#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i41 s ALA 51 N 0.00 3.06 -1.59 2.98 0.00 -1.26 -5.03 121.76 119.91 1i41 s ALA 51 Ca 0.00 -1.67 0.24 0.00 0.00 0.00 0.00 51.96 50.53 1i41 s ALA 51 Cb 0.00 0.39 0.33 0.00 0.00 0.00 0.00 23.12 23.85 1i41 s ALA 51 CO 0.00 -0.20 1.30 -1.13 0.00 0.00 0.00 175.76 175.73 1i41 n SER 52 N -0.99 1.23 -0.48 0.00 3.41 -1.26 -3.94 113.62 111.59 1i41 n SER 52 Ca -0.07 -0.98 0.04 0.00 -0.26 0.00 0.00 58.87 57.60 1i41 n SER 52 Cb 0.67 0.39 0.12 0.00 -0.26 0.00 0.00 64.21 65.13 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 -0.74 0.37 -3.72 7.33 1.16 -1.26 -4.86 117.46 115.73 1i41 n PHE 53 Ca 0.09 -0.54 -0.29 0.00 -1.87 0.00 0.00 57.45 54.84 1i41 n PHE 53 Cb 0.38 -0.06 -0.16 0.00 -1.61 0.00 0.00 39.48 38.04 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 -1.17 1.66 0.00 5.98 1.43 -1.25 -4.99 118.68 120.34 1i41 s LEU 54 Ca 0.19 -1.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.01 1i41 s LEU 54 Cb 0.11 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 1i41 s LEU 54 CO 0.11 -0.37 0.16 0.59 0.23 0.00 0.00 176.35 177.07 1i41 n ASN 55 N 4.96 0.29 -4.73 2.29 5.03 -1.26 -4.49 115.26 117.36 1i41 n ASN 55 Ca -0.05 -0.65 -0.36 0.00 0.87 0.00 0.00 54.58 54.39 1i41 n ASN 55 Cb 0.44 0.76 -0.07 0.00 -1.02 0.00 0.00 39.78 39.89 1i41 n ASN 55 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1i41 s SER 56 N -0.85 6.44 0.27 6.41 0.15 -1.26 -4.97 113.70 119.88 1i41 s SER 56 Ca 0.01 0.51 -0.03 0.00 0.70 0.00 0.00 55.95 57.13 1i41 s SER 56 Cb 0.01 -2.18 0.56 0.00 -1.71 0.00 0.00 66.02 62.69 1i41 s SER 56 CO 0.03 0.11 1.62 0.44 1.20 0.00 0.00 173.24 176.65 1i41 h ASP 57 N 6.61 -0.31 -0.09 5.45 3.32 -1.99 0.49 116.42 129.89 1i41 h ASP 57 Ca -0.42 0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1i41 h ASP 57 Cb 1.17 0.36 -0.05 0.00 0.22 0.00 0.00 39.33 41.02 1i41 h ASP 57 CO 0.75 -0.21 -0.26 1.23 -1.72 0.00 0.00 179.24 179.03 1i41 h GLY 58 N 0.11 -0.33 0.28 2.75 0.00 -1.99 0.13 103.07 104.01 1i41 h GLY 58 Ca 0.48 0.32 0.13 0.00 0.00 0.00 0.00 47.33 48.26 1i41 h GLY 58 CO -0.72 -0.21 0.39 1.76 0.00 0.00 0.00 176.54 177.76 1i41 h SER 59 N -0.35 0.47 0.50 0.19 0.02 -1.34 -2.37 113.55 110.67 1i41 h SER 59 Ca 0.09 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1i41 h SER 59 Cb 0.48 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1i41 h SER 59 CO -0.29 0.22 -0.24 0.58 -1.14 0.00 0.00 176.83 175.95 1i41 h VAL 60 N 0.59 0.00 -1.18 2.27 2.07 -0.46 -2.01 116.25 117.54 1i41 h VAL 60 Ca 0.42 -0.06 0.39 0.00 0.82 0.00 0.00 66.70 68.28 1i41 h VAL 60 Cb 0.57 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 1i41 h VAL 60 CO -0.34 0.00 0.78 0.00 0.02 0.00 0.00 177.57 178.03 1i41 n ALA 61 N -2.38 1.16 0.00 1.67 0.00 0.34 0.19 120.51 121.50 1i41 n ALA 61 Ca -0.08 0.66 -0.01 0.00 0.00 0.00 0.00 53.44 54.00 1i41 n ALA 61 Cb 0.26 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.18 0.00 2.04 -1.14 -3.39 117.51 114.84 1i41 h ILE 62 Ca 0.70 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1i41 h ILE 62 Cb 2.39 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1i41 h ILE 62 CO -0.30 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.26 1i41 n HIS 63 N -3.69 0.23 -1.68 1.37 8.25 -0.33 -4.90 115.22 114.47 1i41 n HIS 63 Ca -0.01 -0.11 -0.43 0.00 -0.26 0.00 0.00 57.72 56.91 1i41 n HIS 63 Cb 0.03 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 0.38 1.72 -2.75 -1.41 0.00 0.52 -1.90 120.51 117.06 1i41 n ALA 64 Ca 0.16 0.27 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 1i41 n ALA 64 Cb 0.34 -2.61 0.02 0.00 0.00 0.00 0.00 19.45 17.20 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 4.37 -0.28 2.06 0.00 0.00 -1.26 -4.27 105.19 105.81 1i41 n GLY 65 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1i41 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i41 n GLU 66 N -3.20 0.00 -0.34 1.61 1.02 -0.80 -4.78 120.64 114.16 1i41 n GLU 66 Ca -0.11 0.00 0.32 0.00 -0.02 0.00 0.00 57.16 57.35 1i41 n GLU 66 Cb 0.61 0.00 0.67 0.00 -0.02 0.00 0.00 31.44 32.70 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 0.12 0.00 3.49 9.65 -1.81 -1.88 114.38 123.95 1i41 h ARG 67 Ca 0.00 -0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.64 1i41 h ARG 67 Cb 0.00 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1i41 h ARG 67 CO 0.00 0.08 -1.67 1.28 2.80 0.00 0.00 179.97 182.46 1i41 n LEU 68 N -4.34 0.71 0.00 3.80 4.77 -1.26 -5.04 117.00 115.63 1i41 n LEU 68 Ca 0.27 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1i41 n LEU 68 Cb 1.17 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 42.42 1i41 n LEU 68 CO 0.35 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1i41 n GLY 69 N 1.49 2.28 0.00 -0.72 0.00 -0.71 -5.07 105.19 102.47 1i41 n GLY 69 Ca -0.15 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1i41 n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i41 n ARG 70 N -0.59 0.87 -0.17 1.61 0.63 -1.26 -4.00 116.66 113.74 1i41 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1i41 n ARG 70 Cb 0.00 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 31.97 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i41 n GLY 71 N 2.22 1.32 2.37 5.14 0.00 -1.26 -4.90 105.19 110.08 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 -0.04 -1.60 -0.61 3.06 -1.26 -5.11 119.36 111.81 1i41 n ILE 72 Ca 0.00 -4.16 -0.62 0.00 -2.50 0.00 0.00 62.75 55.47 1i41 n ILE 72 Cb 0.00 -1.92 -0.09 0.00 0.54 0.00 0.00 39.64 38.17 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 1.77 0.00 -3.60 9.51 0.31 -1.26 -4.96 118.33 120.11 1i41 n VAL 73 Ca 0.25 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.44 1i41 n VAL 73 Cb 0.47 -0.22 -0.06 0.00 -0.91 0.00 0.00 33.84 33.12 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 1.16 0.00 -0.27 2.52 -4.23 -1.26 -5.01 115.64 108.55 1i41 s THR 74 Ca 0.96 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.49 1i41 s THR 74 Cb -1.34 -1.00 0.39 0.00 1.34 0.00 0.00 72.50 71.89 1i41 s THR 74 CO 0.66 0.00 1.54 -0.90 -0.54 0.00 0.00 174.62 175.38 1i41 n ASP 75 N 1.86 3.45 -4.94 3.99 5.75 -1.26 -4.88 116.55 120.53 1i41 n ASP 75 Ca -0.14 -2.95 -0.26 0.00 -0.01 0.00 0.00 54.79 51.43 1i41 n ASP 75 Cb 0.56 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.95 3.82 -0.09 2.12 0.00 -1.26 -5.04 121.76 119.36 1i41 s ALA 76 Ca 0.34 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 1i41 s ALA 76 Cb 0.28 -1.99 -0.14 0.00 0.00 0.00 0.00 23.12 21.28 1i41 s ALA 76 CO 0.06 0.32 0.58 0.82 0.00 0.00 0.00 175.76 177.55 1i41 h ILE 77 N 1.35 0.83 -4.45 0.00 2.04 -2.03 -3.47 117.51 111.77 1i41 h ILE 77 Ca -0.49 -1.41 -0.46 0.00 1.00 0.00 0.00 64.86 63.50 1i41 h ILE 77 Cb 1.20 1.50 0.12 0.00 -0.74 0.00 0.00 36.82 38.90 1i41 h ILE 77 CO 0.66 0.25 0.40 0.42 0.00 0.00 0.00 178.15 179.88 1i41 s THR 78 N -2.55 2.00 -0.01 -0.27 -4.23 -1.26 -4.99 115.64 104.33 1i41 s THR 78 Ca -0.11 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.15 1i41 s THR 78 Cb -0.01 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1i41 s THR 78 CO 0.39 0.00 0.78 -0.89 -0.54 0.00 0.00 174.62 174.36 1i41 s THR 79 N -3.62 4.89 0.17 3.99 2.01 -1.26 -5.03 115.64 116.79 1i41 s THR 79 Ca 0.65 1.64 -0.30 0.00 0.31 0.00 0.00 61.69 63.99 1i41 s THR 79 Cb -0.10 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.21 1i41 s THR 79 CO 0.50 0.28 1.08 -2.84 -0.69 0.00 0.00 174.62 172.95 1i41 s PRO 80 N 0.50 4.61 -0.39 4.92 0.02 -1.26 -4.99 135.00 138.42 1i41 s PRO 80 Ca 0.41 1.69 -0.28 0.00 0.02 0.00 0.00 61.00 62.84 1i41 s PRO 80 Cb -0.19 -3.28 0.02 0.00 0.02 0.00 0.00 34.50 31.06 1i41 s PRO 80 CO 0.22 0.10 1.03 0.08 -0.33 0.00 0.00 177.00 178.10 1i41 s VAL 81 N -0.25 4.45 -0.50 3.83 1.01 -1.26 -4.52 120.40 123.16 1i41 s VAL 81 Ca 0.49 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.65 1i41 s VAL 81 Cb -0.29 -4.44 0.07 0.00 0.00 0.00 0.00 36.38 31.73 1i41 s VAL 81 CO 0.34 -0.66 0.53 -0.69 0.00 0.00 0.00 175.10 174.62 1i41 s VAL 82 N 3.81 5.04 -1.20 2.92 1.01 -1.26 -4.99 120.40 125.73 1i41 s VAL 82 Ca 0.43 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1i41 s VAL 82 Cb -0.11 -4.24 0.22 0.00 0.00 0.00 0.00 36.38 32.25 1i41 s VAL 82 CO 0.21 -0.73 1.65 0.59 0.00 0.00 0.00 175.10 176.82 1i41 n ASN 83 N 5.72 5.54 -4.22 3.32 3.02 -1.26 -4.80 115.26 122.58 1i41 n ASN 83 Ca -0.10 -3.18 -0.23 0.00 -0.03 0.00 0.00 54.58 51.04 1i41 n ASN 83 Cb 0.44 -1.42 -0.14 0.00 -0.61 0.00 0.00 39.78 38.05 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 -0.54 1.48 -1.25 3.41 -1.32 -1.26 -5.02 115.64 111.14 1i41 s THR 84 Ca 0.37 -1.17 0.23 0.00 -1.21 0.00 0.00 61.69 59.91 1i41 s THR 84 Cb 0.05 -1.31 -0.08 0.00 -1.51 0.00 0.00 72.50 69.65 1i41 s THR 84 CO 0.03 0.11 1.13 -1.54 -2.21 0.00 0.00 174.62 172.14 1i41 n SER 85 N 1.78 1.05 -3.46 8.08 3.41 -1.26 -4.74 113.62 118.48 1i41 n SER 85 Ca -0.18 -0.89 -0.12 0.00 -0.26 0.00 0.00 58.87 57.43 1i41 n SER 85 Cb 0.54 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 65.09 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 -2.86 -1.69 -0.02 7.33 0.00 -1.26 -2.06 121.76 121.19 1i41 s ALA 86 Ca 0.12 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1i41 s ALA 86 Cb 0.17 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1i41 s ALA 86 CO 0.74 -0.67 -0.19 0.71 0.00 0.00 0.00 175.76 176.36 1i41 s TYR 87 N -3.10 2.56 0.26 0.00 1.51 -0.39 -4.94 117.35 113.25 1i41 s TYR 87 Ca -0.00 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1i41 s TYR 87 Cb -0.01 -1.55 0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1i41 s TYR 87 CO -0.08 0.14 0.36 1.97 -1.11 0.00 0.00 175.55 176.83 1i41 n PHE 88 N 2.17 -2.73 -3.88 2.71 1.16 -1.26 -4.73 117.46 110.90 1i41 n PHE 88 Ca -0.17 -0.93 -0.11 0.00 -1.87 0.00 0.00 57.45 54.37 1i41 n PHE 88 Cb 0.52 -0.25 -0.11 0.00 -1.61 0.00 0.00 39.48 38.02 1i41 n PHE 88 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1i41 s PHE 89 N -0.65 0.03 0.01 2.97 0.40 -1.26 -5.03 117.98 114.45 1i41 s PHE 89 Ca 0.27 -0.07 0.21 0.00 -0.60 0.00 0.00 56.93 56.74 1i41 s PHE 89 Cb -0.02 -0.05 0.61 0.00 0.51 0.00 0.00 43.02 44.07 1i41 s PHE 89 CO 0.17 -0.18 1.69 -0.91 0.70 0.00 0.00 175.22 176.70 1i41 h ASN 90 N 5.01 0.00 -3.54 1.36 2.35 -2.01 -3.46 115.58 115.29 1i41 h ASN 90 Ca -0.29 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.55 1i41 h ASN 90 Cb 1.20 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.32 1i41 h ASN 90 CO 0.42 0.30 0.54 -1.59 -1.65 0.00 0.00 177.43 175.45 1i41 s LYS 91 N -3.41 0.50 0.39 0.81 -2.85 -1.26 -5.03 119.74 108.89 1i41 s LYS 91 Ca 0.02 0.34 0.24 0.00 -1.00 0.00 0.00 55.97 55.56 1i41 s LYS 91 Cb 0.09 0.24 1.34 0.00 -2.06 0.00 0.00 37.83 37.44 1i41 s LYS 91 CO 0.67 -0.11 1.61 1.15 0.10 0.00 0.00 175.35 178.77 1i41 h THR 92 N 3.04 0.09 -0.16 3.79 2.02 -2.00 0.13 112.91 119.82 1i41 h THR 92 Ca -0.23 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 66.97 1i41 h THR 92 Cb 1.17 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 1i41 h THR 92 CO 0.21 0.02 -0.40 -1.28 0.37 0.00 0.00 175.52 174.43 1i41 h SER 93 N 0.08 -1.26 -0.10 4.18 0.87 -2.00 -0.98 113.55 114.35 1i41 h SER 93 Ca 0.83 0.17 0.01 0.00 -1.23 0.00 0.00 61.79 61.57 1i41 h SER 93 Cb 2.30 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 64.77 1i41 h SER 93 CO -0.61 -0.41 0.02 -0.33 -0.53 0.00 0.00 176.83 174.97 1i41 h GLU 94 N -0.46 0.05 -0.75 2.24 5.08 -1.16 -1.87 114.58 117.71 1i41 h GLU 94 Ca 0.09 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.58 1i41 h GLU 94 Cb 0.61 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.70 1i41 h GLU 94 CO -0.41 0.04 -0.27 1.25 -1.00 0.00 0.00 179.01 178.62 1i41 h LEU 95 N 0.06 -0.97 0.30 1.33 5.85 -1.10 0.17 115.31 120.94 1i41 h LEU 95 Ca 0.04 0.24 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1i41 h LEU 95 Cb 0.04 0.56 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1i41 h LEU 95 CO -0.06 -0.28 -0.39 0.40 -0.34 0.00 0.00 178.44 177.77 1i41 h ILE 96 N -0.05 0.20 -0.97 4.05 2.04 -0.71 0.37 117.51 122.44 1i41 h ILE 96 Ca 0.33 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.30 1i41 h ILE 96 Cb 0.57 0.20 -0.13 0.00 -0.74 0.00 0.00 36.82 36.72 1i41 h ILE 96 CO -0.80 0.00 -0.52 0.44 0.00 0.00 0.00 178.15 177.28 1i41 h ASP 97 N -0.74 -1.90 -0.16 1.72 3.32 0.05 0.76 116.42 119.46 1i41 h ASP 97 Ca -0.01 0.32 0.05 0.00 0.02 0.00 0.00 57.03 57.40 1i41 h ASP 97 Cb 0.70 0.88 -0.05 0.00 0.22 0.00 0.00 39.33 41.08 1i41 h ASP 97 CO -0.12 -0.26 -0.16 0.15 -1.72 0.00 0.00 179.24 177.13 1i41 h PHE 98 N -0.02 -0.42 -0.45 4.55 3.57 -0.58 0.75 116.94 124.34 1i41 h PHE 98 Ca 0.22 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.85 1i41 h PHE 98 Cb 0.48 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1i41 h PHE 98 CO -0.96 -0.24 0.32 0.87 -2.23 0.00 0.00 178.31 176.07 1i41 h LYS 99 N -0.19 0.14 -0.59 1.11 1.79 0.21 0.97 116.57 120.01 1i41 h LYS 99 Ca 0.11 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1i41 h LYS 99 Cb 0.35 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1i41 h LYS 99 CO -0.27 0.09 0.00 0.39 -1.08 0.00 0.00 179.45 178.58 1i41 n GLU 100 N -4.44 2.75 -3.34 3.15 1.02 0.22 -4.93 120.64 115.07 1i41 n GLU 100 Ca 0.07 -1.90 -0.18 0.00 -0.02 0.00 0.00 57.16 55.13 1i41 n GLU 100 Cb 0.43 -1.65 0.06 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.72 -6.16 -0.00 3.49 4.01 0.34 -4.92 118.16 115.63 1i41 n LYS 101 Ca 0.17 0.65 0.02 0.00 -0.51 0.00 0.00 58.31 58.65 1i41 n LYS 101 Cb 0.61 -5.16 -0.03 0.00 -0.51 0.00 0.00 35.03 29.94 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 -3.98 4.04 -4.33 1.97 1.74 0.08 -5.00 116.66 111.18 1i41 n ARG 102 Ca -0.02 -0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.88 1i41 n ARG 102 Cb 0.56 -0.82 -0.10 0.00 -1.02 0.00 0.00 32.46 31.07 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 -1.67 1.43 -0.10 5.56 3.52 -1.23 -4.85 118.95 121.60 1i41 s ARG 103 Ca 0.01 -1.77 0.04 0.00 -0.13 0.00 0.00 55.73 53.88 1i41 s ARG 103 Cb 0.03 -0.37 -0.00 0.00 -1.56 0.00 0.00 34.95 33.05 1i41 s ARG 103 CO 0.19 -0.26 -0.23 0.00 -0.81 0.00 0.00 175.30 174.19 1i41 s ALA 104 N -3.67 2.21 -0.15 6.12 0.00 -1.26 -4.57 121.76 120.44 1i41 s ALA 104 Ca 0.36 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1i41 s ALA 104 Cb 0.08 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 22.44 1i41 s ALA 104 CO 0.13 0.29 0.80 0.45 0.00 0.00 0.00 175.76 177.43 1i41 s SER 105 N 0.34 -0.59 0.27 0.00 0.15 -1.26 -5.02 113.70 107.58 1i41 s SER 105 Ca -0.18 0.82 0.24 0.00 0.70 0.00 0.00 55.95 57.53 1i41 s SER 105 Cb -0.18 0.72 0.45 0.00 -1.71 0.00 0.00 66.02 65.31 1i41 s SER 105 CO 0.09 -0.42 1.53 -0.26 1.20 0.00 0.00 173.24 175.38 1i41 h PHE 106 N 3.46 0.00 0.00 3.44 0.04 -1.94 -3.47 116.94 118.47 1i41 h PHE 106 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1i41 h PHE 106 Cb 1.