16 0.02 2.92 -7.23 0.04 -0.47 120.40 113.85 1i41 s VAL 396 Ca -0.05 -1.28 -0.28 0.00 -1.81 0.00 0.00 61.98 58.57 1i41 s VAL 396 Cb -0.06 -1.04 0.10 0.00 0.56 0.00 0.00 36.38 35.94 1i41 s VAL 396 CO -0.01 -0.71 0.82 1.51 -0.31 0.00 0.00 175.10 176.40 1i41 s ASP 397 N -2.34 -0.43 -0.85 4.85 -4.77 -0.94 -2.25 116.67 109.95 1i41 s ASP 397 Ca -0.02 0.08 -0.04 0.00 -3.30 0.00 0.00 52.55 49.27 1i41 s ASP 397 Cb 0.01 0.44 0.21 0.00 -1.09 0.00 0.00 42.92 42.49 1i41 s ASP 397 CO -0.06 -0.68 0.73 -1.58 0.70 0.00 0.00 175.17 174.28 1i41 s GLN 398 N -2.98 3.22 0.13 2.11 0.74 -1.26 -1.71 119.66 119.90 1i41 s GLN 398 Ca 0.03 -3.03 0.03 0.00 0.05 0.00 0.00 55.36 52.43 1i41 s GLN 398 Cb -0.01 -4.00 0.38 0.00 1.10 0.00 0.00 33.01 30.48 1i41 s GLN 398 CO -0.08 -1.24 0.62 -2.30 -0.55 0.00 0.00 175.29 171.74 1i41 n PRO 399 N 2.77 -0.03 -0.07 1.67 -0.02 -1.26 0.13 135.00 138.19 1i41 n PRO 399 Ca 0.18 0.58 -0.08 0.00 -2.02 0.00 0.00 63.50 62.16 1i41 n PRO 399 Cb 0.38 -0.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.89 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 0.79 -0.20 0.00 3.55 0.00 -1.84 -0.51 119.26 121.06 1i41 h ALA 400 Ca 0.27 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1i41 h ALA 400 Cb 0.62 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1i41 h ALA 400 CO -0.35 -0.72 -0.25 0.82 0.00 0.00 0.00 179.25 178.75 1i41 h ILE 401 N -0.28 0.65 -1.10 0.00 2.04 0.76 0.43 117.51 120.01 1i41 h ILE 401 Ca 0.15 -1.55 0.36 0.00 1.00 0.00 0.00 64.86 64.82 1i41 h ILE 401 Cb 0.52 1.30 -0.14 0.00 -0.74 0.00 0.00 36.82 37.75 1i41 h ILE 401 CO -0.46 0.22 0.66 -0.03 0.00 0.00 0.00 178.15 178.54 1i41 h MET 402 N -1.00 0.21 0.00 2.37 4.05 -0.82 -3.08 114.93 116.65 1i41 h MET 402 Ca -0.05 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1i41 h MET 402 Cb 0.55 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.22 1i41 h MET 402 CO -0.03 0.14 -0.44 0.43 0.23 0.00 0.00 176.91 177.24 1i41 n SER 403 N -4.92 0.07 0.00 1.39 7.64 -0.24 -4.89 113.62 112.66 1i41 n SER 403 Ca 0.34 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.48 1i41 n SER 403 Cb 1.15 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 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 0.09 0.00 0.31 1.43 4.02 -0.85 -4.87 117.16 117.29 1i41 n TYR 404 Ca -0.02 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.03 1i41 n TYR 404 Cb 0.73 0.05 0.72 0.00 -0.02 0.00 0.00 39.34 40.82 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 -0.85 -1.82 115.95 115.48 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 0.97 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 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 -2.73 0.00 -4.66 2.65 5.75 -1.26 -4.78 116.55 111.52 1i41 n ASP 406 Ca 0.00 -0.44 -0.25 0.00 -0.01 0.00 0.00 54.79 54.09 1i41 n ASP 406 Cb 0.20 -0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.19 2.99 0.39 -2.12 1.43 -0.68 -5.13 118.68 113.36 1i41 s LEU 407 Ca 0.28 -1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.10 1i41 s LEU 407 Cb 0.14 -1.28 -0.10 0.00 0.03 0.00 0.00 46.19 44.99 1i41 s LEU 407 CO 0.27 -0.36 0.85 -0.94 0.23 0.00 0.00 176.35 176.39 1i41 s SER 408 N -3.76 6.83 0.43 2.29 1.04 -1.26 -4.83 113.70 114.43 1i41 s SER 408 Ca 0.37 1.48 0.24 0.00 0.48 0.00 0.00 55.95 58.52 1i41 s SER 408 Cb 0.03 -2.46 1.25 0.00 0.10 0.00 0.00 66.02 64.95 1i41 