#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i41 s ALA 51 N 0.00 0.04 0.00 2.98 0.00 -1.26 -5.09 121.76 118.43 1i41 s ALA 51 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 1i41 s ALA 51 Cb 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 23.12 23.24 1i41 s ALA 51 CO 0.00 -0.34 1.10 0.66 0.00 0.00 0.00 175.76 177.18 1i41 h SER 52 N 3.54 -0.53 0.01 0.00 4.64 -2.06 -3.22 113.55 115.93 1i41 h SER 52 Ca -0.33 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1i41 h SER 52 Cb 1.18 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1i41 h SER 52 CO 0.53 -0.14 0.00 2.22 -0.87 0.00 0.00 176.83 178.57 1i41 n PHE 53 N -5.23 0.00 -4.03 4.77 1.16 -1.26 -4.25 117.46 108.62 1i41 n PHE 53 Ca -0.10 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.15 1i41 n PHE 53 Cb 0.30 -0.13 -0.15 0.00 -1.61 0.00 0.00 39.48 37.89 1i41 n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i41 s LEU 54 N -2.27 3.61 -0.18 5.98 1.43 -1.22 -4.96 118.68 121.08 1i41 s LEU 54 Ca 0.02 -1.40 -0.06 0.00 -1.03 0.00 0.00 54.13 51.66 1i41 s LEU 54 Cb 0.01 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.55 1i41 s LEU 54 CO 0.02 -0.21 -0.21 0.59 0.23 0.00 0.00 176.35 176.76 1i41 n ASN 55 N 4.47 1.75 -4.77 2.29 3.02 -1.26 -4.66 115.26 116.10 1i41 n ASN 55 Ca -0.13 0.12 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 1i41 n ASN 55 Cb 0.42 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1i41 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i41 s SER 56 N -6.33 6.02 0.11 6.41 0.15 -1.26 -4.94 113.70 113.86 1i41 s SER 56 Ca -0.25 2.48 -0.25 0.00 0.70 0.00 0.00 55.95 58.63 1i41 s SER 56 Cb 0.09 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.68 1i41 s SER 56 CO 0.35 -1.03 1.68 0.44 1.20 0.00 0.00 173.24 175.87 1i41 h ASP 57 N 2.08 -0.42 -0.67 5.45 3.32 -1.99 -2.58 116.42 121.62 1i41 h ASP 57 Ca -0.50 0.05 0.13 0.00 0.02 0.00 0.00 57.03 56.74 1i41 h ASP 57 Cb 1.26 0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.84 1i41 h ASP 57 CO 0.60 -0.22 -0.20 1.23 -1.72 0.00 0.00 179.24 178.93 1i41 h GLY 58 N -0.30 0.37 1.01 2.75 0.00 -1.99 0.38 103.07 105.29 1i41 h GLY 58 Ca 0.03 0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.67 1i41 h GLY 58 CO -0.09 -0.25 0.54 1.76 0.00 0.00 0.00 176.54 178.50 1i41 h SER 59 N -0.03 0.84 0.64 0.19 0.02 -1.89 -2.62 113.55 110.69 1i41 h SER 59 Ca 0.31 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1i41 h SER 59 Cb 0.51 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1i41 h SER 59 CO -0.70 0.56 -0.31 0.58 -1.14 0.00 0.00 176.83 175.82 1i41 h VAL 60 N 0.97 0.00 -1.70 2.27 2.07 -0.02 -2.31 116.25 117.53 1i41 h VAL 60 Ca 0.34 -0.24 0.50 0.00 0.82 0.00 0.00 66.70 68.12 1i41 h VAL 60 Cb 0.13 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.82 1i41 h VAL 60 CO -0.11 0.00 1.21 0.00 0.02 0.00 0.00 177.57 178.69 1i41 n ALA 61 N -2.62 1.64 -0.06 1.67 0.00 0.52 0.15 120.51 121.82 1i41 n ALA 61 Ca -0.11 0.61 -0.02 0.00 0.00 0.00 0.00 53.44 53.93 1i41 n ALA 61 Cb 0.34 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.32 0.00 2.04 -1.30 -3.40 117.51 114.53 1i41 h ILE 62 Ca 0.83 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1i41 h ILE 62 Cb 3.27 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1i41 h ILE 62 CO -0.06 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.50 1i41 n HIS 63 N -4.64 0.41 -1.78 1.37 8.25 -0.42 -4.91 115.22 113.51 1i41 n HIS 63 Ca -0.02 -0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 56.81 1i41 n HIS 63 Cb 0.09 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1i41 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i41 s ALA 64 N -1.59 3.61 -1.04 -1.41 0.00 0.39 -2.24 121.76 119.48 1i41 s ALA 64 Ca 0.35 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 1i41 s ALA 64 Cb 0.20 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1i41 s ALA 64 CO 0.28 -1.47 0.55 0.41 0.00 0.00 0.00 175.76 175.53 1i41 n GLY 65 N 4.38 -0.13 2.04 0.00 0.00 -1.26 -4.23 105.19 105.98 1i41 n GLY 65 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.22 0.00 -0.38 1.61 1.02 -0.95 -4.76 120.64 113.95 1i41 n GLU 66 Ca -0.05 0.00 0.30 0.00 -0.02 0.00 0.00 57.16 57.39 1i41 n GLU 66 Cb 0.57 0.00 0.59 0.00 -0.02 0.00 0.00 31.44 32.58 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 0.21 0.11 3.49 9.65 -1.82 -1.20 114.38 124.82 1i41 h ARG 67 Ca 0.00 -0.01 -0.32 0.00 -1.10 0.00 0.00 59.98 58.55 1i41 h ARG 67 Cb 0.00 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1i41 h ARG 67 CO 0.00 0.14 -1.64 -0.07 2.80 0.00 0.00 179.97 181.20 1i41 h LEU 68 N 0.22 0.38 0.00 3.80 3.38 -1.92 -3.50 115.31 117.67 1i41 h LEU 68 Ca 0.71 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i41 h LEU 68 Cb 2.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1i41 h LEU 68 CO -0.35 1.50 0.00 0.61 0.09 0.00 0.00 178.44 180.29 1i41 n GLY 69 N 1.72 1.07 0.00 0.83 0.00 -0.45 -5.07 105.19 103.29 1i41 n GLY 69 Ca -0.20 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1i41 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i41 n ARG 70 N -0.23 2.45 0.00 1.61 1.74 -1.26 -3.78 116.66 117.19 1i41 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1i41 n ARG 70 Cb 0.00 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i41 n GLY 71 N 1.56 1.45 2.45 -0.13 0.00 -1.26 -4.91 105.19 104.34 1i41 n GLY 71 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1i41 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i41 n ILE 72 N -2.00 1.30 -1.25 -0.61 3.06 -1.26 -5.09 119.36 113.50 1i41 n ILE 72 Ca 0.00 -4.76 -0.49 0.00 -2.50 0.00 0.00 62.75 55.00 1i41 n ILE 72 Cb 0.00 -2.05 -0.07 0.00 0.54 0.00 0.00 39.64 38.06 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 1.32 0.00 -3.61 9.51 0.31 -1.26 -4.98 118.33 119.62 1i41 n VAL 73 Ca 0.26 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1i41 n VAL 73 Cb 0.43 -0.16 -0.07 0.00 -0.91 0.00 0.00 33.84 33.14 1i41 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i41 s THR 74 N 0.96 0.00 -0.43 2.52 -4.23 -1.26 -5.00 115.64 108.19 1i41 s THR 74 Ca 0.75 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 1i41 s THR 74 Cb -1.06 -1.00 0.37 0.00 1.34 0.00 0.00 72.50 72.15 1i41 s THR 74 CO 0.52 0.00 1.28 -0.90 -0.54 0.00 0.00 174.62 174.98 1i41 n ASP 75 N 2.04 3.37 -4.88 3.99 5.75 -1.26 -4.87 116.55 120.70 1i41 n ASP 75 Ca -0.14 -2.62 -0.33 0.00 -0.01 0.00 0.00 54.79 51.69 1i41 n ASP 75 Cb 0.56 -0.63 -0.05 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.77 3.68 -0.03 2.12 0.00 -1.26 -5.03 121.76 119.48 1i41 s ALA 76 Ca 0.28 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 1i41 s ALA 76 Cb 0.22 -2.30 -0.17 0.00 0.00 0.00 0.00 23.12 20.87 1i41 s ALA 76 CO 0.07 0.57 1.05 0.82 0.00 0.00 0.00 175.76 178.27 1i41 h ILE 77 N 2.28 0.91 -3.90 0.00 2.04 -2.04 -3.46 117.51 113.34 1i41 h ILE 77 Ca -0.47 -0.99 -0.46 0.00 1.00 0.00 0.00 64.86 63.94 1i41 h ILE 77 Cb 1.17 1.45 0.08 0.00 -0.74 0.00 0.00 36.82 38.79 1i41 h ILE 77 CO 0.69 0.21 0.26 0.42 0.00 0.00 0.00 178.15 179.73 1i41 s THR 78 N -3.93 2.34 -0.01 -0.27 -4.23 -1.26 -4.99 115.64 103.28 1i41 s THR 78 Ca -0.14 -0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 59.90 1i41 s THR 78 Cb 0.01 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 1i41 s THR 78 CO 0.53 -0.04 0.86 -0.89 -0.54 0.00 0.00 174.62 174.54 1i41 s THR 79 N -3.28 4.90 0.10 3.99 2.01 -1.26 -5.03 115.64 117.07 1i41 s THR 79 Ca 0.60 1.80 -0.30 0.00 0.31 0.00 0.00 61.69 64.10 1i41 s THR 79 Cb -0.11 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 1i41 s THR 79 CO 0.45 0.22 1.16 -2.84 -0.69 0.00 0.00 174.62 172.93 1i41 s PRO 80 N 0.79 4.48 -0.42 4.92 0.02 -1.26 -4.98 135.00 138.55 1i41 s PRO 80 Ca 0.45 1.76 -0.29 0.00 0.02 0.00 0.00 61.00 62.94 1i41 s PRO 80 Cb -0.20 -3.32 0.02 0.00 0.02 0.00 0.00 34.50 31.02 1i41 s PRO 80 CO 0.24 -0.15 1.18 0.08 -0.33 0.00 0.00 177.00 178.03 1i41 s VAL 81 N 0.60 4.22 -0.48 3.83 1.01 -1.26 -4.50 120.40 123.82 1i41 s VAL 81 Ca 0.55 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.64 1i41 s VAL 81 Cb -0.29 -4.47 0.05 0.00 0.00 0.00 0.00 36.38 31.67 1i41 s VAL 81 CO 0.31 -0.82 0.57 -0.69 0.00 0.00 0.00 175.10 174.48 1i41 s VAL 82 N 4.43 4.95 -1.16 2.92 1.01 -1.26 -4.99 120.40 126.29 1i41 s VAL 82 Ca 0.50 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 1i41 s VAL 82 Cb -0.10 -4.23 0.24 0.00 0.00 0.00 0.00 36.38 32.30 1i41 s VAL 82 CO 0.28 -0.69 1.34 0.59 0.00 0.00 0.00 175.10 176.61 1i41 n ASN 83 N 5.97 5.54 -4.16 3.32 3.02 -1.26 -4.77 115.26 122.92 1i41 n ASN 83 Ca -0.07 -3.09 -0.18 0.00 -0.03 0.00 0.00 54.58 51.22 1i41 n ASN 83 Cb 0.46 -1.43 -0.12 0.00 -0.61 0.00 0.00 39.78 38.08 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 -0.56 1.07 -1.76 3.41 -1.32 -1.26 -5.02 115.64 110.20 1i41 s THR 84 Ca 0.35 -1.31 0.21 0.00 -1.21 0.00 0.00 61.69 59.74 1i41 s THR 84 Cb -0.04 -1.05 -0.05 0.00 -1.51 0.00 0.00 72.50 69.85 1i41 s THR 84 CO -0.02 -0.25 1.02 -1.54 -2.21 0.00 0.00 174.62 171.62 1i41 n SER 85 N 1.26 1.78 -3.55 8.08 3.41 -1.26 -4.75 113.62 118.58 1i41 n SER 85 Ca -0.21 -1.39 -0.08 0.00 -0.26 0.00 0.00 58.87 56.93 1i41 n SER 85 Cb 0.54 0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 65.05 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 -2.50 -1.76 -0.00 7.33 0.00 -1.26 -2.85 121.76 120.72 1i41 s ALA 86 Ca 0.16 0.76 0.08 0.00 0.00 0.00 0.00 51.96 52.96 1i41 s ALA 86 Cb 0.17 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1i41 s ALA 86 CO 0.60 -0.78 -0.25 0.71 0.00 0.00 0.00 175.76 176.05 1i41 s TYR 87 N -3.22 2.26 0.58 0.00 1.51 0.02 -4.92 117.35 113.57 1i41 s TYR 87 Ca 0.06 -0.42 0.09 0.00 -1.01 0.00 0.00 57.07 55.79 1i41 s TYR 87 Cb -0.01 -1.43 0.09 0.00 -0.11 0.00 0.00 41.96 40.50 1i41 s TYR 87 CO -0.07 0.01 