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1i41 h PHE 106 CO 0.36 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 176.16 1i41 n GLU 107 N -2.56 0.00 -4.25 1.51 2.13 -1.26 -4.42 120.64 111.79 1i41 n GLU 107 Ca 0.04 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.58 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 2.72 0.46 4.31 5.04 -1.26 -1.27 117.35 127.35 1i41 s TYR 108 Ca 0.00 -0.18 0.15 0.00 -2.44 0.00 0.00 57.07 54.60 1i41 s TYR 108 Cb 0.00 -1.35 1.05 0.00 0.35 0.00 0.00 41.96 42.02 1i41 s TYR 108 CO 0.00 0.49 2.02 0.78 -1.34 0.00 0.00 175.55 177.50 1i41 h GLY 109 N 3.02 0.00 2.00 8.97 0.00 -1.63 -1.95 103.07 113.49 1i41 h GLY 109 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1i41 h GLY 109 CO 0.55 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.96 1i41 n ARG 110 N -4.33 0.05 -0.01 4.80 0.63 -1.26 -2.64 116.66 113.90 1i41 n ARG 110 Ca -0.03 0.28 0.09 0.00 -0.92 0.00 0.00 57.85 57.27 1i41 n ARG 110 Cb 0.22 -1.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.42 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 -1.67 0.00 0.00 -0.14 4.01 -0.74 -4.72 117.16 113.90 1i41 n TYR 111 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1i41 n TYR 111 Cb 0.19 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 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 1.46 -0.01 3.61 2.72 0.00 -1.08 -5.00 105.19 106.89 1i41 n GLY 112 Ca -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.56 0.53 1.61 3.84 -1.26 -4.43 114.94 114.67 1i41 s ASN 113 Ca 0.00 0.88 0.26 0.00 0.21 0.00 0.00 52.86 54.21 1i41 s ASN 113 Cb 0.00 1.30 1.41 0.00 -0.55 0.00 0.00 41.25 43.42 1i41 s ASN 113 CO 0.00 -0.14 1.98 1.55 -2.79 0.00 0.00 177.10 177.70 1i41 h PRO 114 N 6.36 0.00 -0.00 0.43 0.13 -1.96 0.54 132.00 137.50 1i41 h PRO 114 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1i41 h PRO 114 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1i41 h PRO 114 CO 0.18 0.00 -0.36 -2.37 -0.23 0.00 0.00 178.00 175.22 1i41 n THR 115 N -4.35 0.00 -0.10 1.56 5.66 -1.26 -3.97 114.28 111.82 1i41 n THR 115 Ca 0.11 -0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.88 1i41 n THR 115 Cb 0.66 0.04 -0.12 0.00 -1.55 0.00 0.00 70.33 69.37 1i41 n THR 115 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i41 n THR 116 N -1.50 1.57 -0.32 1.09 -1.04 0.08 -4.35 114.28 109.80 1i41 n THR 116 Ca 0.06 -0.44 0.18 0.00 -2.04 0.00 0.00 64.05 61.82 1i41 n THR 116 Cb 0.34 -1.73 0.44 0.00 -1.82 0.00 0.00 70.33 67.56 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 -0.47 0.61 0.16 12.58 -1.51 -1.42 -0.84 116.25 125.37 1i41 h VAL 117 Ca -0.55 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1i41 h VAL 117 Cb 1.74 0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 30.90 1i41 h VAL 117 CO -0.18 0.10 -0.38 0.58 -1.23 0.00 0.00 177.57 176.45 1i41 h VAL 118 N 0.53 0.00 -0.93 7.19 2.07 -1.76 0.19 116.25 123.54 1i41 h VAL 118 Ca 0.57 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.29 1i41 h VAL 118 Cb 1.23 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 1i41 h VAL 118 CO -0.32 0.00 0.50 0.25 0.02 0.00 0.00 177.57 178.02 1i41 h LEU 119 N -0.60 0.56 0.34 2.57 5.85 -1.45 0.19 115.31 122.77 1i41 h LEU 119 Ca -0.02 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1i41 h LEU 119 Cb 0.57 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1i41 h LEU 119 CO -0.17 0.14 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.30 1i41 h GLU 120 N 0.58 -0.80 -0.76 1.25 5.08 0.26 -1.42 114.58 118.77 1i41 h GLU 120 Ca 0.56 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1i41 h GLU 120 Cb 0.96 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1i41 h GLU 120 CO -0.44 -0.53 0.46 0.93 -1.00 0.00 0.00 179.01 178.43 1i41 h GLU 121 N -0.83 1.02 -0.04 2.33 5.08 0.60 -0.02 114.58 122.72 1i41 h GLU 121 Ca -0.03 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1i41 h GLU 121 Cb 0.76 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1i41 h GLU 121 CO -0.13 0.71 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.97 1i41 h LYS 122 N 1.03 -0.52 -0.77 2.33 3.64 -0.37 0.42 116.57 122.34 1i41 h LYS 122 Ca 0.27 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1i41 h LYS 122 Cb -0.05 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1i41 h LYS 122 CO -0.05 -0.34 0.45 0.82 -2.27 0.00 0.00 179.45 178.05 1i41 h ILE 123 N -0.54 1.22 -0.34 2.00 2.04 -1.07 -1.07 117.51 119.77 1i41 h ILE 123 Ca 0.06 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1i41 h ILE 123 Cb 0.63 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1i41 h ILE 123 CO -0.33 0.24 -0.12 0.28 0.00 0.00 0.00 178.15 178.22 1i41 h SER 124 N 1.06 -0.42 -0.43 1.72 0.02 0.23 -0.70 113.55 115.04 1i41 h SER 124 Ca 0.27 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.38 1i41 h SER 124 Cb -0.00 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1i41 h SER 124 CO -0.05 -0.15 0.21 0.00 -1.14 0.00 0.00 176.83 175.70 1i41 h ALA 125 N 1.26 0.53 0.61 3.77 0.00 0.47 0.38 119.26 126.28 1i41 h ALA 125 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1i41 h ALA 125 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i41 h ALA 125 CO -0.38 -0.16 -0.49 -0.07 0.00 0.00 0.00 179.25 178.16 1i41 h LEU 126 N 0.41 -1.30 0.00 0.00 3.38 -0.20 -1.58 115.31 116.02 1i41 h LEU 126 Ca 0.19 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1i41 h LEU 126 Cb 0.10 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1i41 h LEU 126 CO -0.14 -0.69 0.00 -0.62 0.09 0.00 0.00 178.44 177.08 1i41 n GLU 127 N -5.58 0.73 -3.09 1.13 -0.58 -0.37 -4.86 120.64 108.02 1i41 n GLU 127 Ca -0.13 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.38 1i41 n GLU 127 Cb 0.47 -1.43 0.04 0.00 -0.57 0.00 0.00 31.44 29.95 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 0.42 -0.53 3.96 0.62 0.00 0.08 -4.75 105.19 105.00 1i41 n GLY 128 Ca 0.15 0.14 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.19 3.13 -0.05 4.61 0.00 0.11 -4.99 121.76 121.38 1i41 s ALA 129 Ca 0.34 -1.44 0.06 0.00 0.00 0.00 0.00 51.96 50.92 1i41 s ALA 129 Cb -0.15 -2.35 -0.24 0.00 0.00 0.00 0.00 23.12 20.38 1i41 s ALA 129 CO 0.42 -1.77 0.63 1.49 0.00 0.00 0.00 175.76 176.52 1i41 h GLU 130 N -0.92 0.09 -2.05 0.00 4.81 -1.69 -3.43 114.58 111.38 1i41 h GLU 130 Ca -0.40 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1i41 h GLU 130 Cb 1.26 0.05 -0.19 0.00 0.63 0.00 0.00 28.75 30.51 1i41 h GLU 130 CO 0.42 0.74 0.34 0.45 -0.73 0.00 0.00 179.01 180.22 1i41 s SER 131 N -6.42 -0.52 0.06 1.04 0.15 -0.81 -4.82 113.70 102.38 1i41 s SER 131 Ca -0.09 0.43 0.05 0.00 0.70 0.00 0.00 55.95 57.04 1i41 s SER 131 Cb 0.08 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1i41 s SER 131 CO 0.81 -0.58 -0.14 -0.89 1.20 0.00 0.00 173.24 173.64 1i41 s THR 132 N -1.77 1.09 0.02 6.45 2.01 -1.26 -1.69 115.64 120.49 1i41 s THR 132 Ca -0.05 -1.18 0.08 0.00 0.31 0.00 0.00 61.69 60.86 1i41 s THR 132 Cb -0.00 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1i41 s THR 132 CO 0.02 -0.15 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.33 1i41 s LEU 133 N -1.51 2.12 -0.19 4.42 2.96 0.15 -4.86 118.68 121.77 1i41 s LEU 133 Ca -0.01 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1i41 s LEU 133 Cb -0.09 -1.24 0.03 0.00 0.50 0.00 0.00 46.19 45.39 1i41 s LEU 133 CO 0.02 0.26 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.39 1i41 s LEU 134 N -0.99 2.35 0.00 -0.68 1.43 -1.26 -0.58 118.68 118.94 1i41 s LEU 134 Ca 0.10 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1i41 s LEU 134 Cb -0.10 -1.43 0.06 0.00 0.03 0.00 0.00 46.19 44.75 1i41 s LEU 134 CO 0.01 -0.06 0.43 0.23 0.23 0.00 0.00 176.35 177.19 1i41 n MET 135 N 4.61 0.56 0.15 1.70 2.81 -1.09 -4.25 117.12 121.61 1i41 n MET 135 Ca -0.18 -1.43 0.06 0.00 -1.81 0.00 0.00 57.70 54.33 1i41 n MET 135 Cb 0.48 -0.21 0.05 0.00 -0.71 0.00 0.00 33.22 32.83 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 -0.07 0.75 -1.97 3.04 0.00 -1.06 -2.98 119.26 116.97 1i41 h ALA 136 Ca -0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1i41 h ALA 136 Cb 0.60 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.19 1i41 h ALA 136 CO 0.18 0.43 0.21 -1.54 0.00 0.00 0.00 179.25 178.53 1i41 s SER 137 N -6.21 -0.65 0.17 0.00 1.04 -1.26 -3.15 113.70 103.63 1i41 s SER 137 Ca 0.04 0.81 -0.29 0.00 0.48 0.00 0.00 55.95 56.99 1i41 s SER 137 Cb 0.07 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 1i41 s SER 137 CO 0.74 -0.53 1.54 1.23 0.98 0.00 0.00 173.24 177.20 1i41 h GLY 138 N 3.29 -0.69 -0.61 7.32 0.00 -1.84 0.29 103.07 110.83 1i41 h GLY 138 Ca -0.27 0.73 0.21 0.00 0.00 0.00 0.00 47.33 48.00 1i41 h GLY 138 CO 0.33 -0.03 0.00 -0.33 0.00 0.00 0.00 176.54 176.52 1i41 h MET 139 N -0.07 0.07 -0.17 4.80 2.86 -1.93 0.12 114.93 120.61 1i41 h MET 139 Ca 0.18 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1i41 h MET 139 Cb 0.47 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.05 1i41 h MET 139 CO -0.89 0.05 -0.38 0.00 1.06 0.00 0.00 176.91 176.75 1i41 n ALA 141 N -2.92 -0.11 -0.28 0.00 0.00 0.39 0.50 120.51 118.09 1i41 n ALA 141 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 1i41 n ALA 141 Cb 0.35 0.35 0.06 0.00 0.00 0.00 0.00 19.45 20.21 1i41 n ALA 141 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1i41 h SER 142 N 0.00 -1.00 -0.13 0.00 4.64 -1.27 0.19 113.55 115.98 1i41 h SER 142 Ca 0.00 0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.59 1i41 h SER 142 Cb 0.00 0.57 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 1i41 h SER 142 CO 0.00 -0.28 -0.24 0.74 -0.87 0.00 0.00 176.83 176.18 1i41 h THR 143 N -0.05 0.00 -0.03 2.95 2.02 0.90 -0.78 112.91 117.93 1i41 h THR 143 Ca 0.34 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.55 1i41 h THR 143 Cb 0.58 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 1i41 h THR 143 CO -0.82 0.00 -0.30 0.58 0.37 0.00 0.00 175.52 175.35 1i41 h VAL 144 N -0.20 0.34 -0.73 3.16 2.07 0.11 -1.84 116.25 119.16 1i41 h VAL 144 Ca 0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 1i41 h VAL 144 Cb 0.27 0.34 -0.13 0.00 -1.52 0.00 0.00 31.29 30.25 1i41 h VAL 144 CO -0.23 0.00 -0.32 -0.03 0.02 0.00 0.00 177.57 177.01 1i41 h MET 145 N -0.43 -0.09 0.35 1.57 4.05 -0.30 0.73 114.93 120.81 1i41 h MET 145 Ca 0.07 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1i41 h MET 145 Cb 0.53 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1i41 h MET 145 CO -0.27 -0.06 -0.17 -0.07 0.23 0.00 0.00 176.91 176.58 1i41 h LEU 146 N -0.09 -0.40 -2.23 3.39 3.38 -0.89 0.70 115.31 119.18 1i41 h LEU 146 Ca 0.29 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1i41 h LEU 146 Cb 0.57 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1i41 h LEU 146 CO -0.78 -0.21 0.19 -0.07 0.09 0.00 0.00 178.44 177.65 1i41 h LEU 147 N -0.55 0.00 0.06 1.67 3.38 -0.37 -1.34 115.31 118.16 1i41 h LEU 147 Ca -0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1i41 h LEU 147 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1i41 h LEU 147 CO 0.08 0.00 -0.80 0.00 0.09 0.00 0.00 178.44 177.81 1i41 h ALA 148 N 1.79 0.08 0.13 1.53 0.00 0.11 -3.42 119.26 119.48 1i41 h ALA 148 Ca 0.08 -0.84 -0.33 0.00 0.00 0.00 0.00 54.91 53.82 1i41 h ALA 148 Cb 0.45 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1i41 h ALA 148 CO -0.00 0.44 -1.75 -0.07 0.00 0.00 0.00 179.25 177.87 1i41 h LEU 149 N -0.69 0.43 -8.87 0.00 3.38 -0.68 -3.45 115.31 105.42 1i41 h LEU 149 Ca -0.18 -0.90 -0.57 0.00 0.09 0.00 0.00 57.88 56.33 1i41 h LEU 149 Cb 1.39 