s SER 408 CO 0.20 -0.31 1.73 -0.61 0.98 0.00 0.00 173.24 175.23 1i41 h GLN 409 N 1.97 0.25 0.06 4.02 5.75 -1.97 0.72 115.11 125.91 1i41 h GLN 409 Ca -0.48 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1i41 h GLN 409 Cb 1.18 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1i41 h GLN 409 CO 0.63 0.16 -0.03 0.66 -2.65 0.00 0.00 178.83 177.60 1i41 h SER 410 N 0.26 -0.07 0.17 -0.69 4.64 -1.99 -2.84 113.55 113.02 1i41 h SER 410 Ca 0.66 -0.55 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1i41 h SER 410 Cb 1.93 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1i41 h SER 410 CO -0.30 0.62 -0.03 0.44 -0.87 0.00 0.00 176.83 176.68 1i41 h ASP 411 N -0.88 0.00 0.01 4.97 3.32 -1.38 -2.28 116.42 120.19 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 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1i41 h ASP 411 CO 0.01 0.03 -0.01 0.03 -1.72 0.00 0.00 179.24 177.59 1i41 h ARG 412 N 0.00 -0.02 0.00 3.56 3.08 0.33 -2.96 114.38 118.37 1i41 h ARG 412 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i41 h ARG 412 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1i41 h ARG 412 CO 0.00 0.56 0.00 0.00 -1.07 0.00 0.00 179.97 179.47 1i41 h ALA 413 N 0.34 1.00 0.00 0.04 0.00 -1.19 -2.24 119.26 117.21 1i41 h ALA 413 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i41 h ALA 413 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1i41 h ALA 413 CO 0.00 0.00 0.21 -0.22 0.00 0.00 0.00 179.25 179.24 1i41 h LYS 414 N 0.00 0.00 -0.72 0.00 3.64 -1.25 -2.41 116.57 115.83 1i41 h LYS 414 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1i41 h LYS 414 Cb 0.12 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.54 1i41 h LYS 414 CO 0.00 0.00 -1.13 0.66 -2.27 0.00 0.00 179.45 176.71 1i41 n TYR 415 N -2.40 1.34 0.00 1.91 4.01 -0.84 -4.99 117.16 116.19 1i41 n TYR 415 Ca -0.01 -2.45 0.00 0.00 -0.16 0.00 0.00 57.90 55.27 1i41 n TYR 415 Cb 0.24 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 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 -0.37 1.06 3.55 2.72 0.00 -0.91 -4.90 105.19 106.34 1i41 n GLY 416 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1i41 n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i41 s ILE 417 N -0.75 3.02 0.33 -0.61 -1.09 -1.22 -4.93 121.20 115.94 1i41 s ILE 417 Ca 0.00 0.01 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1i41 s ILE 417 Cb 0.00 -3.05 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 1i41 s ILE 417 CO 0.00 -0.05 0.48 -0.04 -1.23 0.00 0.00 174.94 174.10 1i41 s MET 418 N 8.23 3.28 0.34 2.79 -1.94 -1.26 -3.81 119.30 126.93 1i41 s MET 418 Ca 0.96 -0.71 0.26 0.00 -1.71 0.00 0.00 55.69 54.50 1i41 s MET 418 Cb -0.17 -2.77 0.90 0.00 2.01 0.00 0.00 34.83 34.80 1i41 s MET 418 CO 0.26 0.14 1.77 -0.44 -0.01 0.00 0.00 175.02 176.74 1i41 h ASP 419 N 0.87 0.00 0.23 3.03 5.19 -1.96 -3.05 116.42 120.73 1i41 h ASP 419 Ca -0.49 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 55.58 1i41 h ASP 419 Cb 1.24 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.76 1i41 h ASP 419 CO 0.58 0.00 -1.69 0.78 -3.12 0.00 0.00 179.24 175.79 1i41 h ASN 420 N 0.00 0.65 -0.98 6.45 4.21 -1.86 -3.38 115.58 120.67 1i41 h ASN 420 Ca 0.00 -0.90 -0.85 0.00 1.21 0.00 0.00 56.30 55.76 1i41 h ASN 420 Cb 0.62 -0.21 0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1i41 h ASN 420 CO 0.00 1.75 0.59 -0.11 -1.29 