0.77 1.97 -1.11 0.00 0.00 175.55 177.11 1i41 n PHE 88 N 2.27 -2.14 -4.09 2.71 1.16 -1.26 -4.71 117.46 111.40 1i41 n PHE 88 Ca -0.16 -2.13 -0.12 0.00 -1.87 0.00 0.00 57.45 53.16 1i41 n PHE 88 Cb 0.51 -0.54 -0.11 0.00 -1.61 0.00 0.00 39.48 37.73 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 -2.60 0.71 -0.30 2.97 0.40 -1.26 -5.04 117.98 112.86 1i41 s PHE 89 Ca 0.58 -0.61 0.20 0.00 -0.60 0.00 0.00 56.93 56.50 1i41 s PHE 89 Cb -0.05 -0.43 0.19 0.00 0.51 0.00 0.00 43.02 43.25 1i41 s PHE 89 CO 0.37 -0.11 1.48 -0.91 0.70 0.00 0.00 175.22 176.75 1i41 h ASN 90 N 4.12 0.00 -3.84 1.36 2.35 -2.00 -3.47 115.58 114.09 1i41 h ASN 90 Ca -0.36 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.51 1i41 h ASN 90 Cb 1.19 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.32 1i41 h ASN 90 CO 0.47 0.22 0.63 -1.59 -1.65 0.00 0.00 177.43 175.51 1i41 s LYS 91 N -3.11 0.47 0.31 0.81 -2.85 -1.26 -5.03 119.74 109.08 1i41 s LYS 91 Ca 0.05 0.14 0.06 0.00 -1.00 0.00 0.00 55.97 55.22 1i41 s LYS 91 Cb 0.06 0.22 0.84 0.00 -2.06 0.00 0.00 37.83 36.90 1i41 s LYS 91 CO 0.71 -0.14 1.65 1.15 0.10 0.00 0.00 175.35 178.82 1i41 h THR 92 N 2.50 0.29 -0.52 3.79 2.02 -1.99 0.12 112.91 119.12 1i41 h THR 92 Ca -0.17 -0.08 0.09 0.00 0.77 0.00 0.00 66.41 67.02 1i41 h THR 92 Cb 1.17 0.04 -0.10 0.00 -1.74 0.00 0.00 68.15 67.51 1i41 h THR 92 CO 0.28 0.04 -0.40 -1.28 0.37 0.00 0.00 175.52 174.53 1i41 h SER 93 N 0.23 -1.37 0.25 4.18 0.87 -2.00 0.34 113.55 116.05 1i41 h SER 93 Ca 0.62 0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 61.40 1i41 h SER 93 Cb 1.31 0.63 -0.00 0.00 -0.44 0.00 0.00 62.40 63.90 1i41 h SER 93 CO -0.65 -0.34 -0.13 -0.33 -0.53 0.00 0.00 176.83 174.85 1i41 h GLU 94 N -0.24 -0.34 -0.83 2.24 5.08 -1.39 -1.87 114.58 117.22 1i41 h GLU 94 Ca 0.18 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.75 1i41 h GLU 94 Cb 0.56 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.74 1i41 h GLU 94 CO -0.65 -0.23 -0.08 1.25 -1.00 0.00 0.00 179.01 178.30 1i41 h LEU 95 N -0.36 -0.56 0.11 1.33 5.85 -0.85 0.54 115.31 121.38 1i41 h LEU 95 Ca -0.03 0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1i41 h LEU 95 Cb 0.28 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1i41 h LEU 95 CO 0.04 -0.25 -0.24 0.40 -0.34 0.00 0.00 178.44 178.05 1i41 h ILE 96 N 0.04 0.46 -0.66 4.05 2.04 -0.52 0.05 117.51 122.97 1i41 h ILE 96 Ca 0.44 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.38 1i41 h ILE 96 Cb 0.76 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 37.19 1i41 h ILE 96 CO -0.79 0.00 -0.50 0.44 0.00 0.00 0.00 178.15 177.30 1i41 h ASP 97 N -0.44 -1.74 -0.29 1.72 3.32 0.79 0.44 116.42 120.21 1i41 h ASP 97 Ca 0.03 0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.42 1i41 h ASP 97 Cb 0.47 0.77 -0.07 0.00 0.22 0.00 0.00 39.33 40.72 1i41 h ASP 97 CO -0.14 -0.33 -0.17 0.15 -1.72 0.00 0.00 179.24 177.03 1i41 h PHE 98 N -0.21 -0.42 -0.24 4.55 3.57 -0.46 0.10 116.94 123.84 1i41 h PHE 98 Ca 0.16 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1i41 h PHE 98 Cb 0.54 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1i41 h PHE 98 CO -0.80 -0.24 0.17 0.87 -2.23 0.00 0.00 178.31 176.08 1i41 h LYS 99 N -0.13 0.01 -0.69 1.11 1.79 0.11 -0.02 116.57 118.74 1i41 h LYS 99 Ca 0.15 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1i41 h LYS 99 Cb 0.37 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1i41 h LYS 99 CO -0.38 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.39 1i41 n GLU 100 N -4.47 3.88 -3.72 3.15 1.02 0.13 -4.92 120.64 115.72 1i41 n GLU 100 Ca 0.03 -2.34 -0.26 0.00 -0.02 0.00 0.00 57.16 54.57 1i41 n GLU 100 Cb 0.32 -2.06 0.06 0.00 -0.02 0.00 0.00 31.44 29.73 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 0.47 -6.99 0.00 3.49 4.01 -0.02 -4.87 118.16 114.25 1i41 n LYS 101 Ca 0.21 0.74 0.03 0.00 -0.51 0.00 0.00 58.31 58.77 1i41 n LYS 101 Cb 0.95 -5.73 -0.03 0.00 -0.51 0.00 0.00 35.03 29.71 1i41 n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1i41 n ARG 102 N -4.86 4.90 -4.15 1.97 1.74 -0.31 -5.01 116.66 110.94 1i41 n ARG 102 Ca 0.01 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1i41 n ARG 102 Cb 0.55 -0.78 -0.10 0.00 -1.02 0.00 0.00 32.46 31.11 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 -1.48 0.83 -0.12 5.56 3.52 -1.24 -4.85 118.95 121.17 1i41 s ARG 103 Ca 0.02 -1.36 -0.00 0.00 -0.13 0.00 0.00 55.73 54.26 1i41 s ARG 103 Cb 0.04 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.50 1i41 s ARG 103 CO 0.22 -0.15 -0.11 0.00 -0.81 0.00 0.00 175.30 174.45 1i41 s ALA 104 N -3.88 2.73 -0.24 6.12 0.00 -1.26 -4.52 121.76 120.70 1i41 s ALA 104 Ca 0.16 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 1i41 s ALA 104 Cb 0.07 -1.23 0.12 0.00 0.00 0.00 0.00 23.12 22.08 1i41 s ALA 104 CO -0.03 0.33 1.01 0.45 0.00 0.00 0.00 175.76 177.52 1i41 s SER 105 N 0.06 -0.43 0.43 0.00 0.15 -1.26 -5.02 113.70 107.63 1i41 s SER 105 Ca -0.04 0.73 0.24 0.00 0.70 0.00 0.00 55.95 57.58 1i41 s SER 105 Cb -0.14 0.71 0.53 0.00 -1.71 0.00 0.00 66.02 65.41 1i41 s SER 105 CO 0.04 -0.22 1.67 -0.26 1.20 0.00 0.00 173.24 175.67 1i41 h PHE 106 N 3.70 0.00 0.00 3.44 0.04 -1.95 -3.47 116.94 118.70 1i41 h PHE 106 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1i41 h PHE 106 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1i41 h PHE 106 CO 0.31 0.11 0.00 -1.91 -0.60 0.00 0.00 178.31 176.22 1i41 n GLU 107 N -3.15 0.00 -4.21 1.51 2.13 -1.26 -4.47 120.64 111.19 1i41 n GLU 107 Ca 0.03 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.56 1i41 n GLU 107 Cb 0.52 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.13 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 2.78 0.44 4.31 5.04 -1.26 -0.80 117.35 127.85 1i41 s TYR 108 Ca 0.00 -0.14 0.10 0.00 -2.44 0.00 0.00 57.07 54.59 1i41 s TYR 108 Cb 0.00 -1.43 0.96 0.00 0.35 0.00 0.00 41.96 41.84 1i41 s TYR 108 CO 0.00 0.46 2.05 0.78 -1.34 0.00 0.00 175.55 177.50 1i41 h GLY 109 N 3.40 0.33 2.00 8.97 0.00 -1.75 -1.64 103.07 114.39 1i41 h GLY 109 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1i41 h GLY 109 CO 0.54 0.14 0.00 -2.13 0.00 0.00 0.00 176.54 175.09 1i41 n ARG 110 N -4.45 0.05 -0.03 4.80 0.63 -1.26 -2.58 116.66 113.81 1i41 n ARG 110 Ca 0.00 0.36 0.04 0.00 -0.92 0.00 0.00 57.85 57.34 1i41 n ARG 110 Cb 0.12 -1.60 -0.15 0.00 0.45 0.00 0.00 32.46 31.28 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 -1.69 0.00 0.00 -0.14 4.01 -0.62 -4.73 117.16 113.99 1i41 n TYR 111 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1i41 n TYR 111 Cb 0.13 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1i41 n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 112 N 1.53 0.93 3.31 2.72 0.00 -1.07 -5.02 105.19 107.58 1i41 n GLY 112 Ca -0.11 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.55 0.27 1.61 3.84 -1.26 -4.47 114.94 114.38 1i41 s ASN 113 Ca 0.00 0.94 -0.00 0.00 0.21 0.00 0.00 52.86 54.01 1i41 s ASN 113 Cb 0.00 0.83 0.53 0.00 -0.55 0.00 0.00 41.25 42.06 1i41 s ASN 113 CO 0.00 -0.19 1.80 1.55 -2.79 0.00 0.00 177.10 177.46 1i41 h PRO 114 N 6.97 0.76 0.00 0.43 0.13 -1.96 0.18 132.00 138.51 1i41 h PRO 114 Ca -0.35 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1i41 h PRO 114 Cb 1.19 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1i41 h PRO 114 CO 0.28 0.50 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 1i41 h THR 115 N 0.78 0.00 0.00 1.56 1.03 -1.89 -3.27 112.91 111.12 1i41 h THR 115 Ca 0.47 -0.46 -0.27 0.00 -0.01 0.00 0.00 66.41 66.14 1i41 h THR 115 Cb 0.57 1.36 -0.04 0.00 -1.07 0.00 0.00 68.15 68.98 1i41 h THR 115 CO -0.31 0.00 -1.46 0.41 -0.01 0.00 0.00 175.52 174.15 1i41 n THR 116 N -2.68 1.54 -0.42 0.00 -1.04 0.45 -4.22 114.28 107.90 1i41 n THR 116 Ca 0.02 -0.09 0.35 0.00 -2.04 0.00 0.00 64.05 62.29 1i41 n THR 116 Cb 0.32 -2.01 0.66 0.00 -1.82 0.00 0.00 70.33 67.48 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 -0.98 0.27 0.26 12.58 -1.51 -1.05 0.15 116.25 125.98 1i41 h VAL 117 Ca -0.40 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1i41 h VAL 117 Cb 1.36 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1i41 h VAL 117 CO -0.24 0.02 -0.24 0.58 -1.23 0.00 0.00 177.57 176.47 1i41 h VAL 118 N 0.13 0.00 -1.01 7.19 2.07 -1.73 0.18 116.25 123.09 1i41 h VAL 118 Ca 0.72 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.49 1i41 h VAL 118 Cb 2.40 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 1i41 h VAL 118 CO -0.23 0.00 0.67 0.25 0.02 0.00 0.00 177.57 178.27 1i41 h LEU 119 N -0.50 0.36 0.82 2.57 5.85 -0.95 0.16 115.31 123.63 1i41 h LEU 119 Ca -0.03 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1i41 h LEU 119 Cb 0.43 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.46 1i41 h LEU 119 CO -0.02 0.10 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.45 1i41 h GLU 120 N 0.34 -1.06 -0.90 1.25 5.08 -0.19 -2.01 114.58 117.08 1i41 h GLU 120 Ca 0.54 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 59.06 1i41 h GLU 120 Cb 1.49 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 30.92 1i41 h GLU 120 CO -0.21 -0.71 0.58 0.93 -1.00 0.00 0.00 179.01 178.60 1i41 h GLU 121 N -1.12 0.91 0.33 2.33 5.08 0.73 -0.68 114.58 122.16 1i41 h GLU 121 Ca -0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1i41 h GLU 121 Cb 0.85 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1i41 h GLU 121 CO 0.19 0.60 -0.38 -0.22 -1.00 0.00 0.00 179.01 178.20 1i41 h LYS 122 N 0.94 -0.69 -0.89 2.33 3.64 -0.64 -0.04 116.57 121.22 1i41 h LYS 122 Ca 0.41 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.91 1i41 h LYS 122 Cb 0.34 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 1i41 h LYS 122 CO -0.17 -0.46 0.55 0.82 -2.27 0.00 0.00 179.45 177.92 1i41 h ILE 123 N -0.72 1.02 -0.24 2.00 2.04 -1.06 -1.73 