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1i41 h LEU 149 CO 0.00 1.76 1.05 -0.69 0.09 0.00 0.00 178.44 180.65 1i41 s VAL 150 N -2.53 3.95 1.01 1.22 1.01 -0.52 -5.00 120.40 119.54 1i41 s VAL 150 Ca -0.21 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1i41 s VAL 150 Cb 0.06 -4.12 0.20 0.00 0.00 0.00 0.00 36.38 32.51 1i41 s VAL 150 CO 0.78 -0.61 1.08 -2.84 0.00 0.00 0.00 175.10 173.51 1i41 s PRO 151 N 4.67 0.31 0.26 2.72 0.02 -1.26 -4.80 135.00 136.93 1i41 s PRO 151 Ca 0.61 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.15 1i41 s PRO 151 Cb -0.16 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1i41 s PRO 151 CO 0.29 -2.89 1.38 0.00 -0.33 0.00 0.00 177.00 175.46 1i41 s ALA 152 N -2.77 3.57 0.00 -1.55 0.00 -1.26 -2.02 121.76 117.74 1i41 s ALA 152 Ca 0.66 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1i41 s ALA 152 Cb -0.21 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1i41 s ALA 152 CO 0.60 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1i41 n GLY 153 N 1.83 1.49 3.53 0.00 0.00 0.91 -4.96 105.19 107.99 1i41 n GLY 153 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1i41 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 154 N -2.00 1.53 0.10 -0.02 0.00 -0.86 -4.59 107.32 101.49 1i41 s GLY 154 Ca 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 44.72 44.36 1i41 s GLY 154 CO 0.00 0.31 -0.25 -1.58 0.00 0.00 0.00 173.10 171.58 1i41 s HIS 155 N -2.68 2.37 0.05 1.90 5.65 -1.26 -2.01 115.29 119.31 1i41 s HIS 155 Ca 0.68 -0.36 0.03 0.00 0.25 0.00 0.00 55.06 55.65 1i41 s HIS 155 Cb -0.19 -1.32 -0.03 0.00 -1.18 0.00 0.00 32.58 29.87 1i41 s HIS 155 CO 0.60 0.28 -0.09 -1.50 -0.65 0.00 0.00 174.74 173.39 1i41 s ILE 156 N -1.00 0.66 -0.16 0.89 2.07 -0.40 -0.74 121.20 122.52 1i41 s ILE 156 Ca 0.14 -1.22 0.00 0.00 -1.41 0.00 0.00 60.65 58.17 1i41 s ILE 156 Cb -0.10 -0.81 0.03 0.00 0.13 0.00 0.00 42.46 41.71 1i41 s ILE 156 CO 0.06 -0.41 -0.13 -0.69 -1.91 0.00 0.00 174.94 171.85 1i41 s VAL 157 N -1.62 1.58 0.36 4.00 1.01 -0.89 -1.07 120.40 123.76 1i41 s VAL 157 Ca -0.06 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1i41 s VAL 157 Cb -0.08 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 1i41 s VAL 157 CO 0.00 0.38 0.06 0.42 0.00 0.00 0.00 175.10 175.96 1i41 s THR 158 N 1.47 1.26 0.73 3.92 -4.23 -0.82 -0.51 115.64 117.46 1i41 s THR 158 Ca 0.03 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1i41 s THR 158 Cb -0.14 -2.75 0.11 0.00 1.34 0.00 0.00 72.50 71.06 1i41 s THR 158 CO -0.10 0.00 1.02 0.42 -0.54 0.00 0.00 174.62 175.42 1i41 s THR 159 N -3.17 2.23 0.02 3.99 -4.23 -1.25 -0.77 115.64 112.47 1i41 s THR 159 Ca 0.33 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 1i41 s THR 159 Cb 0.08 -2.83 -0.25 0.00 1.34 0.00 0.00 72.50 70.84 1i41 s THR 159 CO 0.15 0.00 0.93 0.71 -0.54 0.00 0.00 174.62 175.87 1i41 h THR 160 N -0.65 1.24 -0.56 3.99 1.35 -1.24 -3.37 112.91 113.66 1i41 h THR 160 Ca -0.41 -2.93 -0.45 0.00 -0.55 0.00 0.00 66.41 62.07 1i41 h THR 160 Cb 1.28 2.73 -0.10 0.00 -1.73 0.00 0.00 68.15 70.33 1i41 h THR 160 CO 0.48 0.80 0.86 0.47 -0.25 0.00 0.00 175.52 177.88 1i41 n ASP 161 N -3.37 6.57 -4.89 5.36 9.92 -1.26 -4.94 116.55 123.94 1i41 n ASP 161 Ca -0.12 -2.86 -0.29 0.00 -0.53 0.00 0.00 54.79 50.99 1i41 n ASP 161 Cb 1.02 -1.36 0.02 0.00 -0.64 0.00 0.00 41.12 40.16 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 -3.05 3.52 0.00 0.00 5.04 -1.26 -4.85 117.35 116.75 1i41 s TYR 163 Ca 0.53 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.62 1i41 s TYR 163 Cb -0.11 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 38.90 1i41 s TYR 163 CO 0.49 -0.79 0.01 -2.13 -1.34 0.00 0.00 175.55 171.79 1i41 n ARG 164 N 3.90 0.00 -0.21 4.97 3.00 -1.26 -0.47 116.66 126.60 1i41 n ARG 164 Ca 0.08 0.01 0.02 0.00 -0.00 0.00 0.00 57.85 57.96 1i41 n ARG 164 Cb 0.48 -0.02 0.12 0.00 0.00 0.00 0.00 32.46 33.04 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 0.25 -0.61 -0.14 6.56 -1.97 0.17 116.57 120.83 1i41 h LYS 165 Ca 0.00 -0.02 0.13 0.00 -1.06 0.00 0.00 60.65 59.71 1i41 h LYS 165 Cb 0.00 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.57 1i41 h LYS 165 CO 0.00 0.17 0.42 1.15 -2.06 0.00 0.00 179.45 179.12 1i41 h THR 166 N 0.26 0.80 0.32 -0.16 2.02 -1.16 -0.82 112.91 114.18 1i41 h THR 166 Ca 0.33 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 1i41 h THR 166 Cb 0.51 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1i41 h THR 166 CO -0.43 0.04 -0.16 -0.09 0.37 0.00 0.00 175.52 175.26 1i41 h ARG 167 N 0.24 -0.42 -0.98 6.66 9.65 0.11 -3.16 114.38 126.48 1i41 h ARG 167 Ca 0.29 0.03 0.15 0.00 -1.10 0.00 0.00 59.98 59.35 1i41 h ARG 167 Cb 0.82 0.10 -0.16 0.00 -1.39 0.00 0.00 29.97 29.33 1i41 h ARG 167 CO -0.06 -0.28 -0.39 0.82 2.80 0.00 0.00 179.97 182.86 1i41 h ILE 168 N -0.56 0.01 -0.35 1.20 2.04 -0.69 -0.49 117.51 118.67 1i41 h ILE 168 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1i41 h ILE 168 Cb 0.33 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 1i41 h ILE 168 CO 0.07 0.00 -0.48 0.15 0.00 0.00 0.00 178.15 177.89 1i41 h PHE 169 N -0.01 -1.48 -0.11 1.37 3.57 -1.27 0.44 116.94 119.45 1i41 h PHE 169 Ca 0.34 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.94 1i41 h PHE 169 Cb 0.59 0.69 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1i41 h PHE 169 CO -0.87 -0.43 0.13 0.82 -2.23 0.00 0.00 178.31 175.73 1i41 h ILE 170 N -0.35 0.46 0.00 1.41 2.04 -1.10 0.89 117.51 120.86 1i41 h ILE 170 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1i41 h ILE 170 Cb 0.52 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1i41 h ILE 170 CO -0.51 0.00 -1.33 -0.62 0.00 0.00 0.00 178.15 175.69 1i41 n GLU 171 N -3.77 0.41 0.00 2.37 1.02 0.31 -4.35 120.64 116.62 1i41 n GLU 171 Ca -0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1i41 n GLU 171 Cb 0.23 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1i41 n GLU 171 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i41 n THR 172 N -2.08 0.00 -0.02 2.62 -2.24 0.13 -4.76 114.28 107.92 1i41 n THR 172 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1i41 n THR 172 Cb 0.48 -0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.03 2.28 1.08 -0.98 -3.40 117.51 115.46 1i41 h ILE 173 Ca 0.00 -0.30 0.40 0.00 -0.39 0.00 0.00 64.86 64.57 1i41 h ILE 173 Cb 0.95 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.53 1i41 h ILE 173 CO 0.00 0.00 0.57 -0.07 -0.69 0.00 0.00 178.15 177.96 1i41 h LEU 174 N -0.30 0.35 -2.23 1.44 3.38 -1.74 1.11 115.31 117.32 1i41 h LEU 174 Ca 0.00 0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1i41 h LEU 174 Cb 0.13 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1i41 h LEU 174 CO 0.00 -0.36 0.15 1.55 0.09 0.00 0.00 178.44 179.87 1i41 h PRO 175 N 0.07 0.00 0.00 1.13 0.13 -1.75 0.27 132.00 131.84 1i41 h PRO 175 Ca 0.83 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.95 1i41 h PRO 175 Cb 2.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 33.31 1i41 h PRO 175 CO -0.71 0.00 -0.05 0.87 -0.23 0.00 0.00 178.00 177.88 1i41 h LYS 176 N 0.00 0.00 -0.64 0.86 1.57 0.11 0.77 116.57 119.24 1i41 h LYS 176 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1i41 h LYS 176 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1i41 h LYS 176 CO -0.00 0.05 0.00 -1.33 -0.57 0.00 0.00 179.45 177.60 1i41 n MET 177 N -3.93 2.99 -1.45 3.15 2.81 0.84 -4.88 117.12 116.65 1i41 n MET 177 Ca -0.03 -2.38 -0.13 0.00 -1.81 0.00 0.00 57.70 53.36 1i41 n MET 177 Cb 0.14 -1.68 -0.05 0.00 -0.71 0.00 0.00 33.22 30.92 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 1.22 1.20 3.59 3.03 0.00 0.27 -0.06 105.19 114.44 1i41 n GLY 178 Ca 0.22 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.48 4.64 0.18 -0.61 1.01 -0.54 -3.47 121.20 119.94 1i41 s ILE 179 Ca 0.00 0.96 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 1i41 s ILE 179 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1i41 s ILE 179 CO 0.00 -0.53 0.40 0.28 0.00 0.00 0.00 174.94 175.09 1i41 s THR 180 N 3.32 5.17 0.08 2.92 -1.32 -0.85 -3.53 115.64 121.43 1i41 s THR 180 Ca 0.34 -0.14 0.02 0.00 -1.21 0.00 0.00 61.69 60.70 1i41 s THR 180 Cb -0.12 -3.68 -0.04 0.00 -1.51 0.00 0.00 72.50 67.15 1i41 s THR 180 CO 0.19 -0.10 -0.07 0.00 -2.21 0.00 0.00 174.62 172.43 1i41 s ALA 181 N -1.80 0.85 -0.18 11.08 0.00 -1.26 -1.27 121.76 129.18 1i41 s ALA 181 Ca 0.40 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1i41 s ALA 181 Cb -0.11 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1i41 s ALA 181 CO 0.27 -0.16 -0.17 0.99 0.00 0.00 0.00 175.76 176.69 1i41 s THR 182 N -2.86 1.91 -0.39 0.00 2.01 -0.23 -4.95 115.64 111.12 1i41 s THR 182 Ca 0.04 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 1i41 s THR 182 Cb 0.00 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.75 1i41 s THR 182 CO -0.03 0.46 0.42 -0.69 -0.69 0.00 0.00 174.62 174.09 1i41 s VAL 183 N 1.34 5.10 0.35 3.82 1.01 -1.26 -1.95 120.40 128.82 1i41 s VAL 183 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1i41 s VAL 183 Cb -0.14 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1i41 s VAL 183 CO -0.12 -0.30 0.14 0.27 0.00 0.00 0.00 175.10 175.09 1i41 s ILE 184 N 2.13 2.87 0.15 2.22 -4.36 0.05 -4.85 121.20 119.41 1i41 s ILE 184 Ca 0.13 -1.72 -0.27 0.00 -0.26 0.00 0.00 60.65 58.53 1i41 s ILE 184 Cb -0.17 -2.96 -0.07 0.00 1.25 0.00 0.00 42.46 40.51 1i41 s ILE 184 CO 0.13 -0.16 0.83 -0.62 0.24 0.00 0.00 174.94 175.36 1i41 s ASP 185 N -3.85 7.41 0.28 4.36 2.15 -1.26 -0.71 116.67 125.06 1i41 s ASP 185 Ca 0.38 1.68 -0.07 0.00 0.43 0.00 0.00 52.55 54.97 1i41 s ASP 185 Cb -0.01 -2.52 0.49 0.00 -0.30 0.00 0.00 42.92 40.57 1i41 s ASP 185 CO 0.22 0.12 1.54 -2.65 -0.17 0.00 0.00 175.17 174.24 1i41 n PRO 186 N 2.00 -0.09 0.01 4.34 -0.02 -1.26 -1.69 135.00 138.29 1i41 n PRO 186 Ca -0.03 1.53 -0.12 0.00 -2.02 0.00 0.00 63.50 62.86 1i41 n PRO 186 Cb 0.49 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 1i41 n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i41 h ALA 187 N 1.97 -0.11 -0.01 3.55 0.00 -1.93 -3.43 119.26 119.31 1i41 h ALA 187 Ca 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1i41 h ALA 187 Cb 0.78 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1i41 h ALA 187 CO -1.00 -0.24 0.84 -3.47 0.00 0.00 0.00 179.25 175.37 1i41 n ASP 188 N -4.85 -1.50 0.11 0.00 -0.08 -0.68 -4.62 116.55 104.92 1i41 n ASP 188 Ca -0.08 -1.35 0.00 0.00 -1.51 0.00 0.00 54.79 51.85 1i41 n ASP 188 Cb 0.29 -0.58 0.31 0.00 2.34 0.00 0.00 41.12 43.48 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 6.57 1.25 0.23 5.18 2.07 -1.82 -3.11 116.25 126.62 1i41 h VAL 189 Ca 0.01 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1i41 h VAL 189 Cb 0.90 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1i41 h VAL 189 CO 0.93 0.36 -0.45 1.23 0.02 0.00 0.00 177.57 179.66 1i41 h GLY 190 N 1.02 -0.98 -0.00 2.17 0.00 -1.96 -0.56 103.07 102.76 1i41 h GLY 190 Ca 0.03 0.53 0.18 0.00 0.00 0.00 0.00 47.33 48.06 1i41 h GLY 190 CO 0.05 -0.30 0.36 0.00 0.00 0.00 0.00 176.54 176.65 1i41 h ALA 191 N -0.39 1.26 0.45 3.60 0.00 -1.94 0.14 119.26 122.39 1i41 h ALA 191 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1i41 h ALA 191 Cb 0.73 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1i41 h ALA 191 CO -0.19 -0.25 -0.30 1.25 0.00 0.00 0.00 179.25 179.77 1i41 h LEU 192 N 0.45 -0.76 -0.96 0.00 5.85 -1.31 0.19 115.31 118.78 1i41 h LEU 192 Ca 0.49 0.05 0.27 0.00 0.84 0.00 0.00 57.88 59.52 1i41 h LEU 192 Cb 0.82 0.23 -0.14 0.00 0.37 0.00 0.00 40.66 41.94 1i41 h LEU 192 CO -0.46 -0.44 0.48 -0.08 -0.34 0.00 0.00 178.44 177.60 1i41 h GLU 193 N -0.70 0.37 0.64 1.25 4.81 -0.32 0.25 114.58 120.88 1i41 h GLU 193 Ca -0.06 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1i41 h GLU 193 Cb 0.57 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.87 1i41 h GLU 193 CO 0.05 0.25 -0.31 1.25 -0.73 0.00 0.00 179.01 179.52 1i41 h LEU 194 N 0.39 -0.72 -0.98 1.64 5.85 -0.27 -2.77 115.31 118.44 1i41 h LEU 194 Ca 0.64 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.61 1i41 h LEU 194 Cb 1.33 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 42.43 1i41 h LEU 194 CO -0.57 -0.47 0.56 0.00 -0.34 0.00 0.00 178.44 177.62 1i41 h ALA 195 N -1.52 1.69 -0.91 1.25 0.00 0.30 0.45 119.26 120.53 1i41 h ALA 195 Ca -0.09 0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1i41 h ALA 195 Cb 0.65 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1i41 h ALA 195 CO 0.14 -0.23 0.46 -0.07 0.00 0.00 0.00 179.25 179.56 1i41 h LEU 196 N 0.59 0.51 0.13 0.00 -0.00 -0.37 -1.75 115.31 114.42 1i41 h LEU 196 Ca 0.61 0.12 -0.34 0.00 -0.00 0.00 0.00 57.88 58.27 1i41 h LEU 196 Cb 1.11 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 1i41 h LEU 196 CO -0.46 0.13 -1.82 0.78 -0.00 0.00 0.00 178.44 177.07 1i41 h ASN 197 N 0.55 0.43 0.00 -0.43 2.35 0.01 -3.41 115.58 115.08 1i41 h ASN 197 Ca 0.54 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1i41 h ASN 197 Cb 0.91 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1i41 h ASN 197 CO -0.44 1.68 0.00 0.00 -1.65 0.00 0.00 177.43 177.02 1i41 n GLN 198 N -3.46 0.00 -2.99 0.81 6.02 0.66 -4.82 117.38 113.59 1i41 n GLN 198 Ca -0.26 