0.00 0.00 177.43 178.37 1i41 n LEU 421 N -3.61 1.01 -4.13 1.61 7.94 -1.15 -3.33 117.00 115.34 1i41 n LEU 421 Ca -0.23 1.16 -0.24 0.00 -1.11 0.00 0.00 56.01 55.59 1i41 n LEU 421 Cb 1.08 -0.87 -0.15 0.00 0.53 0.00 0.00 43.42 44.01 1i41 n LEU 421 CO 0.53 -0.97 -0.49 -0.69 -1.11 0.00 0.00 177.39 174.66 1i41 s VAL 422 N 2.51 1.27 -0.21 1.96 1.01 0.62 -4.23 120.40 123.33 1i41 s VAL 422 Ca 1.01 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1i41 s VAL 422 Cb -1.43 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1i41 s VAL 422 CO 0.77 0.36 -0.06 -0.60 0.00 0.00 0.00 175.10 175.57 1i41 s ARG 423 N -0.25 3.37 -0.26 2.72 3.52 -0.70 -0.38 118.95 126.97 1i41 s ARG 423 Ca 0.03 -0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 54.98 1i41 s ARG 423 Cb -0.08 -2.95 0.03 0.00 -1.56 0.00 0.00 34.95 30.40 1i41 s ARG 423 CO 0.00 -0.15 -0.05 0.12 -0.81 0.00 0.00 175.30 174.42 1i41 s PHE 424 N 1.33 3.12 -0.53 5.12 2.19 0.16 -2.21 117.98 127.16 1i41 s PHE 424 Ca 0.04 -1.64 -0.17 0.00 0.33 0.00 0.00 56.93 55.49 1i41 s PHE 424 Cb -0.14 -2.07 0.10 0.00 -1.31 0.00 0.00 43.02 39.60 1i41 s PHE 424 CO -0.03 -0.75 0.53 0.45 1.83 0.00 0.00 175.22 177.25 1i41 s SER 425 N 1.31 6.18 0.05 6.13 0.15 0.38 -0.77 113.70 127.13 1i41 s SER 425 Ca -0.01 -1.45 -0.31 0.00 0.70 0.00 0.00 55.95 54.88 1i41 s SER 425 Cb -0.17 -2.23 -0.07 0.00 -1.71 0.00 0.00 66.02 61.83 1i41 s SER 425 CO -0.04 -0.86 1.47 -0.36 1.20 0.00 0.00 173.24 174.66 1i41 s PHE 426 N 1.99 2.84 0.00 3.44 0.08 -0.64 -1.58 117.98 124.11 1i41 s PHE 426 Ca 0.07 0.71 0.00 0.00 0.12 0.00 0.00 56.93 57.83 1i41 s PHE 426 Cb -0.26 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.43 1i41 s PHE 426 CO 0.06 -2.86 0.00 0.41 -0.10 0.00 0.00 175.22 172.73 1i41 n GLY 427 N 3.71 0.15 0.00 4.36 0.00 -1.26 -4.79 105.19 107.35 1i41 n GLY 427 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.78 -4.59 118.33 115.65 1i41 n VAL 428 Ca 0.00 -0.35 -0.33 0.00 -0.01 0.00 0.00 64.34 63.65 1i41 n VAL 428 Cb 0.00 1.26 0.13 0.00 -0.91 0.00 0.00 33.84 34.32 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 -0.09 -0.30 -1.66 5.55 4.71 -1.26 -4.85 120.64 122.74 1i41 n GLU 429 Ca 0.00 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.16 56.70 1i41 n GLU 429 Cb 0.06 -1.97 0.02 0.00 -1.01 0.00 0.00 31.44 28.54 1i41 n GLU 429 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1i41 n ASP 430 N -1.92 1.88 0.19 1.62 2.03 -1.26 -4.85 116.55 114.24 1i41 n ASP 430 Ca 0.08 1.04 -0.09 0.00 0.52 0.00 0.00 54.79 56.34 1i41 n ASP 430 Cb 0.53 -1.44 -0.05 0.00 -0.72 0.00 0.00 41.12 39.45 1i41 n ASP 430 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1i41 h PHE 431 N 1.68 -0.67 -0.91 -0.67 3.57 -1.99 -2.17 116.94 115.78 1i41 h PHE 431 Ca -0.47 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.20 1i41 h PHE 431 Cb 1.32 0.24 -0.17 0.00 2.79 0.00 0.00 35.95 40.14 1i41 h PHE 431 CO 0.45 -0.35 -0.28 -0.44 -2.23 0.00 0.00 178.31 175.45 1i41 h ASP 432 N -0.57 -1.04 -0.59 0.41 3.32 -1.98 0.57 116.42 116.54 1i41 h ASP 432 Ca -0.05 0.28 0.12 0.00 0.02 0.00 0.00 57.03 57.40 1i41 h ASP 432 Cb 0.46 0.62 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1i41 h ASP 432 CO 0.03 -0.30 0.09 0.44 -1.72 0.00 0.00 179.24 177.77 1i41 h ASP 433 N -0.02 -0.08 0.25 6.45 3.32 -1.89 0.26 116.42 124.71 1i41 h ASP 433 Ca 0.40 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.56 