117.51 118.83 1i41 h ILE 123 Ca -0.04 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.54 1i41 h ILE 123 Cb 0.63 -0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 1i41 h ILE 123 CO -0.07 0.18 -0.38 0.28 0.00 0.00 0.00 178.15 178.16 1i41 h SER 124 N 0.98 -1.22 -0.22 1.72 0.02 -0.66 -0.69 113.55 113.47 1i41 h SER 124 Ca 0.40 0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.59 1i41 h SER 124 Cb 0.23 0.52 -0.07 0.00 0.14 0.00 0.00 62.40 63.22 1i41 h SER 124 CO -0.19 -0.38 -0.24 0.00 -1.14 0.00 0.00 176.83 174.88 1i41 h ALA 125 N 0.37 -0.14 -0.08 3.77 0.00 -0.17 0.33 119.26 123.34 1i41 h ALA 125 Ca 0.11 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1i41 h ALA 125 Cb 0.58 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1i41 h ALA 125 CO -0.45 -0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 177.83 1i41 h LEU 126 N -0.25 -0.73 0.00 0.00 3.38 -0.44 0.26 115.31 117.53 1i41 h LEU 126 Ca 0.13 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1i41 h LEU 126 Cb 0.45 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1i41 h LEU 126 CO -0.37 -0.19 0.00 -0.62 0.09 0.00 0.00 178.44 177.35 1i41 n GLU 127 N -3.77 0.44 -3.68 1.13 -0.58 -0.39 -4.83 120.64 108.96 1i41 n GLU 127 Ca -0.02 0.01 -0.24 0.00 -0.42 0.00 0.00 57.16 56.48 1i41 n GLU 127 Cb 0.15 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.58 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 -0.10 -0.48 4.00 0.62 0.00 0.92 -4.74 105.19 105.42 1i41 n GLY 128 Ca 0.11 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.36 4.16 -0.01 4.61 0.00 0.81 -4.97 121.76 122.99 1i41 s ALA 129 Ca 0.46 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 1i41 s ALA 129 Cb -0.21 -1.85 -0.28 0.00 0.00 0.00 0.00 23.12 20.78 1i41 s ALA 129 CO 0.77 -0.75 0.79 1.49 0.00 0.00 0.00 175.76 178.06 1i41 h GLU 130 N 0.15 0.26 -1.96 0.00 4.81 -1.83 -3.42 114.58 112.59 1i41 h GLU 130 Ca -0.39 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 58.39 1i41 h GLU 130 Cb 1.29 0.17 -0.19 0.00 0.63 0.00 0.00 28.75 30.64 1i41 h GLU 130 CO 0.46 1.12 0.32 0.45 -0.73 0.00 0.00 179.01 180.64 1i41 s SER 131 N -6.99 -0.55 0.08 1.04 0.15 -0.87 -4.82 113.70 101.74 1i41 s SER 131 Ca -0.11 0.52 0.05 0.00 0.70 0.00 0.00 55.95 57.11 1i41 s SER 131 Cb 0.07 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.81 1i41 s SER 131 CO 0.85 -0.56 -0.12 -0.89 1.20 0.00 0.00 173.24 173.72 1i41 s THR 132 N -1.48 1.04 0.08 6.45 2.01 -1.26 -1.24 115.64 121.23 1i41 s THR 132 Ca -0.06 -1.44 0.09 0.00 0.31 0.00 0.00 61.69 60.59 1i41 s THR 132 Cb -0.00 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1i41 s THR 132 CO 0.04 -0.36 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.16 1i41 s LEU 133 N -2.02 2.23 -0.17 4.42 2.96 0.17 -4.89 118.68 121.38 1i41 s LEU 133 Ca 0.01 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1i41 s LEU 133 Cb -0.07 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.57 1i41 s LEU 133 CO 0.02 0.16 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.31 1i41 s LEU 134 N -1.54 1.93 0.00 -0.68 1.43 -1.26 -0.82 118.68 117.74 1i41 s LEU 134 Ca 0.10 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1i41 s LEU 134 Cb -0.10 -1.25 0.07 0.00 0.03 0.00 0.00 46.19 44.94 1i41 s LEU 134 CO 0.03 -0.07 0.52 0.23 0.23 0.00 0.00 176.35 177.30 1i41 n MET 135 N 4.72 0.54 0.21 1.70 2.81 -0.89 -4.32 117.12 121.89 1i41 n MET 135 Ca -0.17 -1.77 0.11 0.00 -1.81 0.00 0.00 57.70 54.06 1i41 n MET 135 Cb 0.49 -0.24 0.22 0.00 -0.71 0.00 0.00 33.22 32.98 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 -0.05 0.93 -2.32 3.04 0.00 -1.20 -2.71 119.26 116.96 1i41 h ALA 136 Ca -0.18 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.74 1i41 h ALA 136 Cb 0.74 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.37 1i41 h ALA 136 CO 0.22 0.15 0.48 -1.54 0.00 0.00 0.00 179.25 178.56 1i41 s SER 137 N -6.20 -0.36 0.09 0.00 1.04 -1.26 -2.99 113.70 104.01 1i41 s SER 137 Ca 0.05 -0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.18 1i41 s SER 137 Cb 0.06 0.41 -0.10 0.00 0.10 0.00 0.00 66.02 66.49 1i41 s SER 137 CO 0.67 -0.67 1.41 1.23 0.98 0.00 0.00 173.24 176.86 1i41 h GLY 138 N 2.00 -1.21 -0.99 7.32 0.00 -1.83 -1.16 103.07 107.22 1i41 h GLY 138 Ca -0.23 0.67 0.33 0.00 0.00 0.00 0.00 47.33 48.10 1i41 h GLY 138 CO 0.31 -0.30 0.23 -0.33 0.00 0.00 0.00 176.54 176.44 1i41 h MET 139 N -0.47 0.01 0.12 4.80 2.86 -1.93 0.56 114.93 120.88 1i41 h MET 139 Ca 0.02 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1i41 h MET 139 Cb 0.52 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1i41 h MET 139 CO -0.30 0.00 -0.25 0.00 1.06 0.00 0.00 176.91 177.42 1i41 h ALA 141 N 0.29 -0.80 -0.32 0.00 0.00 0.58 0.11 119.26 119.13 1i41 h ALA 141 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1i41 h ALA 141 Cb 0.48 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1i41 h ALA 141 CO -0.15 -0.93 -0.29 0.66 0.00 0.00 0.00 179.25 178.55 1i41 h SER 142 N -0.45 -0.94 -0.19 0.00 4.64 -1.42 0.19 113.55 115.38 1i41 h SER 142 Ca 0.02 0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1i41 h SER 142 Cb 0.51 0.44 -0.04 0.00 -0.31 0.00 0.00 62.40 63.00 1i41 h SER 142 CO -0.29 -0.30 -0.28 0.74 -0.87 0.00 0.00 176.83 175.83 1i41 h THR 143 N -0.26 0.00 -0.11 2.95 2.02 -0.70 0.11 112.91 116.92 1i41 h THR 143 Ca 0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.38 1i41 h THR 143 Cb 0.51 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1i41 h THR 143 CO -0.47 0.00 -0.22 0.58 0.37 0.00 0.00 175.52 175.78 1i41 h VAL 144 N -0.21 0.45 -0.56 3.16 2.07 -0.49 -1.48 116.25 119.20 1i41 h VAL 144 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1i41 h VAL 144 Cb 0.31 0.45 -0.11 0.00 -1.52 0.00 0.00 31.29 30.42 1i41 h VAL 144 CO -0.29 0.00 -0.27 -0.03 0.02 0.00 0.00 177.57 177.00 1i41 h MET 145 N -0.29 -0.13 0.81 1.57 -1.53 -0.15 0.49 114.93 115.70 1i41 h MET 145 Ca 0.10 0.01 -0.04 0.00 -3.44 0.00 0.00 59.70 56.33 1i41 h MET 145 Cb 0.43 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.52 1i41 h MET 145 CO -0.28 -0.08 -0.44 -0.07 0.14 0.00 0.00 176.91 176.17 1i41 h LEU 146 N -0.13 -1.07 -1.98 3.39 3.38 -0.41 -0.54 115.31 117.94 1i41 h LEU 146 Ca 0.24 0.05 0.31 0.00 0.09 0.00 0.00 57.88 58.57 1i41 h LEU 146 Cb 0.52 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1i41 h LEU 146 CO -0.63 -0.71 0.79 -0.07 0.09 0.00 0.00 178.44 177.90 1i41 h LEU 147 N -1.15 0.00 0.12 1.67 3.38 -0.63 -0.69 115.31 118.00 1i41 h LEU 147 Ca -0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1i41 h LEU 147 Cb 0.90 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.67 1i41 h LEU 147 CO 0.15 0.00 -0.89 0.00 0.09 0.00 0.00 178.44 177.79 1i41 h ALA 148 N 1.44 -0.02 0.00 1.53 0.00 0.41 -3.42 119.26 119.20 1i41 h ALA 148 Ca 0.51 -0.77 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1i41 h ALA 148 Cb 2.07 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 1i41 h ALA 148 CO -0.01 0.45 -1.05 -0.07 0.00 0.00 0.00 179.25 178.57 1i41 h LEU 149 N -0.42 0.01 -8.99 0.00 3.38 -0.18 -3.46 115.31 105.65 1i41 h LEU 149 Ca -0.17 -0.61 -0.57 0.00 0.09 0.00 0.00 57.88 56.62 1i41 h LEU 149 Cb 1.61 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1i41 h LEU 149 CO 0.11 1.41 1.21 -0.69 0.09 0.00 0.00 178.44 180.58 1i41 s VAL 150 N -2.34 3.52 1.04 1.22 1.01 -0.36 -4.98 120.40 119.51 1i41 s VAL 150 Ca -0.27 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1i41 s VAL 150 Cb 0.04 -3.59 0.21 0.00 0.00 0.00 0.00 36.38 33.05 1i41 s VAL 150 CO 0.61 -0.30 1.07 -2.84 0.00 0.00 0.00 175.10 173.65 1i41 s PRO 151 N 5.14 0.08 0.27 2.72 0.02 -1.26 -4.80 135.00 137.16 1i41 s PRO 151 Ca 0.78 0.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.24 1i41 s PRO 151 Cb -0.26 -1.68 -0.10 0.00 0.02 0.00 0.00 34.50 32.48 1i41 s PRO 151 CO 0.32 -3.03 1.47 0.00 -0.33 0.00 0.00 177.00 175.43 1i41 s ALA 152 N -2.76 3.64 0.00 -1.55 0.00 -1.26 -1.91 121.76 117.93 1i41 s ALA 152 Ca 0.66 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1i41 s ALA 152 Cb -0.21 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1i41 s ALA 152 CO 0.60 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1i41 n GLY 153 N 2.07 0.54 3.64 0.00 0.00 0.88 -4.92 105.19 107.41 1i41 n GLY 153 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 1.58 0.11 -0.02 0.00 -0.80 -4.61 107.32 101.58 1i41 s GLY 154 Ca 0.00 -0.72 0.09 0.00 0.00 0.00 0.00 44.72 44.08 1i41 s GLY 154 CO 0.00 0.04 -0.18 -1.58 0.00 0.00 0.00 173.10 171.38 1i41 s HIS 155 N -3.04 2.54 0.05 1.90 5.65 -1.26 -1.59 115.29 119.54 1i41 s HIS 155 Ca 0.69 -0.26 0.02 0.00 0.25 0.00 0.00 55.06 55.76 1i41 s HIS 155 Cb -0.13 -1.36 -0.03 0.00 -1.18 0.00 0.00 32.58 29.88 1i41 s HIS 155 CO 0.56 0.37 -0.08 -1.50 -0.65 0.00 0.00 174.74 173.45 1i41 s ILE 156 N -1.12 0.57 -0.08 0.89 2.07 0.44 -0.82 121.20 123.15 1i41 s ILE 156 Ca 0.18 -1.19 0.02 0.00 -1.41 0.00 0.00 60.65 58.25 1i41 s ILE 156 Cb -0.11 -0.75 0.01 0.00 0.13 0.00 0.00 42.46 41.74 1i41 s ILE 156 CO 0.10 -0.44 -0.15 -0.69 -1.91 0.00 0.00 174.94 171.85 1i41 s VAL 157 N -1.66 1.36 0.38 4.00 1.01 -0.87 -0.75 120.40 123.88 1i41 s VAL 157 Ca -0.07 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1i41 s VAL 157 Cb -0.08 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1i41 s VAL 157 CO -0.00 0.41 0.22 0.42 0.00 0.00 0.00 175.10 176.14 1i41 s THR 158 N 0.70 0.24 0.62 3.92 -4.23 -0.76 -0.13 115.64 116.00 1i41 s THR 158 Ca -0.13 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.40 1i41 s THR 158 Cb -0.16 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.36 1i41 s THR 158 CO 0.03 0.00 0.86 0.42 -0.54 0.00 0.00 174.62 175.39 1i41 s THR 159 N -3.31 2.37 -0.07 3.99 -4.23 -1.25 -1.80 115.64 111.34 1i41 s THR 159 Ca 0.32 