0.55 -0.20 0.00 -0.01 0.00 0.00 57.00 57.09 1i41 n GLN 198 Cb 1.06 -1.44 0.06 0.00 1.02 0.00 0.00 30.24 30.94 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 -2.78 2.27 -0.92 -1.09 3.01 -0.70 -5.05 119.74 114.48 1i41 s LYS 199 Ca 0.00 -1.58 -0.12 0.00 -1.01 0.00 0.00 55.97 53.27 1i41 s LYS 199 Cb 0.00 -2.63 0.24 0.00 -1.01 0.00 0.00 37.83 34.43 1i41 s LYS 199 CO 0.00 -0.89 0.87 0.21 0.51 0.00 0.00 175.35 176.05 1i41 s LYS 200 N -4.69 3.76 0.06 1.68 2.36 -1.26 -4.60 119.74 117.04 1i41 s LYS 200 Ca 0.62 -2.74 -0.31 0.00 -2.55 0.00 0.00 55.97 51.00 1i41 s LYS 200 Cb -0.06 -4.44 -0.08 0.00 -1.05 0.00 0.00 37.83 32.21 1i41 s LYS 200 CO 0.39 -1.27 1.58 0.08 1.55 0.00 0.00 175.35 177.68 1i41 s VAL 201 N -0.35 3.20 -0.08 4.02 1.01 -1.26 -4.23 120.40 122.71 1i41 s VAL 201 Ca 0.22 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 1i41 s VAL 201 Cb -0.10 -3.42 -0.29 0.00 0.00 0.00 0.00 36.38 32.57 1i41 s VAL 201 CO -0.09 0.00 0.70 0.78 0.00 0.00 0.00 175.10 176.49 1i41 h ASN 202 N 8.12 0.44 -3.61 3.32 -0.26 -1.28 -3.36 115.58 118.95 1i41 h ASN 202 Ca -0.41 -0.89 -0.05 0.00 -0.56 0.00 0.00 56.30 54.39 1i41 h ASN 202 Cb 1.20 -0.14 -0.22 0.00 -1.06 0.00 0.00 38.32 38.09 1i41 h ASN 202 CO 0.92 1.55 -0.02 -0.22 -1.06 0.00 0.00 177.43 178.61 1i41 s LEU 203 N -7.66 -0.52 -0.21 1.61 0.20 -1.24 -1.90 118.68 108.96 1i41 s LEU 203 Ca -0.17 1.29 -0.10 0.00 0.69 0.00 0.00 54.13 55.84 1i41 s LEU 203 Cb 0.03 2.12 -0.05 0.00 -0.43 0.00 0.00 46.19 47.87 1i41 s LEU 203 CO 0.80 -0.22 0.13 0.12 -0.29 0.00 0.00 176.35 176.89 1i41 s PHE 204 N 0.82 3.34 -0.02 5.38 5.36 0.56 -2.09 117.98 131.34 1i41 s PHE 204 Ca -0.04 0.24 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 1i41 s PHE 204 Cb -0.05 -2.19 -0.00 0.00 -0.34 0.00 0.00 43.02 40.43 1i41 s PHE 204 CO -0.07 0.17 -0.12 0.12 -1.46 0.00 0.00 175.22 173.87 1i41 s PHE 205 N 0.65 1.12 -0.13 10.12 5.36 0.33 -0.38 117.98 135.06 1i41 s PHE 205 Ca 0.07 -0.25 -0.31 0.00 -0.96 0.00 0.00 56.93 55.48 1i41 s PHE 205 Cb -0.12 -0.75 0.13 0.00 -0.34 0.00 0.00 43.02 41.93 1i41 s PHE 205 CO 0.01 -0.07 1.05 -0.08 -1.46 0.00 0.00 175.22 174.68 1i41 s THR 206 N -0.08 0.00 -0.10 0.12 -1.32 -0.64 -3.76 115.64 109.86 1i41 s THR 206 Ca 0.01 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.44 1i41 s THR 206 Cb -0.07 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 1i41 s THR 206 CO 0.00 0.00 0.09 -1.83 -2.21 0.00 0.00 174.62 170.67 1i41 s GLU 207 N -2.20 3.27 -0.20 7.08 -1.05 -1.26 -1.33 118.70 123.02 1i41 s GLU 207 Ca 0.05 -0.24 -0.04 0.00 -0.15 0.00 0.00 54.97 54.59 1i41 s GLU 207 Cb -0.01 -3.04 0.10 0.00 -0.44 0.00 0.00 34.13 30.74 1i41 s GLU 207 CO -0.05 0.75 0.32 0.45 0.95 0.00 0.00 175.26 177.68 1i41 s SER 208 N -1.03 0.46 0.98 0.83 0.15 -1.16 -3.53 113.70 110.41 1i41 s SER 208 Ca 0.15 0.34 -0.12 0.00 0.70 0.00 0.00 55.95 57.02 1i41 s SER 208 Cb -0.12 0.87 0.13 0.00 -1.71 0.00 0.00 66.02 65.19 1i41 s SER 208 CO 0.04 -0.28 0.81 -2.65 1.20 0.00 0.00 173.24 172.37 1i41 n PRO 209 N 5.35 -0.81 -2.66 5.44 -0.02 -1.26 -4.55 135.00 136.49 1i41 n PRO 209 Ca -0.05 -0.19 -0.23 0.00 -2.02 0.00 0.00 63.50 61.01 1i41 n PRO 209 Cb 0.50 -2.14 0.10 0.00 -0.02 0.00 0.00 33.50 31.94 1i41 n PRO 209 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i41 s THR 210 N -2.50 2.15 -0.07 3.45 -1.32 0.15 -4.69 115.64 112.81 1i41 s THR 210 Ca 0.63 -0.66 0.03 0.00 -1.21 0.00 0.00 61.69 60.48 1i41 s THR 210 Cb -0.22 -2.49 0.01 0.00 -1.51 0.00 0.00 72.50 68.29 1i41 s THR 210 CO 0.63 0.00 -0.15 0.21 -2.21 0.00 0.00 174.62 173.10 1i41 s ASN 211 N -4.72 2.02 0.00 8.08 3.04 -1.23 -2.15 114.94 119.98 1i41 s ASN 211 Ca 0.65 -0.35 0.22 0.00 0.04 0.00 0.00 52.86 53.42 1i41 s ASN 211 Cb -0.05 -0.90 0.14 0.00 -1.54 0.00 0.00 41.25 38.89 1i41 s ASN 211 CO 0.43 0.07 1.15 -0.81 -3.04 0.00 0.00 177.10 174.90 1i41 n PRO 212 N 3.70 1.89 -0.04 0.43 -0.04 -1.26 -4.52 135.00 135.17 1i41 n PRO 212 Ca -0.22 -1.62 0.01 0.00 -0.04 0.00 0.00 63.50 61.63 1i41 n PRO 212 Cb 0.52 -1.42 0.02 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.96 0.10 -3.52 0.54 3.72 -1.26 -4.60 117.46 113.40 1i41 n PHE 213 Ca 0.12 -0.04 -0.22 0.00 -0.05 0.00 0.00 57.45 57.26 1i41 n PHE 213 Cb 0.52 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.21 -0.45 -4.75 4.37 4.77 -0.91 -4.74 117.00 115.07 1i41 n LEU 214 Ca 0.02 -0.38 -0.36 0.00 -0.03 0.00 0.00 56.01 55.26 1i41 n LEU 214 Cb 0.14 -1.33 0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1i41 n LEU 214 CO 0.02 0.05 0.87 -0.13 -1.33 0.00 0.00 177.39 176.86 1i41 s ARG 215 N -6.12 3.05 0.14 3.23 1.81 -1.26 -4.16 118.95 115.64 1i41 s ARG 215 Ca 0.42 1.90 0.10 0.00 -1.72 0.00 0.00 55.73 56.43 1i41 s ARG 215 Cb -0.24 -2.02 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 1i41 s ARG 215 CO 0.51 -1.17 -0.25 0.00 -0.68 0.00 0.00 175.30 173.72 1i41 s VAL 217 N -1.27 3.36 -1.06 0.00 1.01 -1.26 -4.67 120.40 116.51 1i41 s VAL 217 Ca 0.14 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1i41 s VAL 217 Cb -0.09 -2.43 -0.13 0.00 0.00 0.00 0.00 36.38 33.73 1i41 s VAL 217 CO 0.07 0.52 1.94 -0.67 0.00 0.00 0.00 175.10 176.96 1i41 n ASP 218 N 3.35 2.71 -0.33 3.32 -0.08 -1.26 -4.78 116.55 119.48 1i41 n ASP 218 Ca -0.18 -2.66 -0.09 0.00 -1.51 0.00 0.00 54.79 50.35 1i41 n ASP 218 Cb 0.53 -1.59 -0.08 0.00 2.34 0.00 0.00 41.12 42.32 1i41 n ASP 218 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1i41 n ILE 219 N 7.63 -0.53 -0.28 5.18 5.41 -1.26 -1.01 119.36 134.50 1i41 n ILE 219 Ca 0.45 2.19 0.09 0.00 1.00 0.00 0.00 62.75 66.49 1i41 n ILE 219 Cb 0.45 -2.74 0.23 0.00 -0.71 0.00 0.00 39.64 36.87 1i41 n ILE 219 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1i41 h GLU 220 N 0.00 0.16 0.69 0.38 4.81 -1.86 0.50 114.58 119.25 1i41 h GLU 220 Ca 0.13 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1i41 h GLU 220 Cb 0.32 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.67 1i41 h GLU 220 CO -0.74 0.11 -0.33 1.25 -0.73 0.00 0.00 179.01 178.57 1i41 h LEU 221 N 0.16 -0.78 -0.31 1.64 5.85 -1.39 -2.51 115.31 117.98 1i41 h LEU 221 Ca 0.49 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.30 1i41 h LEU 221 Cb 0.92 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 1i41 h LEU 221 CO -0.66 -0.45 -0.36 0.58 -0.34 0.00 0.00 178.44 177.21 1i41 h VAL 222 N -1.14 0.21 -0.82 1.05 2.07 -0.50 -1.27 116.25 115.84 1i41 h VAL 222 Ca -0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.51 1i41 h VAL 222 Cb 0.71 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.57 1i41 h VAL 222 CO 0.16 0.00 -0.54 0.28 0.02 0.00 0.00 177.57 177.48 1i41 h SER 223 N -0.33 -1.94 -0.10 0.57 0.02 -0.08 0.73 113.55 112.42 1i41 h SER 223 Ca 0.14 0.30 0.03 0.00 -0.84 0.00 0.00 61.79 61.41 1i41 h SER 223 Cb 0.56 0.86 -0.06 0.00 0.14 0.00 0.00 62.40 63.90 1i41 h SER 223 CO -0.49 -0.29 -0.51 0.50 -1.14 0.00 0.00 176.83 174.90 1i41 h LYS 224 N -0.11 -0.55 -0.28 3.45 3.64 -0.80 0.64 116.57 122.56 1i41 h LYS 224 Ca 0.17 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1i41 h LYS 224 Cb 0.49 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1i41 h LYS 224 CO -0.84 -0.36 -0.31 -0.07 -2.27 0.00 0.00 179.45 175.60 1i41 h LEU 225 N -0.57 -0.99 -0.01 5.20 3.38 -0.28 -1.96 115.31 120.08 1i41 h LEU 225 Ca 0.03 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1i41 h LEU 225 Cb 0.65 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1i41 h LEU 225 CO -0.40 -0.32 -0.25 0.00 0.09 0.00 0.00 178.44 177.56 1i41 h HIS 227 N -0.38 0.00 0.00 0.00 3.86 -0.49 0.13 115.15 118.27 1i41 h HIS 227 Ca 0.06 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1i41 h HIS 227 Cb 0.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1i41 h HIS 227 CO -0.29 0.00 -0.17 1.49 0.86 0.00 0.00 177.93 179.82 1i41 h GLU 228 N 0.00 0.00 -0.25 2.45 4.81 -0.60 -2.81 114.58 118.19 1i41 h GLU 228 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1i41 h GLU 228 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1i41 h GLU 228 CO -0.00 0.17 0.00 1.63 -0.73 0.00 0.00 179.01 180.08 1i41 n LYS 229 N -3.48 2.76 -1.02 1.92 4.76 0.34 -4.96 118.16 118.48 1i41 n LYS 229 Ca -0.01 -2.46 -0.01 0.00 -2.87 0.00 0.00 58.31 52.96 1i41 n LYS 229 Cb 0.34 -1.56 -0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1i41 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i41 n GLY 230 N -0.26 0.40 3.84 0.72 0.00 -1.00 -4.86 105.19 104.03 1i41 n GLY 230 Ca 0.16 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.74 3.13 0.03 4.61 0.00 -0.62 -4.89 121.76 122.26 1i41 s ALA 231 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 1i41 s ALA 231 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1i41 s ALA 231 CO 0.00 0.04 0.19 -0.51 0.00 0.00 0.00 175.76 175.48 1i41 s LEU 232 N -3.49 4.34 -0.15 0.00 1.43 -0.80 -3.83 118.68 116.18 1i41 s LEU 232 Ca 0.59 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 1i41 s LEU 232 Cb -0.10 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.36 1i41 s LEU 232 CO 0.21 0.22 -0.21 -0.69 0.23 0.00 0.00 176.35 176.11 1i41 s VAL 233 N -1.41 2.11 -0.11 -1.59 1.01 -1.26 0.21 120.40 119.36 1i41 s VAL 233 Ca 0.31 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1i41 s VAL 233 Cb -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1i41 s VAL 233 CO 0.23 0.54 -0.23 0.00 0.00 0.00 0.00 175.10 175.65 1i41 s ILE 235 N 0.50 2.00 -0.97 0.00 -1.09 0.12 -1.63 121.20 120.13 1i41 s ILE 235 Ca -0.15 -0.93 -0.19 0.00 -2.23 0.00 0.00 60.65 57.15 1i41 s ILE 235 Cb -0.17 -1.79 0.12 0.00 -1.58 0.00 0.00 42.46 39.04 1i41 s ILE 235 CO 0.05 0.53 1.21 -0.62 -1.23 0.00 0.00 174.94 174.89 1i41 s ASP 236 N 1.04 6.65 -0.04 3.58 -1.08 -0.44 -2.10 116.67 124.28 1i41 s ASP 236 Ca -0.02 -2.04 0.00 0.00 -0.52 0.00 0.00 52.55 49.98 1i41 s ASP 236 Cb -0.14 -2.43 0.06 0.00 -1.46 0.00 0.00 42.92 38.95 1i41 s ASP 236 CO -0.07 -1.11 1.04 0.61 0.52 0.00 0.00 175.17 176.17 1i41 n GLY 237 N 5.59 2.17 0.36 2.66 0.00 -0.92 -2.97 105.19 112.08 1i41 n GLY 237 Ca 0.27 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.11 0.19 -0.54 2.61 2.02 -1.88 -0.63 112.91 114.79 1i41 h THR 238 Ca 0.05 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 1i41 h THR 238 Cb 1.12 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1i41 h THR 238 CO 0.09 0.00 0.14 -0.26 0.37 0.00 0.00 175.52 175.86 1i41 h PHE 239 N -0.36 0.85 0.54 3.16 0.04 -1.84 -3.29 116.94 116.04 1i41 h PHE 239 Ca 0.13 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1i41 h PHE 239 Cb 0.57 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1i41 h PHE 239 CO -0.52 0.71 -0.26 0.00 -0.60 0.00 0.00 178.31 177.64 1i41 h ALA 240 N 1.35 -0.73 0.00 2.45 0.00 -1.65 -3.41 119.26 117.28 1i41 h ALA 240 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1i41 h ALA 240 Cb 0.29 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1i41 h ALA 240 CO -0.00 -0.69 0.00 2.41 0.00 0.00 0.00 179.25 180.97 1i41 n THR 241 N -5.26 -0.30 0.10 0.00 -1.04 -0.30 -3.92 114.28 103.55 1i41 n THR 241 Ca -0.09 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.96 1i41 n THR 241 Cb 0.30 -0.01 0.24 0.00 -1.82 0.00 0.00 70.33 69.03 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 1.13 0.06 0.07 -2.82 -0.04 -1.26 -1.20 135.00 130.93 1i41 n PRO 242 Ca 0.00 0.48 -0.18 0.00 -0.04 0.00 0.00 63.50 63.76 1i41 n PRO 242 Cb 0.00 -1.90 -0.14 0.00 -0.04 0.00 0.00 33.50 31.41 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 0.43 -0.17 1.53 3.38 -1.94 -3.35 115.31 115.19 1i41 h LEU 243 Ca 0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1i41 h LEU 243 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1i41 h LEU 243 CO 0.00 1.48 -0.26 0.59 0.09 0.00 0.00 178.44 180.34 1i41 n ASN 244 N -3.48 0.52 -3.62 -0.43 3.02 -0.34 -4.82 115.26 106.11 1i41 n ASN 244 Ca -0.17 -0.35 -0.04 0.00 -0.03 0.00 0.00 54.58 53.99 1i41 n ASN 244 Cb 1.05 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 40.20 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 -2.75 0.19 -0.61 3.52 -2.07 -1.11 -1.61 119.66 115.21 1i41 s GLN 245 Ca 0.19 0.01 0.05 0.00 -1.82 0.00 0.00 55.36 53.80 1i41 s GLN 245 Cb 0.19 0.09 0.20 0.00 -1.09 0.00 0.00 33.01 32.40 1i41 s GLN 245 CO 0.57 -0.07 0.56 1.63 -1.32 0.00 0.00 175.29 176.66 1i41 n LYS 246 N 0.41 1.70 -0.32 9.60 5.02 -1.26 -4.23 118.16 129.07 1i41 n LYS 246 Ca -0.01 -4.22 0.31 0.00 -2.02 0.00 0.00 58.31 52.36 1i41 n LYS 246 Cb 0.58 -2.07 0.57 0.00 -0.02 0.00 0.00 35.03 34.09 1i41 n LYS 246 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i41 h ALA 247 N 4.89 2.12 -0.86 7.82 0.00 -1.94 0.57 119.26 131.86 1i41 h ALA 247 Ca 0.17 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1i41 h ALA 247 Cb 0.76 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1i41 h ALA 247 CO 0.68 -0.91 0.57 -0.07 0.00 0.00 0.00 179.25 179.52 1i41 h LEU 248 N 0.03 0.98 -0.92 0.00 3.38 -1.86 -0.21 115.31 116.71 1i41 h LEU 248 Ca 0.83 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.68 1i41 h LEU 248 Cb 2.