1i41 h ASP 433 Cb 0.64 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1i41 h ASP 433 CO -0.93 -0.03 -0.12 -0.07 -1.72 0.00 0.00 179.24 176.37 1i41 h LEU 434 N 0.21 -0.28 -0.18 1.55 3.38 0.66 -2.49 115.31 118.15 1i41 h LEU 434 Ca 0.31 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1i41 h LEU 434 Cb 0.48 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1i41 h LEU 434 CO -0.43 0.06 -0.41 0.50 0.09 0.00 0.00 178.44 178.25 1i41 h LYS 435 N -0.65 -0.44 -0.90 1.13 3.64 -0.24 0.14 116.57 119.25 1i41 h LYS 435 Ca -0.03 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.59 1i41 h LYS 435 Cb 0.46 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 32.26 1i41 h LYS 435 CO 0.06 -0.29 0.40 0.00 -2.27 0.00 0.00 179.45 177.34 1i41 h ALA 436 N 0.20 1.44 0.75 5.00 0.00 -0.51 0.25 119.26 126.38 1i41 h ALA 436 Ca 0.09 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 436 Cb 0.61 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1i41 h ALA 436 CO -0.43 -0.33 -0.36 0.22 0.00 0.00 0.00 179.25 178.35 1i41 h ASP 437 N 0.41 -0.85 -0.73 0.00 3.58 -0.45 -0.37 116.42 118.02 1i41 h ASP 437 Ca 0.56 0.03 0.16 0.00 0.42 0.00 0.00 57.03 58.20 1i41 h ASP 437 Cb 1.06 0.22 -0.12 0.00 1.72 0.00 0.00 39.33 42.21 1i41 h ASP 437 CO -0.52 -0.54 0.08 0.40 -2.88 0.00 0.00 179.24 175.78 1i41 h ILE 438 N -1.14 0.43 0.51 2.25 2.04 0.08 -1.45 117.51 120.24 1i41 h ILE 438 Ca -0.10 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1i41 h ILE 438 Cb 0.77 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1i41 h ILE 438 CO 0.17 0.03 -0.25 -0.07 0.00 0.00 0.00 178.15 178.03 1i41 h LEU 439 N 0.17 -0.58 -1.25 1.44 3.38 -0.48 -1.31 115.31 116.68 1i41 h LEU 439 Ca 0.40 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.50 1i41 h LEU 439 Cb 0.71 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1i41 h LEU 439 CO -0.58 -0.40 0.76 -0.61 0.09 0.00 0.00 178.44 177.70 1i41 h GLN 440 N -0.72 0.00 0.00 1.13 -0.00 -0.82 0.11 115.11 114.81 1i41 h GLN 440 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 1i41 h GLN 440 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1i41 h GLN 440 CO 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 178.83 178.80 1i41 h ALA 441 N 0.83 0.03 0.00 3.38 0.00 -0.82 -3.29 119.26 119.38 1i41 h ALA 441 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1i41 h ALA 441 Cb 1.70 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1i41 h ALA 441 CO -0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1i41 n LEU 442 N -4.62 0.53 -0.05 0.00 4.77 0.37 -2.05 117.00 115.95 1i41 n LEU 442 Ca -0.10 -0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 55.53 1i41 n LEU 442 Cb 0.40 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1i41 n LEU 442 CO 0.25 0.12 -0.85 0.47 -1.33 0.00 0.00 177.39 176.05 1i41 n ASP 443 N 0.32 3.00 0.00 -1.43 9.92 -1.10 -4.50 116.55 122.77 1i41 n ASP 443 Ca 0.00 -0.04 0.01 0.00 -0.53 0.00 0.00 54.79 54.22 1i41 n ASP 443 Cb 0.12 -0.18 0.04 0.00 -0.64 0.00 0.00 41.12 40.47 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 -2.86 0.00 0.00 -2.24 7.64 -0.87 -5.14 113.62 110.15 1i41 n SER 444 Ca -0.19 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1i41 n SER 444 Cb 0.70 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1i41 n SER 444 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65