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 60.25 1i41 s THR 159 Cb 0.02 -2.65 -0.13 0.00 1.34 0.00 0.00 72.50 71.08 1i41 s THR 159 CO 0.22 0.00 1.01 0.71 -0.54 0.00 0.00 174.62 176.02 1i41 h THR 160 N -0.13 0.88 -0.70 3.99 1.35 -1.58 -3.36 112.91 113.36 1i41 h THR 160 Ca -0.37 -2.47 -0.39 0.00 -0.55 0.00 0.00 66.41 62.62 1i41 h THR 160 Cb 1.28 2.36 -0.15 0.00 -1.73 0.00 0.00 68.15 69.91 1i41 h THR 160 CO 0.44 0.50 0.38 0.47 -0.25 0.00 0.00 175.52 177.07 1i41 n ASP 161 N -3.08 6.44 -4.80 5.36 9.92 -1.26 -4.95 116.55 124.17 1i41 n ASP 161 Ca -0.07 -3.11 -0.30 0.00 -0.53 0.00 0.00 54.79 50.78 1i41 n ASP 161 Cb 0.88 -1.14 0.08 0.00 -0.64 0.00 0.00 41.12 40.31 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 -3.10 3.71 0.00 0.00 5.04 -1.26 -4.88 117.35 116.86 1i41 s TYR 163 Ca 0.60 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.93 1i41 s TYR 163 Cb -0.15 -3.14 0.00 0.00 0.35 0.00 0.00 41.96 39.02 1i41 s TYR 163 CO 0.55 -0.11 0.06 -2.13 -1.34 0.00 0.00 175.55 172.57 1i41 n ARG 164 N 3.05 0.00 -0.02 4.97 3.00 -1.26 -1.42 116.66 124.97 1i41 n ARG 164 Ca 0.04 0.06 -0.10 0.00 -0.00 0.00 0.00 57.85 57.85 1i41 n ARG 164 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 32.46 32.79 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 -0.32 -0.98 -0.14 6.56 -1.97 -0.41 116.57 119.30 1i41 h LYS 165 Ca 0.00 0.02 0.33 0.00 -1.06 0.00 0.00 60.65 59.94 1i41 h LYS 165 Cb 0.00 0.07 -0.16 0.00 -0.57 0.00 0.00 32.23 31.58 1i41 h LYS 165 CO 0.00 -0.21 0.48 1.15 -2.06 0.00 0.00 179.45 178.81 1i41 h THR 166 N -0.33 0.22 0.35 -0.16 2.02 -1.66 0.60 112.91 113.95 1i41 h THR 166 Ca 0.11 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1i41 h THR 166 Cb 0.51 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1i41 h THR 166 CO -0.37 0.04 -0.19 -0.09 0.37 0.00 0.00 175.52 175.28 1i41 h ARG 167 N 0.22 -0.48 -0.96 6.66 9.65 0.12 -3.04 114.38 126.55 1i41 h ARG 167 Ca 0.73 0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.80 1i41 h ARG 167 Cb 1.70 0.11 -0.16 0.00 -1.39 0.00 0.00 29.97 30.23 1i41 h ARG 167 CO -0.67 -0.32 -0.34 -0.89 2.80 0.00 0.00 179.97 180.55 1i41 n ILE 168 N -3.45 -0.48 -0.06 1.20 5.41 0.13 -0.76 119.36 121.35 1i41 n ILE 168 Ca -0.06 2.23 -0.08 0.00 1.00 0.00 0.00 62.75 65.84 1i41 n ILE 168 Cb 0.20 -2.99 -0.01 0.00 -0.71 0.00 0.00 39.64 36.13 1i41 n ILE 168 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1i41 h PHE 169 N 0.00 -0.62 0.00 1.39 3.57 -1.37 0.59 116.94 120.49 1i41 h PHE 169 Ca 0.36 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 1i41 h PHE 169 Cb 0.60 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1i41 h PHE 169 CO -0.82 -0.31 -0.09 0.82 -2.23 0.00 0.00 178.31 175.69 1i41 h ILE 170 N -0.23 0.93 0.00 1.41 2.04 -0.82 0.17 117.51 121.00 1i41 h ILE 170 Ca 0.14 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1i41 h ILE 170 Cb 0.45 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1i41 h ILE 170 CO -0.40 0.08 -1.26 -0.62 0.00 0.00 0.00 178.15 175.95 1i41 n GLU 171 N -4.25 0.62 -0.01 2.37 1.02 -0.24 -4.26 120.64 115.89 1i41 n GLU 171 Ca -0.03 0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1i41 n GLU 171 Cb 0.17 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 29.81 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 -2.61 0.16 -0.07 2.62 -2.24 0.19 -4.72 114.28 107.61 1i41 n THR 172 Ca -0.02 -0.08 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 1i41 n THR 172 Cb 0.59 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.07 -0.96 2.28 1.08 -1.12 -3.39 117.51 115.46 1i41 h ILE 173 Ca -0.06 -1.09 0.29 0.00 -0.39 0.00 0.00 64.86 63.60 1i41 h ILE 173 Cb 1.12 0.17 -0.14 0.00 -3.07 0.00 0.00 36.82 34.89 1i41 h ILE 173 CO -0.00 0.02 0.46 -0.07 -0.69 0.00 0.00 178.15 177.87 1i41 h LEU 174 N -1.00 0.37 -2.06 1.44 3.38 -1.66 0.59 115.31 116.36 1i41 h LEU 174 Ca -0.03 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1i41 h LEU 174 Cb 0.56 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1i41 h LEU 174 CO -0.02 -0.12 0.21 1.55 0.09 0.00 0.00 178.44 180.16 1i41 h PRO 175 N 0.31 0.00 -0.14 1.13 0.13 -1.74 1.00 132.00 132.69 1i41 h PRO 175 Ca 0.67 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.84 1i41 h PRO 175 Cb 1.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.57 1i41 h PRO 175 CO -0.61 0.00 0.11 0.87 -0.23 0.00 0.00 178.00 178.14 1i41 h LYS 176 N 0.00 0.00 -0.59 0.86 1.57 -0.01 0.85 116.57 119.25 1i41 h LYS 176 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1i41 h LYS 176 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1i41 h LYS 176 CO -0.00 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.55 1i41 n MET 177 N -4.32 2.65 -1.18 3.15 2.81 0.29 -4.89 117.12 115.64 1i41 n MET 177 Ca 0.00 -2.09 -0.06 0.00 -1.81 0.00 0.00 57.70 53.74 1i41 n MET 177 Cb 0.24 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 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 1.19 0.81 3.58 3.03 0.00 0.29 -0.08 105.19 114.01 1i41 n GLY 178 Ca 0.19 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.04 4.42 0.26 -0.61 1.01 -0.87 -3.32 121.20 120.04 1i41 s ILE 179 Ca 0.00 0.88 -0.04 0.00 0.00 0.00 0.00 60.65 61.49 1i41 s ILE 179 Cb 0.00 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1i41 s ILE 179 CO 0.00 -0.85 0.50 0.28 0.00 0.00 0.00 174.94 174.87 1i41 s THR 180 N 3.89 5.08 0.09 2.92 -1.32 -0.62 -3.62 115.64 122.05 1i41 s THR 180 Ca 0.39 -0.05 0.03 0.00 -1.21 0.00 0.00 61.69 60.85 1i41 s THR 180 Cb -0.10 -3.73 -0.04 0.00 -1.51 0.00 0.00 72.50 67.13 1i41 s THR 180 CO 0.27 -0.26 -0.09 0.00 -2.21 0.00 0.00 174.62 172.33 1i41 s ALA 181 N -2.00 0.98 -0.11 11.08 0.00 -1.26 -0.42 121.76 130.03 1i41 s ALA 181 Ca 0.42 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1i41 s ALA 181 Cb -0.11 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1i41 s ALA 181 CO 0.29 -0.08 -0.22 0.99 0.00 0.00 0.00 175.76 176.74 1i41 s THR 182 N -2.53 1.98 -0.37 0.00 2.01 0.07 -4.94 115.64 111.87 1i41 s THR 182 Ca 0.04 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 1i41 s THR 182 Cb -0.02 -1.73 0.04 0.00 0.01 0.00 0.00 72.50 70.80 1i41 s THR 182 CO -0.01 0.54 0.17 -0.69 -0.69 0.00 0.00 174.62 173.94 1i41 s VAL 183 N 0.54 4.16 0.34 3.82 1.01 -1.26 -1.82 120.40 127.18 1i41 s VAL 183 Ca -0.14 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 60.83 1i41 s VAL 183 Cb -0.17 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1i41 s VAL 183 CO 0.05 -0.27 0.18 0.27 0.00 0.00 0.00 175.10 175.33 1i41 s ILE 184 N 1.46 3.19 0.33 2.22 -4.36 -0.75 -4.86 121.20 118.44 1i41 s ILE 184 Ca 0.01 -1.61 -0.26 0.00 -0.26 0.00 0.00 60.65 58.53 1i41 s ILE 184 Cb -0.20 -3.04 -0.10 0.00 1.25 0.00 0.00 42.46 40.37 1i41 s ILE 184 CO 0.04 -0.19 0.97 -0.62 0.24 0.00 0.00 174.94 175.38 1i41 s ASP 185 N -3.88 7.26 0.26 4.36 2.15 -1.26 -1.45 116.67 124.10 1i41 s ASP 185 Ca 0.38 1.89 -0.05 0.00 0.43 0.00 0.00 52.55 55.21 1i41 s ASP 185 Cb -0.04 -2.58 0.51 0.00 -0.30 0.00 0.00 42.92 40.51 1i41 s ASP 185 CO 0.24 -0.13 1.63 -0.65 -0.17 0.00 0.00 175.17 176.09 1i41 h PRO 186 N 3.13 0.12 0.01 4.34 0.11 -1.94 -2.35 132.00 135.41 1i41 h PRO 186 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1i41 h PRO 186 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i41 h PRO 186 CO 0.65 0.08 -0.00 0.00 -0.21 0.00 0.00 178.00 178.51 1i41 h ALA 187 N 1.74 -0.01 -0.01 -0.75 0.00 -1.93 -3.43 119.26 114.88 1i41 h ALA 187 Ca 0.45 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1i41 h ALA 187 Cb 0.83 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1i41 h ALA 187 CO -0.68 -0.20 0.77 -3.47 0.00 0.00 0.00 179.25 175.67 1i41 n ASP 188 N -4.80 -1.21 0.21 0.00 -0.08 -0.89 -4.64 116.55 105.14 1i41 n ASP 188 Ca -0.09 -1.30 0.07 0.00 -1.51 0.00 0.00 54.79 51.97 1i41 n ASP 188 Cb 0.31 -0.52 0.44 0.00 2.34 0.00 0.00 41.12 43.69 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 6.25 0.85 0.30 5.18 2.07 -1.82 -3.02 116.25 126.06 1i41 h VAL 189 Ca 0.01 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1i41 h VAL 189 Cb 0.83 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1i41 h VAL 189 CO 0.91 0.29 -0.14 1.23 0.02 0.00 0.00 177.57 179.88 1i41 h GLY 190 N 1.61 -0.42 0.09 2.17 0.00 -1.97 -0.48 103.07 104.07 1i41 h GLY 190 Ca -0.00 0.16 0.15 0.00 0.00 0.00 0.00 47.33 47.63 1i41 h GLY 190 CO 0.04 -0.15 0.30 0.00 0.00 0.00 0.00 176.54 176.72 1i41 h ALA 191 N 0.26 1.09 0.33 3.60 0.00 -1.92 0.19 119.26 122.80 1i41 h ALA 191 Ca -0.04 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1i41 h ALA 191 Cb 0.33 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1i41 h ALA 191 CO 0.07 -0.24 -0.16 1.25 0.00 0.00 0.00 179.25 180.17 1i41 h LEU 192 N 0.42 -0.37 -1.23 0.00 5.85 -1.43 0.15 115.31 118.70 1i41 h LEU 192 Ca 0.43 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.21 1i41 h LEU 192 Cb 0.68 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1i41 h LEU 192 CO -0.43 -0.24 0.55 -0.08 -0.34 0.00 0.00 178.44 177.91 1i41 h GLU 193 N -0.48 0.88 0.29 1.25 4.81 -0.03 0.21 114.58 121.51 1i41 h GLU 193 Ca -0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1i41 h GLU 193 Cb 0.36 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1i41 h GLU 193 CO 0.07 0.58 -0.14 1.25 -0.73 0.00 0.00 179.01 180.05 1i41 h LEU 194 N 0.91 -0.33 -0.98 1.64 5.85 -0.34 -3.06 115.31 119.00 1i41 h LEU 194 Ca 0.38 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1i41 h LEU 194 Cb 0.28 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 1i41 h LEU 194 CO -0.14 0.07 0.61 0.00 -0.34 0.00 0.00 178.44 178.64 1i41 h ALA 195 N -0.25 1.44 -0.95 1.25 0.00 -0.36 0.23 119.26 120.62 1i41 h ALA 195 Ca -0.04 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1i41 h ALA 195 Cb 0.51 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 