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1i41 h LEU 248 CO -0.76 0.70 -0.29 0.00 0.09 0.00 0.00 178.44 178.19 1i41 h ALA 249 N 1.32 1.08 0.00 1.53 0.00 -0.15 -1.91 119.26 121.13 1i41 h ALA 249 Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i41 h ALA 249 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1i41 h ALA 249 CO -0.07 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.02 1i41 n LEU 250 N -4.10 0.00 0.00 0.00 4.77 -0.91 -4.83 117.00 111.92 1i41 n LEU 250 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1i41 n LEU 250 Cb 0.42 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1i41 n LEU 250 CO 0.42 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1i41 n GLY 251 N 0.34 0.96 3.67 -0.72 0.00 -0.72 -3.71 105.19 105.01 1i41 n GLY 251 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.69 0.87 -0.05 4.61 0.00 -0.14 -4.93 120.51 120.19 1i41 n ALA 252 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 1i41 n ALA 252 Cb 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.12 1i41 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i41 h ASP 253 N 1.37 0.00 -4.36 0.00 3.32 -1.32 -3.40 116.42 112.03 1i41 h ASP 253 Ca -0.48 -0.82 -0.35 0.00 0.02 0.00 0.00 57.03 55.40 1i41 h ASP 253 Cb 1.32 -0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.63 1i41 h ASP 253 CO 0.56 0.82 -0.76 -0.76 -1.72 0.00 0.00 179.24 177.38 1i41 s LEU 254 N -8.58 2.15 -0.07 1.55 1.43 -0.57 -4.25 118.68 110.34 1i41 s LEU 254 Ca -0.18 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1i41 s LEU 254 Cb -0.01 -0.35 0.02 0.00 0.03 0.00 0.00 46.19 45.87 1i41 s LEU 254 CO 0.69 -0.04 -0.09 0.54 0.23 0.00 0.00 176.35 177.68 1i41 s VAL 255 N -0.83 0.92 0.11 -1.59 0.11 -0.82 -0.71 120.40 117.60 1i41 s VAL 255 Ca -0.02 -0.32 0.09 0.00 -2.93 0.00 0.00 61.98 58.80 1i41 s VAL 255 Cb -0.07 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1i41 s VAL 255 CO 0.01 0.32 -0.23 -1.48 -3.33 0.00 0.00 175.10 170.39 1i41 s LEU 256 N 0.99 2.31 0.32 2.54 0.05 -0.89 -1.13 118.68 122.86 1i41 s LEU 256 Ca -0.09 -0.71 0.03 0.00 0.05 0.00 0.00 54.13 53.41 1i41 s LEU 256 Cb -0.15 -0.98 -0.06 0.00 -2.05 0.00 0.00 46.19 42.95 1i41 s LEU 256 CO 0.00 0.09 0.07 -1.00 -0.55 0.00 0.00 176.35 174.96 1i41 s HIS 257 N -1.16 1.87 -0.71 3.48 3.76 0.41 -2.17 115.29 120.77 1i41 s HIS 257 Ca 0.09 -1.02 0.05 0.00 -0.15 0.00 0.00 55.06 54.03 1i41 s HIS 257 Cb -0.10 -1.20 0.18 0.00 1.11 0.00 0.00 32.58 32.57 1i41 s HIS 257 CO 0.05 -0.08 0.52 0.45 -0.85 0.00 0.00 174.74 174.83 1i41 n SER 258 N -0.67 3.11 0.14 1.40 2.88 -1.26 -2.52 113.62 116.70 1i41 n SER 258 Ca -0.02 -3.24 0.03 0.00 -1.33 0.00 0.00 58.87 54.31 1i41 n SER 258 Cb 0.66 -0.75 0.17 0.00 -0.75 0.00 0.00 64.21 63.54 1i41 n SER 258 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i41 n ALA 259 N 1.86 0.33 -0.00 -1.46 0.00 -0.47 -0.22 120.51 120.55 1i41 n ALA 259 Ca 0.21 0.06 0.16 0.00 0.00 0.00 0.00 53.44 53.87 1i41 n ALA 259 Cb 0.35 -0.41 0.62 0.00 0.00 0.00 0.00 19.45 20.02 1i41 n ALA 259 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i41 h THR 260 N 0.00 0.81 0.00 0.00 2.02 -1.73 -0.50 112.91 113.51 1i41 h THR 260 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1i41 h THR 260 Cb 0.97 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1i41 h THR 260 CO 0.00 0.02 0.00 0.29 0.37 0.00 0.00 175.52 176.20 1i41 n LYS 261 N -4.43 0.00 0.00 6.66 4.76 0.70 -4.51 118.16 121.33 1i41 n LYS 261 Ca 0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 1i41 n LYS 261 Cb 0.47 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.57 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 -0.05 -0.35 2.13 0.04 -1.75 0.48 116.94 117.44 1i41 h PHE 262 Ca 0.00 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.84 1i41 h PHE 262 Cb 0.00 0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.08 1i41 h PHE 262 CO 0.00 0.47 -0.40 -0.07 -0.60 0.00 0.00 178.31 177.70 1i41 h LEU 263 N -0.59 -1.32 -0.28 1.54 3.38 -1.85 -1.05 115.31 115.14 1i41 h LEU 263 Ca -0.01 0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 1i41 h LEU 263 Cb 0.54 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1i41 h LEU 263 CO 0.01 -0.37 -0.80 1.23 0.09 0.00 0.00 178.44 178.60 1i41 h GLY 264 N -0.34 0.57 -3.37 0.83 0.00 -1.22 -3.25 103.07 96.30 1i41 h GLY 264 Ca 0.14 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.53 1i41 h GLY 264 CO -0.53 0.75 -0.10 0.61 0.00 0.00 0.00 176.54 177.26 1i41 n GLY 265 N 0.70 -0.10 0.08 4.60 0.00 0.16 -4.58 105.19 106.05 1i41 n GLY 265 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.17 0.00 -3.99 1.61 8.25 -1.26 -2.31 115.22 115.35 1i41 n HIS 266 Ca -0.05 -0.25 -0.27 0.00 -0.26 0.00 0.00 57.72 56.89 1i41 n HIS 266 Cb 0.37 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.29 -0.84 -0.87 0.41 3.02 -1.26 -4.86 115.26 110.57 1i41 n ASN 267 Ca 0.02 -1.00 -0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1i41 n ASN 267 Cb 0.47 -3.04 -0.01 0.00 -0.61 0.00 0.00 39.78 36.59 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 -2.94 0.09 -3.62 6.41 5.75 -1.26 -5.11 116.55 115.87 1i41 n ASP 268 Ca -0.25 -1.79 -0.07 0.00 -0.01 0.00 0.00 54.79 52.67 1i41 n ASP 268 Cb 0.66 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.60 1i41 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i41 s VAL 269 N 0.00 0.00 -0.02 2.12 0.11 -1.26 -5.11 120.40 116.24 1i41 s VAL 269 Ca 0.10 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1i41 s VAL 269 Cb 0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1i41 s VAL 269 CO -0.05 0.00 -0.06 -0.76 -3.33 0.00 0.00 175.10 170.90 1i41 s LEU 270 N -0.56 3.20 -0.29 2.54 1.43 -1.26 -4.33 118.68 119.41 1i41 s LEU 270 Ca 0.03 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.82 1i41 s LEU 270 Cb -0.02 -1.80 0.14 0.00 0.03 0.00 0.00 46.19 44.54 1i41 s LEU 270 CO -0.06 0.30 1.08 0.00 0.23 0.00 0.00 176.35 177.90 1i41 s ALA 271 N -0.95 -2.15 0.46 4.21 0.00 -1.19 -4.62 121.76 117.52 1i41 s ALA 271 Ca 0.16 1.98 0.07 0.00 0.00 0.00 0.00 51.96 54.17 1i41 s ALA 271 Cb -0.11 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1i41 s ALA 271 CO 0.06 -0.26 0.63 0.20 0.00 0.00 0.00 175.76 176.39 1i41 s GLY 272 N 0.66 1.91 -0.29 0.00 0.00 -1.12 -1.36 107.32 107.11 1i41 s GLY 272 Ca -0.01 -1.66 -0.17 0.00 0.00 0.00 0.00 44.72 42.88 1i41 s GLY 272 CO -0.11 -1.43 1.05 0.00 0.00 0.00 0.00 173.10 172.61 1i41 s ILE 274 N 1.20 0.79 0.11 0.00 1.01 0.25 -0.45 121.20 124.12 1i41 s ILE 274 Ca -0.08 -0.22 0.10 0.00 0.00 0.00 0.00 60.65 60.44 1i41 s ILE 274 Cb -0.03 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1i41 s ILE 274 CO -0.13 0.30 -0.25 -0.44 0.00 0.00 0.00 174.94 174.42 1i41 s SER 275 N 1.16 3.01 0.00 3.58 0.01 -0.28 0.35 113.70 121.53 1i41 s SER 275 Ca -0.06 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1i41 s SER 275 Cb -0.14 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1i41 s SER 275 CO -0.01 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1i41 n GLY 276 N 1.08 -0.53 3.77 3.44 0.00 -0.68 -1.95 105.19 110.31 1i41 n GLY 276 Ca -0.18 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.46 4.36 0.04 1.61 0.04 -1.26 -1.93 135.00 136.39 1i41 s PRO 277 Ca 0.00 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 1i41 s PRO 277 Cb 0.00 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 1i41 s PRO 277 CO 0.00 -0.04 1.19 1.25 0.04 0.00 0.00 177.00 179.44 1i41 h LEU 278 N 3.20 -0.56 -1.67 -3.56 6.46 -1.89 0.67 115.31 117.97 1i41 h LEU 278 Ca -0.48 0.06 0.49 0.00 -0.12 0.00 0.00 57.88 57.83 1i41 h LEU 278 Cb 1.22 0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 41.28 1i41 h LEU 278 CO 0.65 -0.20 1.19 1.17 -0.62 0.00 0.00 178.44 180.63 1i41 n LYS 279 N -3.50 -0.00 -0.01 1.25 4.81 -1.26 -0.98 118.16 118.47 1i41 n LYS 279 Ca -0.03 0.94 -0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1i41 n LYS 279 Cb 0.14 -2.15 -0.00 0.00 0.02 0.00 0.00 35.03 33.05 1i41 n LYS 279 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1i41 h LEU 280 N 0.00 0.00 -0.92 3.14 3.38 -1.62 -3.36 115.31 115.92 1i41 h LEU 280 Ca 0.81 0.00 0.26 0.00 0.09 0.00 0.00 57.88 59.04 1i41 h LEU 280 Cb 3.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 43.80 1i41 h LEU 280 CO -0.04 0.08 0.30 1.62 0.09 0.00 0.00 178.44 180.50 1i41 h VAL 281 N -0.12 0.27 -0.40 1.22 3.04 -0.19 0.11 116.25 120.19 1i41 h VAL 281 Ca 0.00 -0.07 0.07 0.00 -1.01 0.00 0.00 66.70 65.69 1i41 h VAL 281 Cb 0.05 0.05 -0.06 0.00 -2.01 0.00 0.00 31.29 29.32 1i41 h VAL 281 CO 0.00 0.04 -0.01 0.77 -1.01 0.00 0.00 177.57 177.36 1i41 h SER 282 N 0.21 -0.17 -0.99 3.17 4.64 -1.28 0.10 113.55 119.22 1i41 h SER 282 Ca 0.61 0.09 0.24 0.00 -0.47 0.00 0.00 61.79 62.26 1i41 h SER 282 Cb 1.29 0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 63.47 1i41 h SER 282 CO -0.67 -0.05 0.65 -0.33 -0.87 0.00 0.00 176.83 175.56 1i41 h GLU 283 N 0.10 0.38 0.13 4.77 4.39 -0.92 -0.89 114.58 122.54 1i41 h GLU 283 Ca 0.19 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.69 1i41 h GLU 283 Cb 0.28 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1i41 h GLU 283 CO -0.33 0.25 -0.78 0.82 -1.16 0.00 0.00 179.01 177.81 1i41 h ILE 284 N 0.39 1.51 -1.02 3.13 2.04 -1.10 -3.22 117.51 119.25 1i41 h ILE 284 Ca 0.54 -2.49 0.25 0.00 1.00 0.00 0.00 64.86 64.16 1i41 h ILE 284 Cb 1.39 3.15 -0.12 0.00 -0.74 0.00 0.00 36.82 40.49 1i41 h ILE 284 CO -0.24 0.71 0.62 -0.09 0.00 0.00 0.00 178.15 179.15 1i41 h ARG 285 N -0.35 0.53 0.75 2.37 2.43 0.26 0.41 114.38 120.78 1i41 h ARG 285 Ca -0.13 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1i41 h ARG 285 Cb 1.60 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 1i41 h ARG 285 CO 0.15 0.35 -0.40 -0.91 -1.51 0.00 0.00 179.97 177.64 1i41 h ASN 286 N 0.54 -0.98 -0.62 -3.80 2.35 -1.31 0.23 115.58 111.99 1i41 h ASN 286 Ca 0.63 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 56.49 1i41 h ASN 286 Cb 1.29 0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.89 1i41 h ASN 286 CO -0.43 -0.66 0.41 0.25 -1.65 0.00 0.00 177.43 175.36 1i41 h LEU 287 N -1.07 0.54 -1.14 1.61 5.85 -0.97 -0.32 115.31 119.81 1i41 h LEU 287 Ca -0.10 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1i41 h LEU 287 Cb 0.83 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1i41 h LEU 287 CO 0.14 0.35 0.58 -0.74 -0.34 0.00 0.00 178.44 178.43 1i41 h HIS 288 N 0.61 1.09 0.00 1.25 2.76 0.39 0.09 115.15 121.35 1i41 h HIS 288 Ca 0.27 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1i41 h HIS 288 Cb 0.27 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1i41 h HIS 288 CO -0.00 0.68 0.00 0.72 -1.30 0.00 0.00 177.93 178.03 1i41 n HIS 289 N -4.41 0.00 0.00 5.26 8.25 0.01 -1.27 115.22 123.05 1i41 n HIS 289 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1i41 n HIS 289 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.83 0.00 0.33 1.59 5.41 -0.06 -4.60 119.36 121.19 1i41 n ILE 290 Ca 0.05 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.95 1i41 n ILE 290 Cb 0.02 -0.65 0.55 0.00 -0.71 0.00 0.00 39.64 38.86 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 0.00 0.00 -3.04 1.39 3.38 -1.19 -3.47 115.31 112.38 1i41 h LEU 291 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1i41 h LEU 291 Cb 0.97 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.75 1i41 h LEU 291 CO 0.00 0.00 -0.60 0.61 0.09 0.00 0.00 178.44 178.54 1i41 n GLY 292 N 0.24 -1.22 1.35 0.83 0.00 -0.40 -4.91 105.19 101.09 1i41 n GLY 292 Ca 0.02 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.70 5.06 3.49 -0.02 0.00 -1.26 -5.05 105.19 105.72 1i41 n GLY 293 Ca -0.14 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1i41 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 294 N -1.09 -1.08 -2.71 4.61 0.00 -1.26 -0.61 120.51 118.37 1i41 n ALA 294 Ca 0.37 0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.59 1i41 n ALA 294 Cb 1.05 -1.