1i41 h ALA 195 CO 0.06 0.25 0.60 -0.07 0.00 0.00 0.00 179.25 180.10 1i41 h LEU 196 N 1.00 0.60 0.11 0.00 -0.00 -0.56 -2.35 115.31 114.11 1i41 h LEU 196 Ca 0.47 0.06 -0.36 0.00 -0.00 0.00 0.00 57.88 58.05 1i41 h LEU 196 Cb 0.41 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 1i41 h LEU 196 CO -0.25 0.24 -2.00 0.59 -0.00 0.00 0.00 178.44 177.03 1i41 n ASN 197 N -4.61 2.02 0.00 -0.43 3.02 -0.03 -4.57 115.26 110.65 1i41 n ASN 197 Ca 0.21 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1i41 n ASN 197 Cb 0.61 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1i41 n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i41 n GLN 198 N -3.44 0.00 -3.08 3.52 6.02 0.61 -4.82 117.38 116.19 1i41 n GLN 198 Ca -0.31 0.54 -0.19 0.00 -0.01 0.00 0.00 57.00 57.02 1i41 n GLN 198 Cb 1.05 -1.42 0.05 0.00 1.02 0.00 0.00 30.24 30.93 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 -2.67 2.40 -0.79 -1.09 3.01 -0.91 -5.06 119.74 114.63 1i41 s LYS 199 Ca 0.00 -1.59 -0.15 0.00 -1.01 0.00 0.00 55.97 53.22 1i41 s LYS 199 Cb 0.00 -2.64 0.19 0.00 -1.01 0.00 0.00 37.83 34.37 1i41 s LYS 199 CO 0.00 -0.73 0.77 0.21 0.51 0.00 0.00 175.35 176.11 1i41 s LYS 200 N -4.58 3.49 0.01 1.68 2.36 -1.26 -4.62 119.74 116.81 1i41 s LYS 200 Ca 0.59 -2.21 -0.30 0.00 -2.55 0.00 0.00 55.97 51.50 1i41 s LYS 200 Cb -0.06 -4.46 -0.05 0.00 -1.05 0.00 0.00 37.83 32.20 1i41 s LYS 200 CO 0.37 -1.37 1.33 0.08 1.55 0.00 0.00 175.35 177.31 1i41 s VAL 201 N 0.83 3.82 -0.05 4.02 1.01 -1.26 -4.02 120.40 124.75 1i41 s VAL 201 Ca 0.17 1.22 -0.14 0.00 0.00 0.00 0.00 61.98 63.24 1i41 s VAL 201 Cb -0.13 -3.79 -0.31 0.00 0.00 0.00 0.00 36.38 32.15 1i41 s VAL 201 CO -0.06 0.02 0.71 0.78 0.00 0.00 0.00 175.10 176.55 1i41 h ASN 202 N 7.49 0.60 -3.91 3.32 4.21 -1.33 -3.35 115.58 122.60 1i41 h ASN 202 Ca -0.38 -0.92 -0.06 0.00 1.21 0.00 0.00 56.30 56.15 1i41 h ASN 202 Cb 1.18 -0.20 -0.22 0.00 -1.12 0.00 0.00 38.32 37.97 1i41 h ASN 202 CO 0.88 1.72 0.03 -0.22 -1.29 0.00 0.00 177.43 178.55 1i41 s LEU 203 N -7.44 -0.46 -0.21 1.61 0.20 -1.25 -1.72 118.68 109.41 1i41 s LEU 203 Ca -0.16 1.29 -0.09 0.00 0.69 0.00 0.00 54.13 55.87 1i41 s LEU 203 Cb 0.05 2.19 -0.04 0.00 -0.43 0.00 0.00 46.19 47.95 1i41 s LEU 203 CO 0.85 -0.22 0.11 0.12 -0.29 0.00 0.00 176.35 176.92 1i41 s PHE 204 N 0.42 3.29 -0.04 5.38 5.36 0.92 -2.05 117.98 131.27 1i41 s PHE 204 Ca -0.01 0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.13 1i41 s PHE 204 Cb -0.05 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1i41 s PHE 204 CO -0.00 0.12 -0.09 0.12 -1.46 0.00 0.00 175.22 173.90 1i41 s PHE 205 N 0.68 1.02 -0.02 10.12 5.36 0.81 -0.14 117.98 135.81 1i41 s PHE 205 Ca 0.06 -0.29 -0.30 0.00 -0.96 0.00 0.00 56.93 55.44 1i41 s PHE 205 Cb -0.13 -0.75 0.11 0.00 -0.34 0.00 0.00 43.02 41.91 1i41 s PHE 205 CO 0.01 -0.15 0.99 -0.08 -1.46 0.00 0.00 175.22 174.54 1i41 s THR 206 N 0.41 0.00 -0.12 0.12 -1.32 -0.24 -3.84 115.64 110.65 1i41 s THR 206 Ca -0.07 -0.10 -0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1i41 s THR 206 Cb -0.11 -1.19 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 1i41 s THR 206 CO 0.01 0.00 0.03 -1.83 -2.21 0.00 0.00 174.62 170.62 1i41 s GLU 207 N -2.95 3.31 -0.17 7.08 -1.05 -1.26 -0.63 118.70 123.02 1i41 s GLU 207 Ca 0.07 -0.37 -0.04 0.00 -0.15 0.00 0.00 54.97 54.48 1i41 s GLU 207 Cb -0.01 -2.94 0.09 0.00 -0.44 0.00 0.00 34.13 30.83 1i41 s GLU 207 CO -0.06 0.59 0.29 0.45 0.95 0.00 0.00 175.26 177.48 1i41 s SER 208 N -0.55 0.49 1.00 0.83 0.15 -1.19 -3.51 113.70 110.93 1i41 s SER 208 Ca 0.10 0.39 -0.11 0.00 0.70 0.00 0.00 55.95 57.03 1i41 s SER 208 Cb -0.12 0.78 0.19 0.00 -1.71 0.00 0.00 66.02 65.16 1i41 s SER 208 CO 0.02 -0.27 1.10 -2.84 1.20 0.00 0.00 173.24 172.46 1i41 s PRO 209 N 2.44 0.36 0.74 5.44 0.02 -1.26 -4.52 135.00 138.22 1i41 s PRO 209 Ca 0.04 1.30 -0.02 0.00 0.02 0.00 0.00 61.00 62.35 1i41 s PRO 209 Cb -0.13 -1.67 0.13 0.00 0.02 0.00 0.00 34.50 32.85 1i41 s PRO 209 CO -0.11 -3.00 1.02 -0.08 -0.33 0.00 0.00 177.00 174.50 1i41 s THR 210 N -2.59 2.11 -0.05 0.99 -1.32 0.23 -4.71 115.64 110.30 1i41 s THR 210 Ca 0.67 -0.56 0.03 0.00 -1.21 0.00 0.00 61.69 60.61 1i41 s THR 210 Cb -0.23 -2.55 0.01 0.00 -1.51 0.00 0.00 72.50 68.22 1i41 s THR 210 CO 0.60 0.00 -0.12 0.21 -2.21 0.00 0.00 174.62 173.10 1i41 s ASN 211 N -4.75 1.66 0.00 8.08 3.04 -1.23 -1.50 114.94 120.23 1i41 s ASN 211 Ca 0.67 -0.27 0.23 0.00 0.04 0.00 0.00 52.86 53.53 1i41 s ASN 211 Cb -0.05 -0.63 0.33 0.00 -1.54 0.00 0.00 41.25 39.36 1i41 s ASN 211 CO 0.45 0.06 1.34 -0.81 -3.04 0.00 0.00 177.10 175.10 1i41 n PRO 212 N 3.56 2.42 -0.04 0.43 -0.04 -1.26 -4.56 135.00 135.50 1i41 n PRO 212 Ca -0.21 -2.14 0.08 0.00 -0.04 0.00 0.00 63.50 61.19 1i41 n PRO 212 Cb 0.53 -1.49 0.40 0.00 -0.04 0.00 0.00 33.50 32.90 1i41 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i41 n PHE 213 N 1.43 0.11 -4.28 0.54 3.72 -1.26 -4.57 117.46 113.15 1i41 n PHE 213 Ca 0.17 -0.06 -0.38 0.00 -0.05 0.00 0.00 57.45 57.14 1i41 n PHE 213 Cb 0.60 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.26 -1.34 -4.77 4.37 4.77 -0.56 -4.71 117.00 114.49 1i41 n LEU 214 Ca 0.13 -1.04 -0.35 0.00 -0.03 0.00 0.00 56.01 54.72 1i41 n LEU 214 Cb 0.17 -1.89 0.02 0.00 -2.33 0.00 0.00 43.42 39.39 1i41 n LEU 214 CO 0.10 0.21 0.78 -0.13 -1.33 0.00 0.00 177.39 177.02 1i41 s ARG 215 N -6.98 3.18 0.07 3.23 1.81 -1.26 -4.14 118.95 114.87 1i41 s ARG 215 Ca 0.76 1.58 0.09 0.00 -1.72 0.00 0.00 55.73 56.44 1i41 s ARG 215 Cb -0.42 -1.98 -0.03 0.00 -0.45 0.00 0.00 34.95 32.06 1i41 s ARG 215 CO 0.93 -0.99 -0.25 0.00 -0.68 0.00 0.00 175.30 174.31 1i41 s VAL 217 N -0.91 3.96 -1.03 0.00 1.01 -1.26 -4.70 120.40 117.47 1i41 s VAL 217 Ca 0.11 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 1i41 s VAL 217 Cb -0.10 -2.69 -0.13 0.00 0.00 0.00 0.00 36.38 33.46 1i41 s VAL 217 CO 0.03 0.54 1.93 -0.67 0.00 0.00 0.00 175.10 176.93 1i41 n ASP 218 N 2.93 2.75 -0.26 3.32 -0.08 -1.26 -4.78 116.55 119.17 1i41 n ASP 218 Ca -0.18 -2.67 -0.07 0.00 -1.51 0.00 0.00 54.79 50.36 1i41 n ASP 218 Cb 0.53 -1.53 -0.06 0.00 2.34 0.00 0.00 41.12 42.39 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 7.39 -0.43 -0.28 5.18 5.41 -1.26 -0.78 119.36 134.60 1i41 n ILE 219 Ca 0.46 1.97 0.08 0.00 1.00 0.00 0.00 62.75 66.26 1i41 n ILE 219 Cb 0.45 -2.48 0.19 0.00 -0.71 0.00 0.00 39.64 37.09 1i41 n ILE 219 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1i41 h GLU 220 N 0.00 0.11 0.45 0.38 4.81 -1.86 0.44 114.58 118.91 1i41 h GLU 220 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1i41 h GLU 220 Cb 0.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1i41 h GLU 220 CO -0.59 0.07 -0.22 1.25 -0.73 0.00 0.00 179.01 178.79 1i41 h LEU 221 N 0.11 -0.51 -0.59 1.64 5.85 -1.27 -2.22 115.31 118.33 1i41 h LEU 221 Ca 0.46 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.29 1i41 h LEU 221 Cb 0.85 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.90 1i41 h LEU 221 CO -0.70 -0.35 -0.43 0.58 -0.34 0.00 0.00 178.44 177.20 1i41 h VAL 222 N -0.63 0.09 -0.87 1.05 2.07 -0.58 0.10 116.25 117.48 1i41 h VAL 222 Ca -0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.63 1i41 h VAL 222 Cb 0.46 0.09 -0.16 0.00 -1.52 0.00 0.00 31.29 30.16 1i41 h VAL 222 CO 0.10 0.00 -0.23 0.28 0.02 0.00 0.00 177.57 177.74 1i41 h SER 223 N -0.22 -0.84 0.14 0.57 0.02 -0.14 0.65 113.55 113.73 1i41 h SER 223 Ca 0.18 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1i41 h SER 223 Cb 0.56 0.55 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1i41 h SER 223 CO -0.69 -0.29 -0.12 0.50 -1.14 0.00 0.00 176.83 175.09 1i41 h LYS 224 N -0.00 -0.27 0.47 3.45 3.64 -0.19 -1.28 116.57 122.39 1i41 h LYS 224 Ca 0.41 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1i41 h LYS 224 Cb 0.63 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1i41 h LYS 224 CO -0.89 -0.18 -0.45 -0.07 -2.27 0.00 0.00 179.45 175.58 1i41 h LEU 225 N -0.28 -1.23 -0.40 5.20 3.38 0.09 -2.61 115.31 119.46 1i41 h LEU 225 Ca -0.00 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1i41 h LEU 225 Cb 0.26 0.40 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1i41 h LEU 225 CO -0.02 -0.62 0.06 0.00 0.09 0.00 0.00 178.44 177.96 1i41 h HIS 227 N 0.19 0.00 0.00 0.00 3.86 -1.15 0.52 115.15 118.57 1i41 h HIS 227 Ca 0.19 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.29 1i41 h HIS 227 Cb 0.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1i41 h HIS 227 CO -0.21 0.00 -0.54 1.49 0.86 0.00 0.00 177.93 179.53 1i41 h GLU 228 N 0.00 0.00 -0.57 2.45 4.81 -0.77 -3.10 114.58 117.41 1i41 h GLU 228 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1i41 h GLU 228 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1i41 h GLU 228 CO 0.00 0.54 0.00 1.63 -0.73 0.00 0.00 179.01 180.45 1i41 n LYS 229 N -3.83 2.70 -0.88 1.92 4.76 0.11 -4.96 118.16 117.98 1i41 n LYS 229 Ca -0.01 -2.41 0.00 0.00 -2.87 0.00 0.00 58.31 53.02 1i41 n LYS 229 Cb 0.56 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1i41 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i41 n GLY 230 N 1.27 0.82 3.83 0.72 0.00 -0.90 -4.89 105.19 106.05 1i41 n GLY 230 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1i41 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 231 N -3.22 2.98 0.07 4.61 0.00 -0.82 -4.92 121.76 120.46 1i41 s ALA 231 Ca 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1i41 s ALA 231 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1i41 s ALA 231 CO 0.00 -0.28 0.23 -0.51 0.00 0.00 0.00 175.76 175.21 1i41 s LEU 232 N -3.91 4.35 -0.13 0.00 1.43 -0.70 -4.00 118.68 115.72 1i41 s LEU 232 Ca 0.61 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1i41 s LEU 232 Cb -0.12 -2.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.11 1i41 s LEU 232 CO 0.27 0.16 -0.19 -0.69 0.23 0.00 0.00 176.35 176.14 1i41 s VAL 233 N -1.52 2.45 -0.09 -1.59 1.01 -1.26 0.31 120.40 119.72 1i41 s VAL 233 Ca 0.35 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1i41 s VAL 233 Cb -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1i41 s VAL 233 CO 0.27 0.54 -0.13 0.00 0.00 0.00 0.00 175.10 175.78 1i41 s ILE 235 N 0.99 2.30 -1.08 0.00 -1.09 0.98 -1.08 121.20 122.22 1i41 s ILE 235 Ca -0.08 -0.90 -0.17 0.00 -2.23 0.00 0.00 60.65 57.28 1i41 s ILE 235 Cb -0.15 -1.94 0.14 0.00 -1.58 0.00 0.00 42.46 38.94 1i41 s ILE 235 CO -0.01 0.54 1.31 -0.62 -1.23 0.00 0.00 174.94 174.93 1i41 s ASP 236 N 0.76 6.84 -0.02 3.58 -1.08 0.20 -1.50 116.67 125.45 1i41 s ASP 236 Ca -0.07 -2.48 0.00 0.00 -0.52 0.00 0.00 52.55 49.48 1i41 s ASP 236 Cb -0.16 -2.41 0.03 0.00 -1.46 0.00 0.00 42.92 38.92 1i41 s ASP 236 CO -0.00 -0.94 0.85 0.61 0.52 0.00 0.00 175.17 176.21 1i41 n GLY 237 N 4.90 1.90 0.42 2.66 0.00 -0.92 -3.16 105.19 110.99 1i41 n GLY 237 Ca 0.31 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 0.10 0.00 -0.48 2.61 2.02 -1.88 0.18 112.91 115.47 1i41 h THR 238 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1i41 h THR 238 Cb 0.88 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1i41 h THR 238 CO 0.04 0.00 0.32 -0.26 0.37 0.00 0.00 175.52 175.99 1i41 h PHE 239 N -0.32 0.50 0.53 3.16 0.04 -1.84 -3.19 116.94 115.83 1i41 h PHE 239 Ca 0.08 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1i41 h PHE 239 Cb 0.54 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 38.52 1i41 h PHE 239 CO -0.77 0.29 -0.26 0.00 -0.60 0.00 0.00 178.31 176.98 1i41 h ALA 240 N 1.73 -0.72 0.00 2.45 0.00 -1.35 -3.41 119.26 117.96 1i41 h ALA 240 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i41 h ALA 240 Cb 0.12 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1i41 h ALA 240 CO -0.05 -0.66 0.00 2.41 0.00 0.00 0.00 179.25 180.95 1i41 n THR 241 N -5.25 -0.38 0.09 0.00 -1.04 -0.11 -3.95 114.28 103.64 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 0.28 -0.11 0.22 0.00 -1.82 0.00 0.00 70.33 68.90 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 1.11 0.05 0.05 -2.82 -0.04 -1.26 -1.39 135.00 130.71 1i41 n PRO 242 Ca 0.00 0.47 -0.22 0.00 -0.04 0.00 0.00 63.50 63.71 1i41 n PRO 242 Cb 0.00 -1.89 -0.15 0.00 -0.04 0.00 0.00 33.50 31.42 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 0.52 -0.09 1.53 3.38 -1.95 -3.35 115.31 115.34 1i41 h LEU 243 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1i41 h LEU 243 Cb 0.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1i41 h LEU 243 CO 0.00 1.56 -0.03 0.59 0.09 0.00 0.00 178.44 180.64 1i41 n ASN 244 N -3.95 0.17 -3.61 -0.43 3.02 -0.48 -4.83 115.26 105.15 1i41 n ASN 244 Ca -0.19 -0.47 -0.04 0.00 -0.03 0.00 0.00 54.58 53.85 1i41 n ASN 244 Cb 0.92 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.90 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 -2.42 0.26 -0.57 3.52 -2.07 -1.18 -1.75 119.66 115.46 1i41 s GLN 245 Ca 0.33 -0.05 0.05 0.00 -1.82 0.00 0.00 55.36 53.87 1i41 s GLN 245 Cb 0.21 0.12 0.19 0.00 -1.09 0.00 0.00 33.01 32.44 1i41 s GLN 245 CO 0.45 -0.10 0.50 1.63 -1.32 0.00 0.00 175.29 176.44 1i41 n LYS 246 N 0.15 1.33 -0.31 9.60 4.76 -1.26 -4.40 118.16 128.02 1i41 n LYS 246 Ca -0.01 -3.97 0.16 0.00 -2.87 0.00 0.00 58.31 51.62 1i41 n LYS 246 Cb 0.58 -1.96 0.34 0.00 -1.84 0.00 0.00 35.03 32.16 1i41 n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i41 h ALA 247 N 5.05 1.54 -0.65 7.82 0.00 -1.95 0.30 119.26 131.38 1i41 h ALA 247 Ca 0.18 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1i41 h ALA 247 Cb 0.80 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1i41 h ALA 247 CO 0.60 -0.39 0.38 -0.07 0.00 0.00 0.00 179.25 179.77 1i41 h LEU 248 N 0.37 0.60 -0.90 0.00 3.38 -1.87 -1.26 115.31 115.64 1i41 h LEU 248 Ca 0.60 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.49 1i41 h LEU 248 Cb 1.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1i41 h LEU 248 CO -0.56 0.40 -0.17 0.00 0.09 0.00 0.00 178.44 178.21 1i41 h ALA 249 N 1.31 1.07 0.00 1.53 0.00 -0.76 -2.08 119.26 120.32 1i41 h ALA 249 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i41 h ALA 249 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1i41 h ALA 249 CO -0.14 0.57 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1i41 n LEU 250 N -4.15 0.00 0.00 0.00 4.77 -0.36 -4.83 117.00 112.43 1i41 n LEU 250 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1i41 n LEU 250 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1i41 n LEU 250 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1i41 n GLY 251 N 0.15 2.80 3.52 -0.72 0.00 -0.78 -3.54 105.19 106.61 1i41 n GLY 251 Ca 0.10 0.00 -0.40 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 -0.98 -0.75 0.09 4.61 0.00 -0.58 -4.92 120.51 117.98 1i41 n ALA 252 Ca 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 1i41 n ALA 252 Cb 0.00 -1.91 -0.15 0.00 0.00 0.00 0.00 19.45 17.39 1i41 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i41 h ASP 253 N 0.83 0.62 -3.60 0.00 3.32 -1.56 -3.40 116.42 112.62 1i41 h ASP 253 Ca -0.44 -0.94 -0.28 0.00 0.02 0.00 0.00 57.03 55.40 1i41 h ASP 253 Cb 1.38 -0.20 -0.32 0.00 0.22 0.00 0.00 39.33 40.41 1i41 h ASP 253 CO 0.52 1.54 -0.73 -0.76 -1.72 0.00 0.00 179.24 178.09 1i41 s LEU 254 N -7.74 1.42 -0.11 1.55 1.43 -0.12 -4.21 118.68 110.89 1i41 s LEU 254 Ca -0.12 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1i41 s LEU 254 Cb 0.02 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1i41 s LEU 254 CO 0.87 -0.08 -0.22 0.54 0.23 0.00 0.00 176.35 177.69 1i41 s VAL 255 N 0.68 2.20 0.08 -1.59 0.11 -0.92 -0.02 120.40 120.94 1i41 s VAL 255 Ca -0.06 -0.96 0.07 0.00 -2.93 0.00 0.00 61.98 58.10 1i41 s VAL 255 Cb -0.08 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 32.88 1i41 s VAL 255 CO -0.02 0.55 -0.19 -1.48 -3.33 0.00 0.00 175.10 170.63 1i41 s LEU 256 N 0.47 2.26 0.34 2.54 0.05 -0.56 -1.26 118.68 122.51 1i41 s LEU 256 Ca -0.15 -0.62 0.03 0.00 0.05 0.00 0.00 54.13 53.44 1i41 s LEU 256 Cb -0.17 -0.82 -0.05 0.00 -2.05 0.00 0.00 46.19 43.10 1i41 s LEU 256 CO 0.06 0.06 0.08 -1.00 -0.55 0.00 0.00 176.35 175.00 1i41 s HIS 257 N -1.08 1.85 -0.65 3.48 3.76 0.12 -2.16 115.29 120.62 1i41 s HIS 257 Ca 0.05 -1.08 0.05 0.00 -0.15 0.00 0.00 55.06 53.92 1i41 s HIS 257 Cb -0.10 -1.20 0.16 0.00 1.11 0.00 0.00 32.58 32.56 1i41 s HIS 257 CO 0.03 -0.12 0.43 0.45 -0.85 0.00 0.00 174.74 174.68 1i41 s SER 258 N -3.50 4.58 0.60 1.40 0.15 -1.26 -2.72 113.70 112.95 1i41 s SER 258 Ca 0.33 -3.63 0.11 0.00 0.70 0.00 0.00 55.95 53.46 1i41 s SER 258 Cb 0.07 -1.58 0.62 0.00 -1.71 0.00 0.00 66.02 63.41 1i41 s SER 258 CO 0.15 -0.12 1.32 0.00 1.20 0.00 0.00 173.24 175.78 1i41 h ALA 259 N 5.66 1.65 -0.72 5.45 0.00 -1.54 0.18 119.26 129.95 1i41 h ALA 259 Ca 0.10 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.21 1i41 h ALA 259 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1i41 h ALA 259 CO 0.70 -0.65 0.51 1.15 0.00 0.00 0.00 179.25 180.95 1i41 h THR 260 N 0.00 0.66 0.00 0.00 2.02 -1.74 -1.76 112.91 112.10 1i41 h THR 260 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1i41 h THR 260 Cb 1.37 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1i41 h THR 260 CO 0.00 0.01 0.00 0.29 0.37 0.00 0.00 175.52 176.19 1i41 n LYS 261 N -4.35 0.00 0.27 6.66 4.76 0.64 -4.57 118.16 121.57 1i41 n LYS 261 Ca 0.14 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.44 1i41 n LYS 261 Cb 0.75 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.86 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 -0.67 -0.95 2.13 0.04 -1.73 0.25 116.94 116.02 1i41 h PHE 262 Ca 0.00 -0.02 0.22 0.00 2.80 0.00 0.00 57.97 60.97 1i41 h PHE 262 Cb 0.00 0.22 -0.18 0.00 2.20 0.00 0.00 35.95 38.19 1i41 h PHE 262 CO 0.00 -0.34 -0.13 -0.07 -0.60 0.00 0.00 178.31 177.17 1i41 h LEU 263 N -1.01 -0.71 0.00 1.54 3.38 -1.85 0.70 115.31 117.37 1i41 h LEU 263 Ca -0.07 0.28 -0.24 0.00 0.09 0.00 0.00 57.88 57.93 1i41 h LEU 263 Cb 0.63 0.54 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1i41 h LEU 263 CO 0.12 -0.32 -1.34 1.23 0.09 0.00 0.00 178.44 178.23 1i41 h GLY 264 N 0.01 0.00 -3.81 0.83 0.00 -1.40 -3.25 103.07 95.46 1i41 h GLY 264 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1i41 h GLY 264 CO -0.94 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.21 1i41 n GLY 265 N 1.45 -0.35 0.08 4.60 0.00 0.25 -4.64 105.19 106.57 1i41 n GLY 265 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.78 0.00 -4.21 1.61 8.25 -1.26 -2.21 115.22 115.62 1i41 n HIS 266 Ca 0.00 -0.24 -0.33 0.00 -0.26 0.00 0.00 57.72 56.89 1i41 n HIS 266 Cb 0.35 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.28 -1.39 -0.95 0.41 3.02 -1.26 -4.83 115.26 109.98 1i41 n ASN 267 Ca 0.01 -1.10 0.01 0.00 -0.03 0.00 0.00 54.58 53.48 1i41 n ASN 267 Cb 0.47 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 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 -2.77 0.29 -3.63 6.41 5.75 -1.26 -5.10 116.55 116.23 1i41 n ASP 268 Ca -0.11 -1.89 -0.06 0.00 -0.01 0.00 0.00 54.79 52.71 1i41 n ASP 268 Cb 0.58 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.44 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 0.15 2.12 0.11 -1.26 -5.10 120.40 116.42 1i41 s VAL 269 Ca 0.13 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1i41 s VAL 269 Cb 0.15 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1i41 s VAL 269 CO -0.07 0.00 0.06 -0.76 -3.33 0.00 0.00 175.10 171.01 1i41 s LEU 270 N -0.16 3.59 0.00 2.54 1.43 -1.26 -4.33 118.68 120.48 1i41 s LEU 270 Ca 0.05 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1i41 s LEU 270 Cb -0.04 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1i41 s LEU 270 CO -0.09 