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 1.07 4.30 0.37 0.00 2.96 -1.26 -4.39 118.68 121.73 1i41 s LEU 295 Ca 0.64 0.55 -0.27 0.00 -0.22 0.00 0.00 54.13 54.84 1i41 s LEU 295 Cb -0.57 -2.34 -0.09 0.00 0.50 0.00 0.00 46.19 43.69 1i41 s LEU 295 CO 0.57 0.19 1.25 0.21 -1.32 0.00 0.00 176.35 177.25 1i41 s ASN 296 N 0.00 6.58 0.12 3.68 3.84 -1.26 -4.87 114.94 123.04 1i41 s ASN 296 Ca 0.17 2.55 -0.32 0.00 0.21 0.00 0.00 52.86 55.47 1i41 s ASN 296 Cb -0.13 -2.63 -0.09 0.00 -0.55 0.00 0.00 41.25 37.84 1i41 s ASN 296 CO 0.05 -0.65 1.57 -0.65 -2.79 0.00 0.00 177.10 174.62 1i41 h PRO 297 N 2.97 -0.53 -0.86 0.43 0.11 -1.96 -1.29 132.00 130.87 1i41 h PRO 297 Ca -0.49 0.04 0.22 0.00 0.11 0.00 0.00 66.00 65.87 1i41 h PRO 297 Cb 1.23 0.12 -0.15 0.00 0.11 0.00 0.00 31.00 32.31 1i41 h PRO 297 CO 0.64 -0.35 0.05 -0.91 -0.21 0.00 0.00 178.00 177.21 1i41 h ASN 298 N -0.55 -0.34 0.38 -2.05 2.35 -1.92 0.41 115.58 113.86 1i41 h ASN 298 Ca 0.05 0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1i41 h ASN 298 Cb 0.66 0.38 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1i41 h ASN 298 CO -0.41 -0.23 -0.25 0.00 -1.65 0.00 0.00 177.43 174.89 1i41 h ALA 299 N 1.82 -0.60 -0.69 -0.83 0.00 -1.67 -1.25 119.26 116.03 1i41 h ALA 299 Ca 0.50 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.45 1i41 h ALA 299 Cb 0.96 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1i41 h ALA 299 CO -0.75 -0.85 -0.06 0.00 0.00 0.00 0.00 179.25 177.59 1i41 h ALA 300 N -0.02 0.62 -0.17 0.00 0.00 0.74 -0.53 119.26 119.90 1i41 h ALA 300 Ca -0.04 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 300 Cb 0.51 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1i41 h ALA 300 CO 0.03 -0.42 0.08 -0.92 0.00 0.00 0.00 179.25 178.02 1i41 h TYR 301 N 0.07 0.15 -0.99 0.00 3.20 -0.29 -1.45 116.97 117.66 1i41 h TYR 301 Ca 0.36 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.41 1i41 h TYR 301 Cb 0.60 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.73 1i41 h TYR 301 CO -0.45 0.09 0.62 -0.07 -1.64 0.00 0.00 178.16 176.70 1i41 h LEU 302 N 0.18 0.78 -0.18 2.82 3.38 0.07 0.65 115.31 123.01 1i41 h LEU 302 Ca 0.07 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1i41 h LEU 302 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1i41 h LEU 302 CO -0.05 0.32 -0.03 0.40 0.09 0.00 0.00 178.44 179.18 1i41 h ILE 303 N 0.79 1.27 -0.80 1.22 5.03 -0.69 0.14 117.51 124.48 1i41 h ILE 303 Ca 0.55 -0.95 0.13 0.00 -0.12 0.00 0.00 64.86 64.46 1i41 h ILE 303 Cb 0.82 1.54 -0.06 0.00 -3.03 0.00 0.00 36.82 36.10 1i41 h ILE 303 CO -0.33 0.29 0.52 0.40 -0.68 0.00 0.00 178.15 178.35 1i41 h ILE 304 N 0.06 0.86 -0.13 -0.67 2.04 -0.03 0.38 117.51 120.03 1i41 h ILE 304 Ca 0.05 -0.21 -0.21 0.00 1.00 0.00 0.00 64.86 65.49 1i41 h ILE 304 Cb 0.45 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1i41 h ILE 304 CO 0.01 0.11 -0.74 -0.09 0.00 0.00 0.00 178.15 177.44 1i41 h ARG 305 N 0.60 0.73 -0.31 2.37 2.43 -0.67 -2.95 114.38 116.58 1i41 h ARG 305 Ca 0.39 -0.61 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1i41 h ARG 305 Cb 0.66 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1i41 h ARG 305 CO -0.15 1.22 0.14 0.78 -1.51 0.00 0.00 179.97 180.45 1i41 h GLY 306 N 0.43 0.48 2.00 2.80 0.00 0.10 -2.09 103.07 106.79 1i41 h GLY 306 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1i41 h GLY 306 CO 0.15 0.23 0.00 -0.33 0.00 0.00 0.00 176.54 176.60 1i41 h MET 307 N 0.36 0.00 -0.16 4.80 2.86 -0.36 -1.79 114.93 120.64 1i41 h MET 307 Ca 0.10 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1i41 h MET 307 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1i41 h MET 307 CO -0.01 0.00 0.22 0.87 1.06 0.00 0.00 176.91 179.05 1i41 h LYS 308 N 0.00 0.00 -0.32 1.72 1.79 -1.19 -0.88 116.57 117.70 1i41 h LYS 308 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 1i41 h LYS 308 Cb 0.12 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.47 1i41 h LYS 308 CO 0.00 0.00 -0.84 0.25 -1.08 0.00 0.00 179.45 177.78 1i41 n THR 309 N -3.59 1.67 0.28 -0.16 -2.24 -0.67 -4.69 114.28 104.87 1i41 n THR 309 Ca 0.01 -3.03 -0.12 0.00 -2.27 0.00 0.00 64.05 58.65 1i41 n THR 309 Cb 0.33 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.70 -0.71 -0.31 3.22 5.85 -1.17 -2.62 115.31 121.27 1i41 h LEU 310 Ca 0.04 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1i41 h LEU 310 Cb 1.40 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.55 1i41 h LEU 310 CO 0.29 -0.46 -0.49 1.12 -0.34 0.00 0.00 178.44 178.56 1i41 h HIS 311 N -0.75 -1.46 -0.88 1.25 2.07 -1.90 -0.52 115.15 112.97 1i41 h HIS 311 Ca -0.07 0.07 0.23 0.00 -2.85 0.00 0.00 60.37 57.75 1i41 h HIS 311 Cb 0.59 0.68 -0.14 0.00 2.57 0.00 0.00 27.41 31.10 1i41 h HIS 311 CO 0.03 -0.49 0.22 -0.07 -3.07 0.00 0.00 177.93 174.55 1i41 h LEU 312 N -0.43 -0.03 -0.07 6.12 3.38 -1.94 0.20 115.31 122.55 1i41 h LEU 312 Ca 0.09 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 1i41 h LEU 312 Cb 0.62 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1i41 h LEU 312 CO -0.53 -0.17 -0.09 0.03 0.09 0.00 0.00 178.44 177.78 1i41 h ARG 313 N 0.19 0.18 0.35 1.13 3.08 -0.87 -3.05 114.38 115.40 1i41 h ARG 313 Ca 0.55 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.49 1i41 h ARG 313 Cb 1.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1i41 h ARG 313 CO -0.67 0.65 -0.26 0.28 -1.07 0.00 0.00 179.97 178.90 1i41 h VAL 314 N -0.28 0.45 -0.70 2.04 2.07 0.11 -1.61 116.25 118.33 1i41 h VAL 314 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1i41 h VAL 314 Cb 0.63 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 1i41 h VAL 314 CO 0.02 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.20 1i41 n GLN 315 N -5.39 -0.31 -0.15 1.57 6.02 0.60 0.11 117.38 119.83 1i41 n GLN 315 Ca -0.10 1.30 -0.04 0.00 -0.01 0.00 0.00 57.00 58.15 1i41 n GLN 315 Cb 0.29 -1.91 0.05 0.00 1.02 0.00 0.00 30.24 29.69 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 0.34 -0.42 -1.09 5.75 -1.41 -1.77 115.11 116.50 1i41 h GLN 316 Ca 0.11 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1i41 h GLN 316 Cb 0.29 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1i41 h GLN 316 CO -0.65 0.23 -0.02 1.96 -2.65 0.00 0.00 178.83 177.70 1i41 h GLN 317 N 0.35 0.69 -0.86 1.69 4.20 0.05 -1.70 115.11 119.54 1i41 h GLN 317 Ca 0.22 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1i41 h GLN 317 Cb 0.21 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1i41 h GLN 317 CO -0.21 0.72 0.57 -0.91 -0.67 0.00 0.00 178.83 178.32 1i41 h ASN 318 N 0.65 0.96 0.00 1.46 2.35 0.16 -2.13 115.58 119.04 1i41 h ASN 318 Ca 0.13 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1i41 h ASN 318 Cb 0.43 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1i41 h ASN 318 CO 0.02 0.68 0.00 -1.20 -1.65 0.00 0.00 177.43 175.28 1i41 n SER 319 N -4.42 0.00 -0.12 5.81 7.64 -0.86 -2.91 113.62 118.76 1i41 n SER 319 Ca 0.10 0.29 -0.02 0.00 1.01 0.00 0.00 58.87 60.25 1i41 n SER 319 Cb 0.05 -0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.90 -0.18 0.01 0.44 -1.04 -0.69 0.42 114.28 112.35 1i41 n THR 320 Ca 0.00 0.71 -0.03 0.00 -2.04 0.00 0.00 64.05 62.69 1i41 n THR 320 Cb 0.00 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.59 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 0.27 -0.60 -0.44 2.41 0.00 -1.52 0.35 119.26 119.73 1i41 h ALA 321 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1i41 h ALA 321 Cb 0.15 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1i41 h ALA 321 CO -0.29 -0.62 -0.40 1.25 0.00 0.00 0.00 179.25 179.19 1i41 h LEU 322 N -0.12 -1.38 -0.43 0.00 5.85 0.09 0.49 115.31 119.80 1i41 h LEU 322 Ca 0.00 0.19 0.09 0.00 0.84 0.00 0.00 57.88 59.00 1i41 h LEU 322 Cb 0.13 0.58 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 1i41 h LEU 322 CO -0.06 -0.24 -0.15 0.03 -0.34 0.00 0.00 178.44 177.68 1i41 h ARG 323 N -0.17 -0.06 0.00 1.25 3.08 -1.14 0.16 114.38 117.50 1i41 h ARG 323 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1i41 h ARG 323 Cb 0.37 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1i41 h ARG 323 CO -0.51 -0.04 -0.06 0.52 -1.07 0.00 0.00 179.97 178.82 1i41 h MET 324 N -0.06 0.00 0.58 0.04 2.86 0.86 -2.28 114.93 116.94 1i41 h MET 324 Ca 0.21 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1i41 h MET 324 Cb 0.38 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1i41 h MET 324 CO -0.48 0.06 -0.28 0.00 1.06 0.00 0.00 176.91 177.27 1i41 h ALA 325 N 1.94 -0.80 -0.64 6.32 0.00 0.28 -1.86 119.26 124.51 1i41 h ALA 325 Ca -0.00 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.87 1i41 h ALA 325 Cb 0.17 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 1i41 h ALA 325 CO 0.01 -0.74 -0.12 0.93 0.00 0.00 0.00 179.25 179.33 1i41 h GLU 326 N -1.18 0.03 -0.56 0.00 5.08 -1.13 0.16 114.58 116.97 1i41 h GLU 326 Ca -0.08 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1i41 h GLU 326 Cb 0.60 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 1i41 h GLU 326 CO 0.13 0.02 0.14 0.82 -1.00 0.00 0.00 179.01 179.12 1i41 h ILE 327 N 0.03 0.70 -0.03 3.13 2.04 -1.43 -1.49 117.51 120.46 1i41 h ILE 327 Ca 0.32 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1i41 h ILE 327 Cb 0.50 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1i41 h ILE 327 CO -0.63 0.05 0.01 -0.07 0.00 0.00 0.00 178.15 177.51 1i41 h LEU 328 N 0.28 0.05 -0.66 1.44 3.38 0.08 -2.04 115.31 117.84 1i41 h LEU 328 Ca 0.29 -0.23 0.14 0.00 0.09 0.00 0.00 57.88 58.16 1i41 h LEU 328 Cb 0.40 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 1i41 h LEU 328 CO -0.35 0.27 0.10 -0.08 0.09 0.00 0.00 178.44 178.46 1i41 h GLU 329 N -0.18 0.20 0.00 1.13 4.81 -0.47 0.17 114.58 120.24 1i41 h GLU 329 Ca 0.01 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1i41 h GLU 329 Cb 0.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1i41 h GLU 329 CO 0.00 0.13 -0.17 0.00 -0.73 0.00 0.00 179.01 178.24 1i41 h ALA 330 N 1.56 1.23 -2.82 2.92 0.00 -1.15 -3.44 119.26 117.56 1i41 h ALA 330 Ca 0.36 -0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.58 1i41 h ALA 330 Cb 0.58 -0.03 0.08 0.00 0.00 0.00 0.00 17.79 18.42 1i41 h ALA 330 CO -0.49 0.21 0.79 -1.58 0.00 0.00 0.00 179.25 178.18 1i41 s HIS 331 N -4.07 2.85 0.21 0.00 5.65 0.58 -4.93 115.29 115.58 1i41 s HIS 331 Ca -0.02 1.02 -0.06 0.00 0.25 0.00 0.00 55.06 56.25 1i41 s HIS 331 Cb 0.13 -3.92 0.17 0.00 -1.18 0.00 0.00 32.58 27.77 1i41 s HIS 331 CO 0.61 -2.93 1.67 -1.00 -0.65 0.00 0.00 174.74 172.43 1i41 h PRO 332 N 4.37 0.92 0.00 2.88 0.13 -1.86 -2.98 132.00 135.46 1i41 h PRO 332 Ca -0.48 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1i41 h PRO 332 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1i41 h PRO 332 CO 0.74 0.95 0.00 1.63 -0.23 0.00 0.00 178.00 181.09 1i41 n LYS 333 N -4.17 0.06 -3.08 0.86 5.02 -1.26 -4.58 118.16 111.01 1i41 n LYS 333 Ca 0.02 0.17 -0.44 0.00 -2.02 0.00 0.00 58.31 56.04 1i41 n LYS 333 Cb 0.37 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 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 -3.05 4.76 0.12 -0.18 1.01 -1.13 -0.18 120.40 121.74 1i41 s VAL 334 Ca 0.10 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 1i41 s VAL 334 Cb 0.14 -4.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 1i41 s VAL 334 CO 0.43 -0.95 1.76 -0.09 0.00 0.00 0.00 175.10 176.25 1i41 h ARG 335 N 9.12 0.18 -3.23 2.72 9.65 -1.48 -3.46 114.38 127.88 1i41 h ARG 335 Ca -0.28 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.50 1i41 h ARG 335 Cb 1.09 -0.04 -0.17 0.00 -1.39 0.00 0.00 29.97 29.46 1i41 h ARG 335 CO 1.02 0.12 -0.22 -1.58 2.80 0.00 0.00 179.97 182.11 1i41 s HIS 336 N -6.18 -0.14 -0.04 2.20 2.46 -1.08 -4.98 115.29 107.53 1i41 s HIS 336 Ca -0.13 0.04 0.01 0.00 0.47 0.00 0.00 55.06 55.45 1i41 s HIS 336 Cb 0.08 0.12 0.02 0.00 -0.13 0.00 0.00 32.58 32.68 1i41 s HIS 336 CO 0.69 -0.51 -0.03 0.08 -2.47 0.00 0.00 174.74 172.49 1i41 s VAL 337 N -2.46 0.42 -0.21 0.89 1.01 -1.26 -1.15 120.40 117.64 1i41 s VAL 337 Ca -0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1i41 s VAL 337 Cb -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1i41 s VAL 337 CO -0.03 0.19 -0.01 -0.31 0.00 0.00 0.00 175.10 174.95 1i41 s TYR 338 N 0.88 3.01 -0.29 5.22 1.51 0.12 -4.82 117.35 122.97 1i41 s TYR 338 Ca -0.11 -0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 55.19 1i41 s TYR 338 Cb -0.14 -2.09 0.16 0.00 -0.11 0.00 0.00 41.96 39.78 1i41 s TYR 338 CO -0.00 -0.34 1.02 -0.47 -1.11 0.00 0.00 175.55 174.65 1i41 s TYR 339 N 1.16 -0.53 0.53 2.71 5.04 -1.26 -2.82 117.35 122.19 1i41 s TYR 339 Ca 0.03 1.01 0.22 0.00 -2.44 0.00 0.00 57.07 55.89 1i41 s TYR 339 Cb -0.14 0.32 1.38 0.00 0.35 0.00 0.00 41.96 43.86 1i41 s TYR 339 CO 0.01 -0.26 2.06 -1.35 -1.34 0.00 0.00 175.55 174.66 1i41 h PRO 340 N 6.37 0.00 -0.74 4.97 0.11 -1.87 -2.11 132.00 138.73 1i41 h PRO 340 Ca -0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 1i41 h PRO 340 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1i41 h PRO 340 CO 0.17 0.00 0.21 0.78 -0.21 0.00 0.00 178.00 178.95 1i41 h GLY 341 N 0.00 1.25 -1.73 -0.55 0.00 -1.94 -3.41 103.07 96.70 1i41 h GLY 341 Ca 0.16 -0.75 -0.53 0.00 0.00 0.00 0.00 47.33 46.20 1i41 h GLY 341 CO -0.00 0.70 0.38 1.08 0.00 0.00 0.00 176.54 178.70 1i41 s LEU 342 N -9.58 3.30 0.28 3.11 1.43 -0.79 -4.92 118.68 111.51 1i41 s LEU 342 Ca -0.12 2.28 0.15 0.00 -1.03 0.00 0.00 54.13 55.41 1i41 s LEU 342 Cb 0.15 -4.58 0.20 0.00 0.03 0.00 0.00 46.19 41.99 1i41 s LEU 342 CO 0.85 -2.20 1.50 1.56 0.23 0.00 0.00 176.35 178.29 1i41 h GLN 343 N -0.33 0.00 0.00 1.70 4.20 -1.86 -3.14 115.11 115.68 1i41 h GLN 343 Ca -0.47 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 1i41 h GLN 343 Cb 1.29 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 1i41 h GLN 343 CO 0.50 0.55 -0.04 0.66 -0.67 0.00 0.00 178.83 179.84 1i41 h SER 344 N 0.00 0.00 -3.17 1.46 4.64 -1.91 -3.44 113.55 111.13 1i41 h SER 344 Ca -0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1i41 h SER 344 Cb 1.30 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.43 1i41 h SER 344 CO 0.07 0.04 0.75 -2.28 -0.87 0.00 0.00 176.83 174.54 1i41 s HIS 345 N -3.89 3.14 0.27 4.77 5.04 -1.19 -4.93 115.29 118.51 1i41 s HIS 345 Ca -0.01 0.97 -0.00 0.00 -1.54 0.00 0.00 55.06 54.48 1i41 s HIS 345 Cb 0.11 -3.75 0.63 0.00 0.04 0.00 0.00 32.58 29.60 1i41 s HIS 345 CO 0.52 -2.55 1.65 -1.35 -2.34 0.00 0.00 174.74 170.67 1i41 h PRO 346 N 5.94 0.20 -0.52 2.88 0.11 -1.91 -2.00 132.00 136.70 1i41 h PRO 346 Ca -0.44 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 1i41 h PRO 346 Cb 1.21 -0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 1i41 h PRO 346 CO 0.83 0.13 0.10 -0.85 -0.21 0.00 0.00 178.00 178.00 1i41 n GLU 347 N -5.23 1.96 -0.06 1.05 0.00 -1.26 -4.67 120.64 112.43 1i41 n GLU 347 Ca 0.19 -3.15 0.08 0.00 0.00 0.00 0.00 57.16 54.28 1i41 n GLU 347 Cb 0.61 -1.91 0.45 0.00 0.00 0.00 0.00 31.44 30.59 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 1.02 0.51 -0.11 -1.84 2.76 -1.59 0.90 115.15 116.81 1i41 h HIS 348 Ca 0.33 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.42 1i41 h HIS 348 Cb 1.97 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.75 1i41 h HIS 348 CO 1.18 0.28 -0.35 1.12 -1.30 0.00 0.00 177.93 178.87 1i41 h HIS 349 N 0.51 0.25 0.09 5.26 2.07 -1.83 -0.42 115.15 121.08 1i41 h HIS 349 Ca 0.23 -0.06 -0.00 0.00 -2.85 0.00 0.00 60.37 57.69 1i41 h HIS 349 Cb 0.26 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.18 1i41 h HIS 349 CO -0.00 0.55 -0.04 0.82 -3.07 0.00 0.00 177.93 176.18 1i41 h ILE 350 N 0.19 1.02 -0.83 6.12 2.04 -1.45 -2.75 117.51 121.85 1i41 h ILE 350 Ca 0.02 -1.40 0.17 0.00 1.00 0.00 0.00 64.86 64.65 1i41 h ILE 350 Cb 0.71 1.79 -0.11 0.00 -0.74 0.00 0.00 36.82 38.48 1i41 h ILE 350 CO 0.05 0.29 0.36 0.00 0.00 0.00 0.00 178.15 178.85 1i41 h ALA 351 N -0.24 1.23 0.00 1.87 0.00 -0.86 0.68 119.26 121.94 1i41 h ALA 351 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1i41 h ALA 351 Cb 0.57 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1i41 h ALA 351 CO 0.02 -0.23 -0.10 -0.22 0.00 0.00 0.00 179.25 178.72 1i41 h LYS 352 N 0.46 0.00 0.02 0.00 3.64 -1.10 0.52 116.57 120.11 1i41 h LYS 352 Ca 0.48 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.56 1i41 h LYS 352 Cb 0.78 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 1i41 h LYS 352 CO -0.44 0.10 -1.66 -0.22 -2.27 0.00 0.00 179.45 174.96 1i41 h LYS 353 N 0.00 0.05 -0.01 1.90 3.64 0.54 -3.40 116.57 119.29 1i41 h LYS 353 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1i41 h LYS 353 Cb 0.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1i41 h LYS 353 CO 0.01 0.68 -0.21 0.00 -2.27 0.00 0.00 179.45 177.66 1i41 n GLN 354 N -3.16 2.11 -4.58 1.90 10.64 0.28 -5.03 117.38 119.54 1i41 n GLN 354 Ca -0.17 -0.59 -0.30 0.00 -1.83 0.00 0.00 57.00 54.11 1i41 n GLN 354 Cb 1.04 -1.08 -0.08 0.00 -0.86 0.00 0.00 30.24 29.27 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 -1.36 2.15 0.00 2.61 -1.94 0.16 -4.64 119.30 116.28 1i41 s MET 355 Ca 0.08 -2.24 0.00 0.00 -1.71 0.00 0.00 55.69 51.82 1i41 s MET 355 Cb 0.08 -1.66 0.00 0.00 2.01 0.00 0.00 34.83 35.26 1i41 s MET 355 CO 0.25 -0.29 0.07 0.25 -0.01 0.00 0.00 175.02 175.29 1i41 n THR 356 N -1.24 0.00 -4.05 2.05 -2.24 -0.63 -4.78 114.28 103.38 1i41 n THR 356 Ca -0.12 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1i41 n THR 356 Cb 0.66 1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 70.21 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 -0.14 1.00 -0.10 3.38 0.00 -1.26 -5.03 107.32 105.18 1i41 s GLY 357 Ca 0.00 -1.22 0.20 0.00 0.00 0.00 0.00 44.72 43.70 1i41 s GLY 357 CO 0.00 -0.85 1.19 0.69 0.00 0.00 0.00 173.10 174.12 1i41 n PHE 358 N -0.44 0.17 -2.95 1.90 3.72 -1.26 -4.93 117.46 113.66 1i41 n PHE 358 Ca -0.00 -1.01 0.04 0.00 -0.05 0.00 0.00 57.45 56.43 1i41 n PHE 358 Cb 0.62 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.18 -1.76 0.01 1.37 0.00 -1.26 -4.61 105.19 98.76 1i41 n GLY 359 Ca 0.12 -1.27 0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.06 2.42 3.83 -0.02 0.00 -1.26 -3.99 105.19 105.11 1i41 n GLY 360 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.00 3.78 -0.03 4.61 0.00 -1.26 -1.47 121.76 126.39 1i41 s ALA 361 Ca 0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 1i41 s ALA 361 Cb 0.02 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 21.05 1i41 s ALA 361 CO 0.00 0.45 0.02 0.08 0.00 0.00 0.00 175.76 176.31 1i41 s VAL 362 N -0.61 0.08 0.04 0.00 1.01 0.12 -4.95 120.40 116.08 1i41 s VAL 362 Ca 0.15 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1i41 s VAL 362 Cb -0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1i41 s VAL 362 CO 0.04 0.13 -0.03 -0.44 0.00 0.00 0.00 175.10 174.81 1i41 s SER 363 N 1.19 4.90 -0.28 3.32 0.01 -1.13 0.37 113.70 122.08 1i41 s SER 363 Ca -0.07 -0.13 -0.23 0.00 1.31 0.00 0.00 55.95 56.83 1i41 s SER 363 Cb -0.13 -1.18 0.11 0.00 0.21 0.00 0.00 66.02 65.02 1i41 s SER 363 CO -0.02 0.24 0.91 0.72 0.41 0.00 0.00 173.24 175.50 1i41 s PHE 364 N -1.14 -0.62 -0.02 2.43 -0.71 -0.09 0.13 117.98 117.96 1i41 s PHE 364 Ca 0.21 1.44 -0.19 0.00 -1.04 0.00 0.00 56.93 57.36 1i41 s PHE 364 Cb -0.11 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1i41 s PHE 364 CO 0.12 -0.30 0.52 -1.21 -1.34 0.00 0.00 175.22 173.01 1i41 s GLU 365 N 0.54 4.22 0.23 1.99 2.02 -0.30 -1.06 118.70 126.34 1i41 s GLU 365 Ca -0.00 0.60 -0.08 0.00 0.02 0.00 0.00 54.97 55.50 1i41 s GLU 365 Cb -0.05 -3.32 -0.07 0.00 0.10 0.00 0.00 34.13 30.79 1i41 s GLU 365 CO -0.07 0.42 0.54 0.08 0.02 0.00 0.00 175.26 176.25 1i41 s VAL 366 N -0.31 4.97 -1.31 2.63 1.01 -1.21 -1.41 120.40 124.76 1i41 s VAL 366 Ca 0.28 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 1i41 s VAL 366 Cb -0.17 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1i41 s VAL 366 CO 0.15 -0.11 1.96 -0.67 0.00 0.00 0.00 175.10 176.43 1i41 n ASP 367 N -0.28 4.18 0.00 3.32 2.03 0.75 -4.63 116.55 121.92 1i41 n ASP 367 Ca -0.00 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.46 1i41 n ASP 367 Cb 0.53 -1.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 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 4.85 1.67 1.60 0.27 0.00 -1.26 -5.02 105.19 107.29 1i41 n GLY 368 Ca 0.50 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1i41 n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i41 n ASP 369 N 0.00 1.46 0.00 1.61 5.75 -1.26 -4.76 116.55 119.35 1i41 n ASP 369 Ca 0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1i41 n ASP 369 Cb 0.00 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1i41 n ASP 369 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1i41 n LEU 370 N 0.00 0.00 -0.27 -2.12 -0.00 -1.26 0.93 117.00 114.27 1i41 n LEU 370 Ca -0.04 0.90 0.15 0.00 -0.00 0.00 0.00 56.01 57.01 1i41 n LEU 370 Cb 0.29 -0.40 0.41 0.00 -0.00 0.00 0.00 43.42 43.73 1i41 n LEU 370 CO 0.15 -0.40 1.22 -0.07 -0.00 0.00 0.00 177.39 178.29 1i41 h LEU 371 N 0.00 0.59 0.27 -1.96 -0.00 -1.97 0.34 115.31 112.58 1i41 h LEU 371 Ca 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1i41 h LEU 371 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1i41 h LEU 371 CO 0.00 0.26 -0.13 0.74 -0.00 0.00 0.00 178.44 179.32 1i41 h THR 372 N 0.61 0.73 -0.76 0.22 2.02 -1.44 -1.00 112.91 113.29 1i41 h THR 372 Ca 0.48 -0.74 0.13 0.00 0.77 0.00 0.00 66.41 67.05 1i41 h THR 372 Cb 0.90 1.10 -0.09 0.00 -1.74 0.00 0.00 68.15 68.33 1i41 h THR 372 CO -0.22 0.14 0.34 0.74 0.37 0.00 0.00 175.52 176.89 1i41 h THR 373 N -0.78 0.72 0.15 3.16 2.02 0.11 -0.33 112.91 117.96 1i41 h THR 373 Ca -0.04 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1i41 h THR 373 Cb 0.51 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1i41 h THR 373 CO 0.06 0.10 -0.40 0.00 0.37 0.00 0.00 175.52 175.64 1i41 h ALA 374 N 1.52 -0.72 -0.98 6.16 0.00 -0.87 -0.76 119.26 123.61 1i41 h ALA 374 Ca 0.41 -0.08 0.33 0.00 0.00 0.00 0.00 54.91 55.58 1i41 h ALA 374 Cb 0.57 0.66 -0.16 0.00 0.00 0.00 0.00 17.79 18.86 1i41 h ALA 374 CO -0.36 -0.97 0.45 -0.22 0.00 0.00 0.00 179.25 178.15 1i41 h LYS 375 N -0.65 0.16 0.00 0.00 3.64 0.32 0.24 116.57 120.28 1i41 h LYS 375 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1i41 h LYS 375 Cb 0.67 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1i41 h LYS 375 CO -0.22 0.11 0.00 0.34 -2.27 0.00 0.00 179.45 177.41 1i41 n PHE 376 N -5.19 0.00 -0.37 1.91 7.35 -0.32 -1.91 117.46 118.92 1i41 n PHE 376 Ca 0.31 0.00 0.29 0.00 -0.76 0.00 0.00 57.45 57.29 1i41 n PHE 376 Cb 1.01 -0.33 0.56 0.00 0.35 0.00 0.00 39.48 41.08 1i41 n PHE 376 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1i41 h VAL 377 N 0.00 0.32 -0.35 -2.13 -1.51 -0.90 0.73 116.25 112.40 1i41 h VAL 377 Ca 0.00 -0.09 -0.03 0.00 -1.23 0.00 0.00 66.70 65.35 1i41 h VAL 377 Cb 0.00 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 29.18 1i41 h VAL 377 CO 0.00 0.05 0.08 0.44 -1.23 0.00 0.00 177.57 176.91 1i41 h ASP 378 N 0.25 0.47 0.42 4.19 5.19 -0.86 -2.64 116.42 123.44 1i41 h ASP 378 Ca 0.71 -0.06 -0.12 0.00 -0.62 0.00 0.00 57.03 56.94 1i41 h ASP 378 Cb 1.98 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 41.36 1i41 h ASP 378 CO -0.40 0.48 -0.53 0.00 -3.12 0.00 0.00 179.24 175.67 1i41 h ALA 379 N 1.58 1.03 -2.42 3.45 0.00 0.12 -3.45 119.26 119.58 1i41 h ALA 379 Ca 0.12 -0.49 -0.58 0.00 0.00 0.00 0.00 54.91 53.96 1i41 h ALA 379 Cb 0.21 -0.09 0.13 0.00 0.00 0.00 0.00 17.79 18.04 1i41 h ALA 379 CO -0.00 0.67 0.23 1.28 0.00 0.00 0.00 179.25 181.43 1i41 n LEU 380 N -3.92 2.80 -0.03 0.00 4.77 -1.00 -4.85 117.00 114.77 1i41 n LEU 380 Ca -0.02 1.08 -0.01 0.00 -0.03 0.00 0.00 56.01 57.03 1i41 n LEU 380 Cb 0.55 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.21 1i41 n LEU 380 CO 0.42 -1.27 -0.70 0.29 -1.33 0.00 0.00 177.39 174.81 1i41 n LYS 381 N 0.23 1.88 -0.09 3.23 4.76 -1.26 -4.84 118.16 122.07 1i41 n LYS 381 Ca 0.09 -0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 1i41 n LYS 381 Cb 0.38 -1.20 -0.07 0.00 -1.84 0.00 0.00 35.03 32.30 1i41 n LYS 381 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1i41 h ILE 382 N 0.00 0.61 -4.22 -0.18 2.04 -1.96 -3.48 117.51 110.31 1i41 h ILE 382 Ca -0.13 -1.71 -0.51 0.00 1.00 0.00 0.00 64.86 63.51 1i41 h ILE 382 Cb 1.08 1.39 0.11 0.00 -0.74 0.00 0.00 36.82 38.67 1i41 h ILE 382 CO 0.01 0.21 0.36 -2.16 0.00 0.00 0.00 178.15 176.57 1i41 s PRO 383 N -2.26 2.69 0.02 2.37 0.04 -1.26 -4.75 135.00 131.85 1i41 s PRO 383 Ca -0.21 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.07 1i41 s PRO 383 Cb 0.03 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1i41 s PRO 383 CO 0.43 -1.33 0.35 0.71 0.04 0.00 0.00 177.00 177.20 1i41 s TYR 384 N -2.45 3.63 -0.51 0.56 2.02 -0.64 -4.82 117.35 115.14 1i41 s TYR 384 Ca 0.66 0.78 -0.23 0.00 -0.37 0.00 0.00 57.07 57.91 1i41 s TYR 384 Cb -0.20 -2.14 0.04 0.00 -0.40 0.00 0.00 41.96 39.26 1i41 s TYR 384 CO 0.44 0.60 0.83 0.42 -1.57 0.00 0.00 175.55 176.27 1i41 s ILE 385 N -1.24 4.57 0.03 2.71 1.01 -1.26 -0.27 121.20 126.75 1i41 s ILE 385 Ca 0.27 0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 1i41 s ILE 385 Cb -0.14 -4.42 0.10 0.00 0.01 0.00 0.00 42.46 38.00 1i41 s ILE 385 CO 0.15 -0.93 1.21 0.00 0.00 0.00 0.00 174.94 175.36 1i41 s ALA 386 N 3.48 -2.11 1.00 9.38 0.00 -0.51 -4.96 121.76 128.05 1i41 s ALA 386 Ca 0.27 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1i41 s ALA 386 Cb -0.14 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1i41 s ALA 386 CO 0.19 -1.07 0.00 -2.30 0.00 0.00 0.00 175.76 172.58 1i41 n PRO 387 N -0.56 0.81 -1.41 0.00 -0.02 -1.26 -4.43 135.00 128.13 1i41 n PRO 387 Ca -0.06 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.60 1i41 n PRO 387 Cb 0.62 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.03 1i41 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i41 n SER 388 N -0.39 -8.42 -3.64 2.55 2.88 -1.26 -4.95 113.62 100.38 1i41 n SER 388 Ca 0.00 0.91 0.02 0.00 -1.33 0.00 0.00 58.87 58.46 1i41 n SER 388 Cb 0.00 -4.48 -0.00 0.00 -0.75 0.00 0.00 64.21 58.98 1i41 n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i41 s PHE 389 N -3.00 -0.03 0.00 0.66 -0.12 -1.26 -4.93 117.98 109.30 1i41 s PHE 389 Ca 0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.80 1i41 s PHE 389 Cb 0.00 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 1i41 s PHE 389 CO 0.00 -0.29 0.00 0.41 -0.05 0.00 0.00 175.22 175.29 1i41 n GLY 390 N -0.55 0.80 3.94 1.99 0.00 -1.26 -4.30 105.19 105.81 1i41 n GLY 390 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.70 1.60 0.31 -0.02 0.00 -1.26 -4.30 107.32 101.96 1i41 s GLY 391 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.87 1i41 s GLY 391 CO 0.00 -0.68 1.82 0.00 0.00 0.00 0.00 173.10 174.24 1i41 s GLU 393 N -5.83 4.63 0.48 0.00 8.01 -1.26 -0.39 118.70 124.34 1i41 s GLU 393 Ca -0.11 1.74 -0.20 0.00 0.01 0.00 0.00 54.97 56.40 1i41 s GLU 393 Cb 0.23 -3.25 -0.09 0.00 -4.31 0.00 0.00 34.13 26.72 1i41 s GLU 393 CO 0.80 0.15 1.01 -1.12 0.01 0.00 0.00 175.26 176.11 1i41 s SER 394 N -0.45 6.51 0.01 -0.19 0.01 -1.26 -4.37 113.70 113.96 1i41 s SER 394 Ca 0.47 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1i41 s SER 394 Cb -0.30 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.37 1i41 s SER 394 CO 0.37 -0.66 -0.02 -0.63 0.41 0.00 0.00 173.24 172.70 1i41 s ILE 395 N -2.10 0.12 0.12 1.44 1.01 -0.70 -1.62 121.20 119.48 1i41 s ILE 395 Ca 0.65 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1i41 s ILE 395 Cb -0.14 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 1i41 s ILE 395 CO 0.19 -0.21 -0.10 0.68 0.00 0.00 0.00 174.94 175.50 1i41 s VAL 396 N -0.68 1.06 -0.11 2.92 -7.23 0.63 -0.92 120.40 116.07 1i41 s VAL 396 Ca -0.07 -1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 57.91 1i41 s VAL 396 Cb -0.05 -1.65 0.12 0.00 0.56 0.00 0.00 36.38 35.37 1i41 s VAL 396 CO -0.00 -0.67 1.02 1.51 -0.31 0.00 