0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.60 1i41 n ALA 271 N -0.05 0.00 -2.14 4.21 0.00 -1.16 -4.69 120.51 116.67 1i41 n ALA 271 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.16 1i41 n ALA 271 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.00 1i41 n ALA 271 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i41 s GLY 272 N 0.00 1.81 -0.29 0.00 0.00 -1.02 -1.44 107.32 106.38 1i41 s GLY 272 Ca 0.00 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 43.07 1i41 s GLY 272 CO 0.00 -1.32 0.93 0.00 0.00 0.00 0.00 173.10 172.71 1i41 s ILE 274 N 1.71 1.09 0.08 0.00 1.01 0.00 -0.70 121.20 124.39 1i41 s ILE 274 Ca -0.08 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.25 1i41 s ILE 274 Cb -0.05 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1i41 s ILE 274 CO -0.16 0.35 -0.24 -0.44 0.00 0.00 0.00 174.94 174.45 1i41 s SER 275 N 0.93 2.94 0.00 3.58 0.01 -0.39 0.41 113.70 121.18 1i41 s SER 275 Ca -0.10 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1i41 s SER 275 Cb -0.15 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1i41 s SER 275 CO 0.01 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1i41 n GLY 276 N 1.44 -0.70 3.77 3.44 0.00 -0.38 -2.17 105.19 110.60 1i41 n GLY 276 Ca -0.18 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.79 4.18 0.00 1.61 0.04 -1.26 -2.05 135.00 136.72 1i41 s PRO 277 Ca 0.00 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1i41 s PRO 277 Cb 0.00 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1i41 s PRO 277 CO 0.00 -0.20 1.00 -0.11 0.04 0.00 0.00 177.00 177.73 1i41 n LEU 278 N 0.27 0.00 -0.44 -3.56 0.00 -1.26 -0.42 117.00 111.59 1i41 n LEU 278 Ca 0.03 1.00 0.34 0.00 0.00 0.00 0.00 56.01 57.38 1i41 n LEU 278 Cb 0.46 -0.50 0.54 0.00 0.00 0.00 0.00 43.42 43.92 1i41 n LEU 278 CO 0.51 -0.50 0.98 1.17 0.00 0.00 0.00 177.39 179.54 1i41 n LYS 279 N -2.55 -0.01 -0.06 1.96 4.81 -1.26 -0.76 118.16 120.29 1i41 n LYS 279 Ca 0.00 0.79 -0.04 0.00 -0.87 0.00 0.00 58.31 58.19 1i41 n LYS 279 Cb 0.00 -1.73 -0.01 0.00 0.02 0.00 0.00 35.03 33.31 1i41 n LYS 279 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1i41 n LEU 280 N -3.56 1.66 -0.26 3.14 4.77 -0.43 -4.07 117.00 118.25 1i41 n LEU 280 Ca 0.30 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 57.00 1i41 n LEU 280 Cb 1.31 -0.84 0.38 0.00 -2.33 0.00 0.00 43.42 41.93 1i41 n LEU 280 CO 0.25 -0.48 1.22 1.62 -1.33 0.00 0.00 177.39 178.68 1i41 h VAL 281 N -0.92 0.85 -0.41 4.08 3.04 0.83 -2.04 116.25 121.67 1i41 h VAL 281 Ca 0.00 -0.24 0.02 0.00 -1.01 0.00 0.00 66.70 65.47 1i41 h VAL 281 Cb 0.47 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.82 1i41 h VAL 281 CO 0.00 0.13 0.24 0.77 -1.01 0.00 0.00 177.57 177.70 1i41 h SER 282 N 0.69 0.39 -0.30 3.17 4.64 -1.16 -0.48 113.55 120.50 1i41 h SER 282 Ca 0.44 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.85 1i41 h SER 282 Cb 0.68 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1i41 h SER 282 CO -0.19 0.28 0.38 -0.33 -0.87 0.00 0.00 176.83 176.09 1i41 h GLU 283 N 0.49 0.00 0.06 4.77 4.39 -1.51 -0.33 114.58 122.45 1i41 h GLU 283 Ca 0.16 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.65 1i41 h GLU 283 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1i41 h GLU 283 CO -0.08 0.00 -1.09 0.82 -1.16 0.00 0.00 179.01 177.51 1i41 h ILE 284 N 0.00 1.16 -0.98 3.13 2.04 -1.15 -3.30 117.51 118.40 1i41 h ILE 284 Ca 0.14 -2.33 0.21 0.00 1.00 0.00 0.00 64.86 63.88 1i41 h ILE 284 Cb 0.90 2.72 -0.09 0.00 -0.74 0.00 0.00 36.82 39.61 1i41 h ILE 284 CO -0.00 0.58 0.62 -0.09 0.00 0.00 0.00 178.15 179.26 1i41 h ARG 285 N -0.63 0.54 0.42 2.37 2.43 0.31 0.37 114.38 120.19 1i41 h ARG 285 Ca -0.25 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 1i41 h ARG 285 Cb 1.49 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1i41 h ARG 285 CO -0.03 0.36 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.68 1i41 h ASN 286 N 0.56 -0.47 0.22 -3.80 2.35 -1.30 0.67 115.58 113.81 1i41 h ASN 286 Ca 0.54 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.25 1i41 h ASN 286 Cb 1.13 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 1i41 h ASN 286 CO -0.29 -0.33 -0.22 0.25 -1.65 0.00 0.00 177.43 175.19 1i41 h LEU 287 N -0.57 0.01 -1.31 1.61 5.85 -1.23 -1.44 115.31 118.23 1i41 h LEU 287 Ca -0.06 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1i41 h LEU 287 Cb 0.44 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1i41 h LEU 287 CO 0.09 0.23 -0.28 -0.74 -0.34 0.00 0.00 178.44 177.41 1i41 h HIS 288 N 0.01 0.12 0.00 1.25 2.76 0.37 -0.85 115.15 118.81 1i41 h HIS 288 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1i41 h HIS 288 Cb 0.40 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1i41 h HIS 288 CO 0.00 0.38 0.00 0.72 -1.30 0.00 0.00 177.93 177.73 1i41 n HIS 289 N -4.17 0.00 -0.04 5.26 8.25 0.16 -2.27 115.22 122.40 1i41 n HIS 289 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 1i41 n HIS 289 Cb 0.35 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 1i41 n HIS 289 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1i41 n ILE 290 N -1.06 0.45 0.34 1.59 5.41 -0.41 -4.54 119.36 121.14 1i41 n ILE 290 Ca 0.13 -0.12 0.08 0.00 1.00 0.00 0.00 62.75 63.84 1i41 n ILE 290 Cb 0.08 -1.48 0.34 0.00 -0.71 0.00 0.00 39.64 37.88 1i41 n ILE 290 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1i41 n LEU 291 N -3.27 0.27 -3.60 1.39 4.77 -0.69 -4.91 117.00 110.96 1i41 n LEU 291 Ca -0.16 0.58 -0.20 0.00 -0.03 0.00 0.00 56.01 56.20 1i41 n LEU 291 Cb 0.62 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1i41 n LEU 291 CO 0.02 -0.48 -0.06 0.61 -1.33 0.00 0.00 177.39 176.15 1i41 n GLY 292 N -0.43 -1.23 1.21 -0.72 0.00 -0.96 -4.90 105.19 98.15 1i41 n GLY 292 Ca 0.02 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.55 1i41 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 293 N -1.71 4.63 3.28 -0.02 0.00 -1.26 -5.05 105.19 105.06 1i41 n GLY 293 Ca -0.20 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 1i41 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 294 N -0.96 -2.84 -2.82 4.61 0.00 -1.26 -0.87 120.51 116.37 1i41 n ALA 294 Ca 0.33 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 1i41 n ALA 294 Cb 1.07 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 4.43 4.31 0.28 0.00 2.96 -1.26 -4.32 118.68 125.07 1i41 s LEU 295 Ca 0.59 0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 54.57 1i41 s LEU 295 Cb -0.52 -2.07 -0.10 0.00 0.50 0.00 0.00 46.19 44.00 1i41 s LEU 295 CO 0.64 0.32 1.16 0.21 -1.32 0.00 0.00 176.35 177.36 1i41 s ASN 296 N -0.47 7.12 0.18 3.68 3.84 -1.26 -4.90 114.94 123.14 1i41 s ASN 296 Ca 0.12 2.38 -0.19 0.00 0.21 0.00 0.00 52.86 55.38 1i41 s ASN 296 Cb -0.12 -2.63 0.13 0.00 -0.55 0.00 0.00 41.25 38.08 1i41 s ASN 296 CO 0.02 -0.27 1.62 -0.65 -2.79 0.00 0.00 177.10 175.03 1i41 h PRO 297 N 3.84 -0.12 -0.77 0.43 0.11 -1.97 -0.89 132.00 132.63 1i41 h PRO 297 Ca -0.47 0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.82 1i41 h PRO 297 Cb 1.22 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 1i41 h PRO 297 CO 0.67 -0.08 0.20 -0.91 -0.21 0.00 0.00 178.00 177.67 1i41 h ASN 298 N -0.13 0.03 0.55 -2.05 2.35 -1.92 0.16 115.58 114.58 1i41 h ASN 298 Ca 0.22 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 56.10 1i41 h ASN 298 Cb 0.47 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 1i41 h ASN 298 CO -0.55 -0.05 -0.30 0.00 -1.65 0.00 0.00 177.43 174.88 1i41 h ALA 299 N 1.64 -0.80 -0.76 -0.83 0.00 -1.59 -1.97 119.26 114.94 1i41 h ALA 299 Ca 0.44 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1i41 h ALA 299 Cb 0.78 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 1i41 h ALA 299 CO -0.53 -0.96 -0.48 0.00 0.00 0.00 0.00 179.25 177.28 1i41 h ALA 300 N -0.37 -0.34 -0.38 0.00 0.00 0.32 -0.07 119.26 118.42 1i41 h ALA 300 Ca -0.07 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1i41 h ALA 300 Cb 0.63 1.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 1i41 h ALA 300 CO 0.09 -0.85 -0.09 -0.92 0.00 0.00 0.00 179.25 177.49 1i41 h TYR 301 N -0.14 -0.19 -0.85 0.00 3.20 -0.64 -0.06 116.97 118.30 1i41 h TYR 301 Ca 0.20 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.29 1i41 h TYR 301 Cb 0.53 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.88 1i41 h TYR 301 CO -0.84 -0.16 0.57 -0.07 -1.64 0.00 0.00 178.16 176.03 1i41 h LEU 302 N 0.01 0.39 -0.02 2.82 3.38 -0.25 0.31 115.31 121.94 1i41 h LEU 302 Ca 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1i41 h LEU 302 Cb 0.28 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1i41 h LEU 302 CO -0.38 0.17 -0.05 0.40 0.09 0.00 0.00 178.44 178.67 1i41 h ILE 303 N 0.39 1.45 -0.58 1.22 5.03 -0.31 0.21 117.51 124.93 1i41 h ILE 303 Ca 0.43 -1.40 0.11 0.00 -0.12 0.00 0.00 64.86 63.89 1i41 h ILE 303 Cb 1.08 2.34 -0.08 0.00 -3.03 0.00 0.00 36.82 37.12 1i41 h ILE 303 CO -0.15 0.37 0.10 0.40 -0.68 0.00 0.00 178.15 178.19 1i41 h ILE 304 N -0.48 0.64 -0.66 -0.67 2.04 0.15 0.38 117.51 118.91 1i41 h ILE 304 Ca 0.00 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1i41 h ILE 304 Cb 0.63 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1i41 h ILE 304 CO 0.01 0.04 0.30 -0.09 0.00 0.00 0.00 178.15 178.41 1i41 h ARG 305 N 0.23 0.97 -0.56 2.37 2.43 -0.43 -2.51 114.38 116.87 1i41 h ARG 305 Ca 0.30 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1i41 h ARG 305 Cb 0.44 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1i41 h ARG 305 CO -0.40 0.78 0.06 0.78 -1.51 0.00 0.00 179.97 179.68 1i41 h GLY 306 N 0.92 1.00 2.00 2.80 0.00 0.97 -2.25 103.07 108.51 1i41 h GLY 306 Ca 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1i41 h GLY 306 CO -0.02 0.61 0.00 1.03 0.00 0.00 0.00 176.54 178.15 1i41 n MET 307 N -4.22 0.17 0.07 4.80 