0.00 175.10 176.64 1i41 s ASP 397 N -2.86 -0.30 -0.89 4.85 -4.77 -1.13 -1.43 116.67 110.14 1i41 s ASP 397 Ca 0.12 0.15 -0.03 0.00 -3.30 0.00 0.00 52.55 49.49 1i41 s ASP 397 Cb 0.00 0.29 0.22 0.00 -1.09 0.00 0.00 42.92 42.34 1i41 s ASP 397 CO 0.00 -0.41 0.78 -1.58 0.70 0.00 0.00 175.17 174.65 1i41 s GLN 398 N -2.14 3.29 0.10 2.11 0.74 -1.26 -1.75 119.66 120.75 1i41 s GLN 398 Ca 0.04 -3.20 0.02 0.00 0.05 0.00 0.00 55.36 52.26 1i41 s GLN 398 Cb -0.01 -3.99 0.28 0.00 1.10 0.00 0.00 33.01 30.39 1i41 s GLN 398 CO -0.04 -1.26 0.49 -2.30 -0.55 0.00 0.00 175.29 171.64 1i41 n PRO 399 N 2.47 -0.02 -0.24 1.67 -0.02 -1.26 0.20 135.00 137.80 1i41 n PRO 399 Ca 0.20 0.47 0.03 0.00 -2.02 0.00 0.00 63.50 62.18 1i41 n PRO 399 Cb 0.37 -0.76 0.13 0.00 -0.02 0.00 0.00 33.50 33.22 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 0.63 0.67 0.00 3.55 0.00 -1.83 -0.10 119.26 122.19 1i41 h ALA 400 Ca 0.21 0.23 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 1i41 h ALA 400 Cb 0.45 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1i41 h ALA 400 CO -0.29 -0.42 -1.19 -0.89 0.00 0.00 0.00 179.25 176.46 1i41 n ILE 401 N -5.36 1.50 -0.38 0.00 5.41 0.54 -1.35 119.36 119.72 1i41 n ILE 401 Ca 0.11 0.01 0.31 0.00 1.00 0.00 0.00 62.75 64.18 1i41 n ILE 401 Cb 0.42 -2.15 0.60 0.00 -0.71 0.00 0.00 39.64 37.80 1i41 n ILE 401 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1i41 h MET 402 N -1.00 0.21 0.00 0.38 4.05 -0.87 -3.21 114.93 114.49 1i41 h MET 402 Ca -0.27 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.12 1i41 h MET 402 Cb 1.08 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 1i41 h MET 402 CO -0.16 0.14 -0.38 0.43 0.23 0.00 0.00 176.91 177.17 1i41 n SER 403 N -4.58 0.03 0.00 1.39 7.64 -0.08 -4.91 113.62 113.12 1i41 n SER 403 Ca 0.31 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.50 1i41 n SER 403 Cb 1.17 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 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 0.04 0.00 0.26 1.43 4.02 -1.03 -4.88 117.16 116.99 1i41 n TYR 404 Ca -0.01 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.05 1i41 n TYR 404 Cb 0.67 0.05 0.89 0.00 -0.02 0.00 0.00 39.34 40.93 1i41 n TYR 404 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1i41 h TRP 405 N 0.00 0.00 0.00 -0.72 2.91 -1.21 -0.65 115.95 116.28 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 0.79 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 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 -2.68 0.00 -4.78 2.65 5.75 -1.26 -4.78 116.55 111.46 1i41 n ASP 406 Ca -0.02 -0.29 -0.23 0.00 -0.01 0.00 0.00 54.79 54.24 1i41 n ASP 406 Cb 0.07 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 39.93 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 -2.34 3.22 0.49 -2.12 1.43 -0.25 -5.13 118.68 113.98 1i41 s LEU 407 Ca 0.25 -0.93 -0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1i41 s LEU 407 Cb 0.15 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1i41 s LEU 407 CO 0.30 -0.53 0.85 -0.94 0.23 0.00 0.00 176.35 176.26 1i41 s SER 408 N -3.96 6.36 0.40 2.29 1.04 -1.26 -4.85 113.70 113.72 1i41 s SER 408 Ca 0.42 1.15 0.16 0.00 0.48 0.00 0.00 55.95 58.17 1i41 s SER 408 Cb 0.01 -2.34 1.04 0.00 0.10 0.00 0.00 66.02 64.82 1i41 s SER 408 CO 0.24 -0.59 1.83 -0.61 0.98 0.00 0.00 173.24 175.09 1i41 h GLN 409 N 0.46 0.44 0.00 4.02 5.75 -1.97 0.25 115.11 124.07 1i41 h GLN 409 Ca -0.46 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 57.99 1i41 h GLN 409 Cb 1.19 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1i41 h GLN 409 CO 0.62 0.29 -0.07 0.66 -2.65 0.00 0.00 178.83 177.69 1i41 h SER 410 N 0.46 0.05 0.12 -0.69 4.64 -1.99 -2.91 113.55 113.23 1i41 h SER 410 Ca 0.51 -0.82 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1i41 h SER 410 Cb 1.19 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1i41 h SER 410 CO -0.22 0.86 -0.09 0.44 -0.87 0.00 0.00 176.83 176.95 1i41 h ASP 411 N -0.75 0.00 0.27 4.97 3.32 -1.75 -2.09 116.42 120.39 1i41 h ASP 411 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1i41 h ASP 411 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1i41 h ASP 411 CO 0.01 0.09 -0.13 0.03 -1.72 0.00 0.00 179.24 177.52 1i41 h ARG 412 N 0.00 -0.35 -0.03 3.56 3.08 -0.57 -2.72 114.38 117.35 1i41 h ARG 412 Ca -0.00 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1i41 h ARG 412 Cb 0.17 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1i41 h ARG 412 CO 0.01 -0.02 0.16 0.00 -1.07 0.00 0.00 179.97 179.05 1i41 h ALA 413 N -0.15 1.27 0.00 0.04 0.00 -1.24 -1.13 119.26 118.05 1i41 h ALA 413 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i41 h ALA 413 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1i41 h ALA 413 CO 0.06 -0.18 0.30 1.17 0.00 0.00 0.00 179.25 180.60 1i41 n LYS 414 N -3.14 0.09 -2.76 0.00 4.81 -0.83 -2.14 118.16 114.20 1i41 n LYS 414 Ca -0.02 0.57 -0.10 0.00 -0.87 0.00 0.00 58.31 57.89 1i41 n LYS 414 Cb 0.23 -2.09 0.03 0.00 0.02 0.00 0.00 35.03 33.22 1i41 n LYS 414 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1i41 n TYR 415 N -2.05 0.63 0.00 5.64 4.01 -0.43 -4.99 117.16 119.97 1i41 n TYR 415 Ca -0.01 -2.90 0.00 0.00 -0.16 0.00 0.00 57.90 54.83 1i41 n TYR 415 Cb 0.32 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.03 0.45 3.51 2.72 0.00 -0.91 -4.88 105.19 106.05 1i41 n GLY 416 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1i41 n GLY 416 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i41 n ILE 417 N -0.34 0.11 -4.16 -0.61 2.08 -1.25 -4.92 119.36 110.27 1i41 n ILE 417 Ca 0.00 -0.41 -0.22 0.00 0.56 0.00 0.00 62.75 62.68 1i41 n ILE 417 Cb 0.00 -1.97 -0.05 0.00 -0.75 0.00 0.00 39.64 36.86 1i41 n ILE 417 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1i41 s MET 418 N 7.17 2.75 0.31 0.38 -1.94 -1.26 -3.71 119.30 123.00 1i41 s MET 418 Ca 1.08 -1.16 0.25 0.00 -1.71 0.00 0.00 55.69 54.16 1i41 s MET 418 Cb -0.63 -2.45 1.08 0.00 2.01 0.00 0.00 34.83 34.83 1i41 s MET 418 CO 0.40 0.39 1.76 -0.44 -0.01 0.00 0.00 175.02 177.12 1i41 h ASP 419 N 1.60 0.00 0.19 3.03 5.19 -1.96 -2.70 116.42 121.76 1i41 h ASP 419 Ca -0.47 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 0.61 0.00 -1.76 0.78 -3.12 0.00 0.00 179.24 175.74 1i41 h ASN 420 N 0.00 0.62 -0.93 6.45 4.21 -1.86 -3.38 115.58 120.68 1i41 h ASN 420 Ca 0.00 -0.94 -0.80 0.00 1.21 0.00 0.00 56.30 55.76 1i41 h ASN 420 Cb 0.35 -0.20 0.02 0.00 -1.12 0.00 0.00 38.32 37.37 1i41 h ASN 420 CO 0.00 1.80 0.52 -0.11 -1.29 0.00 0.00 177.43 178.35 1i41 n LEU 421 N -3.60 0.89 -4.17 1.61 7.94 -1.02 -3.31 117.00 115.34 1i41 n LEU 421 Ca -0.25 1.11 -0.25 0.00 -1.11 0.00 0.00 56.01 55.51 1i41 n LEU 421 Cb 1.07 -0.83 -0.15 0.00 0.53 0.00 0.00 43.42 44.04 1i41 n LEU 421 CO 0.51 -1.00 -0.50 -0.69 -1.11 0.00 0.00 177.39 174.60 1i41 s VAL 422 N 2.21 1.40 -0.26 1.96 1.01 -0.23 -4.26 120.40 122.23 1i41 s VAL 422 Ca 0.95 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1i41 s VAL 422 Cb -1.36 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 33.90 1i41 s VAL 422 CO 0.72 0.35 -0.09 -0.60 0.00 0.00 0.00 175.10 175.48 1i41 s ARG 423 N -0.52 2.43 -0.25 2.72 3.52 -0.72 -0.91 118.95 125.23 1i41 s ARG 423 Ca 0.07 -1.23 -0.08 0.00 -0.13 0.00 0.00 55.73 54.36 1i41 s ARG 423 Cb -0.07 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1i41 s ARG 423 CO -0.00 -0.52 0.09 0.12 -0.81 0.00 0.00 175.30 174.17 1i41 s PHE 424 N 1.18 3.12 -0.66 5.12 2.19 0.16 -2.86 117.98 126.23 1i41 s PHE 424 Ca -0.06 -0.29 -0.08 0.00 0.33 0.00 0.00 56.93 56.83 1i41 s PHE 424 Cb -0.19 -2.25 0.17 0.00 -1.31 0.00 0.00 43.02 39.45 1i41 s PHE 424 CO -0.05 -0.28 0.53 0.45 1.83 0.00 0.00 175.22 177.70 1i41 s SER 425 N 1.53 5.87 0.19 6.13 0.15 -0.10 0.12 113.70 127.59 1i41 s SER 425 Ca 0.06 -2.59 -0.32 0.00 0.70 0.00 0.00 55.95 53.79 1i41 s SER 425 Cb -0.15 -2.01 -0.12 0.00 -1.71 0.00 0.00 66.02 62.02 1i41 s SER 425 CO 0.05 -0.51 1.70 0.49 1.20 0.00 0.00 173.24 176.17 1i41 n PHE 426 N 3.97 2.63 0.00 3.44 3.72 -0.54 -1.72 117.46 128.96 1i41 n PHE 426 Ca 0.06 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1i41 n PHE 426 Cb 0.42 -2.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.31 1i41 n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i41 n GLY 427 N 3.87 0.18 0.00 1.37 0.00 -1.26 -4.80 105.19 104.56 1i41 n GLY 427 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.75 1.61 0.31 0.48 -4.54 118.33 115.44 1i41 n VAL 428 Ca 0.00 -0.06 -0.32 0.00 -0.01 0.00 0.00 64.34 63.95 1i41 n VAL 428 Cb 0.00 1.85 0.14 0.00 -0.91 0.00 0.00 33.84 34.92 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 -0.00 -0.66 -1.75 5.55 4.71 -1.26 -4.83 120.64 122.40 1i41 n GLU 429 Ca 0.00 -0.15 -0.42 0.00 -0.01 0.00 0.00 57.16 56.58 1i41 n GLU 429 Cb 0.21 -1.88 -0.01 0.00 -1.01 0.00 0.00 31.44 28.75 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 -1.77 3.67 0.00 1.62 2.03 -1.26 -4.85 116.55 115.98 1i41 n ASP 430 Ca 0.06 1.18 -0.06 0.00 0.52 0.00 0.00 54.79 56.49 1i41 n ASP 430 Cb 0.55 -1.58 -0.04 0.00 -0.72 0.00 0.00 41.12 39.33 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 3.85 -0.65 -0.87 -0.67 3.57 -1.99 -1.50 116.94 118.68 1i41 h PHE 431 Ca -0.48 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.20 1i41 h PHE 431 Cb 1.24 0.29 -0.16 0.00 2.79 0.00 0.00 35.95 40.11 1i41 h PHE 431 CO 0.55 -0.22 -0.28 -0.44 -2.23 0.00 0.00 178.31 175.69 1i41 h ASP 432 N -0.24 -1.04 -0.73 0.41 3.32 -1.99 0.65 116.42 116.81 1i41 h ASP 432 Ca 0.01 0.27 0.14 0.00 0.02 0.00 0.00 57.03 57.47 1i41 h ASP 432 Cb 0.28 0.61 -0.09 0.00 0.22 0.00 0.00 39.33 40.34 1i41 h ASP 432 CO -0.17 -0.29 0.27 0.44 -1.72 0.00 0.00 179.24 177.77 1i41 h ASP 433 N -0.03 0.24 0.31 6.45 3.32 -1.80 0.36 116.42 125.26 1i41 h ASP 433 Ca 0.37 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.52 1i41 h ASP 433 Cb 0.62 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1i41 h ASP 433 CO -0.90 0.09 -0.15 -0.07 -1.72 0.00 0.00 179.24 176.50 1i41 h LEU 434 N 0.42 -0.35 -0.28 1.55 3.38 0.12 -2.94 115.31 117.20 1i41 h LEU 434 Ca 0.40 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1i41 h LEU 434 Cb 0.60 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 1i41 h LEU 434 CO -0.40 0.03 -0.26 0.50 0.09 0.00 0.00 178.44 178.40 1i41 h LYS 435 N -0.78 -0.24 -0.87 1.13 3.64 -0.25 0.22 116.57 119.42 1i41 h LYS 435 Ca -0.04 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.49 1i41 h LYS 435 Cb 0.51 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 1i41 h LYS 435 CO 0.07 -0.16 0.47 0.00 -2.27 0.00 0.00 179.45 177.56 1i41 h ALA 436 N 0.80 1.31 0.68 5.00 0.00 -1.02 0.12 119.26 126.15 1i41 h ALA 436 Ca 0.15 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1i41 h ALA 436 Cb 0.48 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1i41 h ALA 436 CO -0.42 -0.03 -0.33 0.22 0.00 0.00 0.00 179.25 178.69 1i41 h ASP 437 N 0.69 -0.77 -0.71 0.00 3.58 -0.90 -0.22 116.42 118.09 1i41 h ASP 437 Ca 0.46 0.03 0.15 0.00 0.42 0.00 0.00 57.03 58.09 1i41 h ASP 437 Cb 0.61 0.20 -0.13 0.00 1.72 0.00 0.00 39.33 41.74 1i41 h ASP 437 CO -0.34 -0.54 -0.07 0.40 -2.88 0.00 0.00 179.24 175.81 1i41 h ILE 438 N -0.94 0.34 0.30 2.25 2.04 -0.50 -0.81 117.51 120.18 1i41 h ILE 438 Ca -0.09 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1i41 h ILE 438 Cb 0.70 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1i41 h ILE 438 CO 0.15 0.01 -0.20 -0.07 0.00 0.00 0.00 178.15 178.05 1i41 h LEU 439 N 0.06 -0.50 -0.81 1.44 3.38 -0.73 -1.28 115.31 116.87 1i41 h LEU 439 Ca 0.37 0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.67 1i41 h LEU 439 Cb 0.61 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.36 1i41 h LEU 439 CO -0.67 -0.29 0.32 1.67 0.09 0.00 0.00 178.44 179.55 1i41 n GLN 440 N -3.49 -0.05 0.29 1.13 0.00 -0.10 -0.31 117.38 114.86 1i41 n GLN 440 Ca -0.06 1.15 -0.14 0.00 -0.00 0.00 0.00 57.00 57.95 1i41 n GLN 440 Cb 0.20 -1.99 -0.07 0.00 0.00 0.00 0.00 30.24 28.38 1i41 n GLN 440 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1i41 h ALA 441 N 1.62 -0.77 -0.20 1.69 0.00 -0.69 -2.99 119.26 117.92 1i41 h ALA 441 Ca 0.63 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.41 1i41 h ALA 441 Cb 1.59 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1i41 h ALA 441 CO -0.66 -0.77 0.33 -0.07 0.00 0.00 0.00 179.25 178.08 1i41 h LEU 442 N -1.11 0.00 -1.20 0.00 3.38 0.51 0.77 115.31 117.66 1i41 h LEU 442 Ca -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1i41 h LEU 442 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1i41 h LEU 442 CO 0.13 0.00 -0.39 -0.78 0.09 0.00 0.00 178.44 177.49 1i41 h ASP 443 N 0.00 0.02 -0.15 -0.43 3.58 -0.92 -2.80 116.42 115.73 1i41 h ASP 443 Ca 0.10 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1i41 h ASP 443 Cb 0.75 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1i41 h ASP 443 CO -0.00 0.41 0.03 -1.20 -2.88 0.00 0.00 179.24 175.60 1i41 n SER 444 N -4.07 2.26 0.00 2.28 7.64 0.26 -5.11 113.62 116.89 1i41 n SER 444 Ca -0.02 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.63 1i41 n SER 444 Cb 0.42 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1i41 n SER 444 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65