2.81 0.12 -2.46 117.12 118.41 1i41 n MET 307 Ca 0.03 0.38 0.17 0.00 -1.81 0.00 0.00 57.70 56.47 1i41 n MET 307 Cb 0.29 -1.81 0.67 0.00 -0.71 0.00 0.00 33.22 31.66 1i41 n MET 307 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i41 h LYS 308 N 0.00 0.01 -0.67 0.03 1.79 -0.98 -1.38 116.57 115.37 1i41 h LYS 308 Ca 0.00 -0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 1i41 h LYS 308 Cb 0.38 -0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.63 1i41 h LYS 308 CO 0.00 0.01 -0.83 0.25 -1.08 0.00 0.00 179.45 177.80 1i41 n THR 309 N -4.42 2.38 0.33 -0.16 -2.24 -1.03 -4.65 114.28 104.49 1i41 n THR 309 Ca 0.06 -4.02 -0.13 0.00 -2.27 0.00 0.00 64.05 57.69 1i41 n THR 309 Cb 0.46 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 1i41 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i41 h LEU 310 N 2.14 -0.72 -0.23 3.22 5.85 -1.31 -2.50 115.31 121.75 1i41 h LEU 310 Ca 0.30 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.08 1i41 h LEU 310 Cb 1.49 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.64 1i41 h LEU 310 CO 0.66 -0.49 -0.50 1.12 -0.34 0.00 0.00 178.44 178.88 1i41 h HIS 311 N -0.89 -1.51 -0.87 1.25 2.07 -1.89 -0.13 115.15 113.18 1i41 h HIS 311 Ca -0.09 0.06 0.21 0.00 -2.85 0.00 0.00 60.37 57.71 1i41 h HIS 311 Cb 0.65 0.69 -0.16 0.00 2.57 0.00 0.00 27.41 31.17 1i41 h HIS 311 CO 0.07 -0.48 0.01 -0.07 -3.07 0.00 0.00 177.93 174.40 1i41 h LEU 312 N -0.46 -0.41 -0.30 6.12 3.38 -1.93 0.24 115.31 121.95 1i41 h LEU 312 Ca 0.04 0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1i41 h LEU 312 Cb 0.58 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1i41 h LEU 312 CO -0.46 -0.25 -0.04 0.03 0.09 0.00 0.00 178.44 177.81 1i41 h ARG 313 N 0.07 0.55 0.58 1.13 3.08 -0.79 -2.84 114.38 116.17 1i41 h ARG 313 Ca 0.50 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 1i41 h ARG 313 Cb 0.94 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.96 1i41 h ARG 313 CO -0.79 0.73 -0.28 0.28 -1.07 0.00 0.00 179.97 178.84 1i41 h VAL 314 N 0.33 0.41 -0.60 2.04 2.07 0.72 -2.38 116.25 118.84 1i41 h VAL 314 Ca 0.08 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1i41 h VAL 314 Cb 0.50 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1i41 h VAL 314 CO 0.02 0.02 -0.36 0.00 0.02 0.00 0.00 177.57 177.27 1i41 n GLN 315 N -5.40 -0.27 -0.12 1.57 6.02 0.67 0.96 117.38 120.81 1i41 n GLN 315 Ca -0.12 1.29 -0.05 0.00 -0.01 0.00 0.00 57.00 58.11 1i41 n GLN 315 Cb 0.33 -1.91 0.02 0.00 1.02 0.00 0.00 30.24 29.70 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 0.06 -0.64 -1.09 5.75 -1.51 -1.98 115.11 115.70 1i41 h GLN 316 Ca 0.10 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1i41 h GLN 316 Cb 0.25 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1i41 h GLN 316 CO -0.57 0.04 0.28 1.96 -2.65 0.00 0.00 178.83 177.89 1i41 h GLN 317 N 0.06 0.94 -1.00 1.69 4.20 -0.62 -1.42 115.11 118.97 1i41 h GLN 317 Ca 0.20 -0.16 0.18 0.00 0.06 0.00 0.00 58.65 58.92 1i41 h GLN 317 Cb 0.29 -0.16 -0.10 0.00 0.30 0.00 0.00 27.48 27.81 1i41 h GLN 317 CO -0.36 0.78 0.61 -0.91 -0.67 0.00 0.00 178.83 178.27 1i41 h ASN 318 N 0.89 0.80 0.00 1.46 2.35 0.13 -1.52 115.58 119.69 1i41 h ASN 318 Ca 0.22 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1i41 h ASN 318 Cb 0.17 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1i41 h ASN 318 CO -0.02 0.31 0.00 -1.20 -1.65 0.00 0.00 177.43 174.87 1i41 n SER 319 N -4.75 0.00 -0.12 5.81 7.64 -0.91 -2.81 113.62 118.48 1i41 n SER 319 Ca 0.22 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1i41 n SER 319 Cb 0.53 -0.06 0.02 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.67 -0.16 0.05 0.44 -1.04 -0.58 0.24 114.28 112.56 1i41 n THR 320 Ca 0.00 0.72 -0.04 0.00 -2.04 0.00 0.00 64.05 62.69 1i41 n THR 320 Cb 0.00 -0.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.53 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 0.46 -0.76 -0.21 2.41 0.00 -1.41 0.33 119.26 120.08 1i41 h ALA 321 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1i41 h ALA 321 Cb 0.19 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1i41 h ALA 321 CO -0.31 -0.78 -0.14 1.25 0.00 0.00 0.00 179.25 179.28 1i41 h LEU 322 N -0.19 -0.50 -0.51 0.00 5.85 -0.04 1.12 115.31 121.03 1i41 h LEU 322 Ca -0.01 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1i41 h LEU 322 Cb 0.18 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 1i41 h LEU 322 CO -0.03 -0.06 -0.26 0.03 -0.34 0.00 0.00 178.44 177.77 1i41 h ARG 323 N -0.02 -0.14 -0.44 1.25 3.08 -1.34 0.37 114.38 117.15 1i41 h ARG 323 Ca 0.03 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1i41 h ARG 323 Cb 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1i41 h ARG 323 CO -0.21 -0.09 0.29 0.52 -1.07 0.00 0.00 179.97 179.41 1i41 h MET 324 N -0.14 0.52 0.22 0.04 2.86 0.86 -1.68 114.93 117.60 1i41 h MET 324 Ca 0.23 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1i41 h MET 324 Cb 0.51 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1i41 h MET 324 CO -0.60 0.34 -0.15 0.00 1.06 0.00 0.00 176.91 177.57 1i41 h ALA 325 N 1.74 -0.99 -0.78 6.32 0.00 0.54 -0.91 119.26 125.18 1i41 h ALA 325 Ca 0.17 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1i41 h ALA 325 Cb 0.02 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 1i41 h ALA 325 CO -0.04 -0.98 -0.38 0.93 0.00 0.00 0.00 179.25 178.78 1i41 h GLU 326 N -0.35 -0.09 -0.81 0.00 5.08 -1.00 0.61 114.58 118.03 1i41 h GLU 326 Ca -0.03 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1i41 h GLU 326 Cb 0.28 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.44 1i41 h GLU 326 CO 0.02 -0.06 0.28 0.82 -1.00 0.00 0.00 179.01 179.07 1i41 h ILE 327 N -0.09 0.51 -0.36 3.13 2.04 -1.22 -0.81 117.51 120.71 1i41 h ILE 327 Ca 0.28 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 1i41 h ILE 327 Cb 0.57 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1i41 h ILE 327 CO -0.83 0.06 -0.01 -0.07 0.00 0.00 0.00 178.15 177.31 1i41 h LEU 328 N 0.34 0.62 -0.88 1.44 3.38 0.16 -2.21 115.31 118.18 1i41 h LEU 328 Ca 0.47 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1i41 h LEU 328 Cb 0.84 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1i41 h LEU 328 CO -0.51 0.79 0.55 -0.08 0.09 0.00 0.00 178.44 179.27 1i41 h GLU 329 N 0.45 0.97 0.00 1.13 4.81 0.32 -0.63 114.58 121.63 1i41 h GLU 329 Ca 0.10 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1i41 h GLU 329 Cb 0.47 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1i41 h GLU 329 CO 0.02 0.64 -0.20 0.00 -0.73 0.00 0.00 179.01 178.74 1i41 h ALA 330 N 1.41 1.00 -2.90 2.92 0.00 -1.18 -3.45 119.26 117.06 1i41 h ALA 330 Ca 0.38 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.57 1i41 h ALA 330 Cb 0.16 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.02 1i41 h ALA 330 CO -0.17 0.25 0.82 -1.58 0.00 0.00 0.00 179.25 178.57 1i41 s HIS 331 N -3.59 2.64 0.16 0.00 5.65 -0.25 -4.93 115.29 114.98 1i41 s HIS 331 Ca 0.01 1.04 -0.10 0.00 0.25 0.00 0.00 55.06 56.27 1i41 s HIS 331 Cb 0.10 -4.04 0.01 0.00 -1.18 0.00 0.00 32.58 27.47 1i41 s HIS 331 CO 0.63 -3.19 1.53 -1.00 -0.65 0.00 0.00 174.74 172.06 1i41 h PRO 332 N 3.61 0.94 0.00 2.88 0.13 -1.87 -3.09 132.00 134.61 1i41 h PRO 332 Ca -0.50 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1i41 h PRO 332 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1i41 h PRO 332 CO 0.69 1.10 0.00 1.63 -0.23 0.00 0.00 178.00 181.20 1i41 n LYS 333 N -4.08 0.06 -3.13 0.86 5.02 -1.26 -4.58 118.16 111.04 1i41 n LYS 333 Ca -0.01 0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 56.04 1i41 n LYS 333 Cb 0.50 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 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 -3.06 4.84 0.13 -0.18 1.01 -1.17 -0.09 120.40 121.88 1i41 s VAL 334 Ca 0.09 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 1i41 s VAL 334 Cb 0.13 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1i41 s VAL 334 CO 0.41 -0.72 1.58 -0.09 0.00 0.00 0.00 175.10 176.27 1i41 h ARG 335 N 8.96 0.77 -2.84 2.72 2.43 -1.61 -3.46 114.38 121.36 1i41 h ARG 335 Ca -0.27 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 58.58 1i41 h ARG 335 Cb 1.09 -0.07 -0.17 0.00 -0.42 0.00 0.00 29.97 30.41 1i41 h ARG 335 CO 0.93 0.85 -0.05 -1.58 -1.51 0.00 0.00 179.97 178.62 1i41 s HIS 336 N -4.98 -0.35 -0.04 2.20 5.04 -1.14 -4.99 115.29 111.03 1i41 s HIS 336 Ca -0.13 0.40 0.01 0.00 -1.54 0.00 0.00 55.06 53.80 1i41 s HIS 336 Cb 0.11 0.27 0.02 0.00 0.04 0.00 0.00 32.58 33.02 1i41 s HIS 336 CO 0.81 -0.58 -0.03 0.08 -2.34 0.00 0.00 174.74 172.68 1i41 s VAL 337 N -2.21 0.38 -0.26 0.89 1.01 -1.26 -1.33 120.40 117.62 1i41 s VAL 337 Ca -0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1i41 s VAL 337 Cb -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 1i41 s VAL 337 CO -0.00 0.19 0.04 -0.31 0.00 0.00 0.00 175.10 175.02 1i41 s TYR 338 N 0.97 3.08 -0.29 5.22 1.51 0.90 -4.82 117.35 123.92 1i41 s TYR 338 Ca -0.10 -0.90 -0.15 0.00 -1.01 0.00 0.00 57.07 54.91 1i41 s TYR 338 Cb -0.14 -2.20 0.15 0.00 -0.11 0.00 0.00 41.96 39.66 1i41 s TYR 338 CO -0.01 -0.54 0.92 -0.47 -1.11 0.00 0.00 175.55 174.35 1i41 s TYR 339 N 1.50 -0.74 0.33 2.71 5.04 -1.26 -2.84 117.35 122.08 1i41 s TYR 339 Ca 0.04 1.38 0.30 0.00 -2.44 0.00 0.00 57.07 56.35 1i41 s TYR 339 Cb -0.16 0.45 1.63 0.00 0.35 0.00 0.00 41.96 44.23 1i41 s TYR 339 CO 0.01 -0.37 1.90 -1.35 -1.34 0.00 0.00 175.55 174.40 1i41 h PRO 340 N 6.92 0.00 -0.01 4.97 0.11 -1.86 -0.95 132.00 141.18 1i41 h PRO 340 Ca -0.22 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.70 1i41 h PRO 340 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1i41 h PRO 340 CO 0.14 0.00 -0.81 0.78 -0.21 0.00 0.00 178.00 177.89 1i41 h GLY 341 N 0.00 0.19 -1.75 -0.55 0.00 -1.94 -3.43 103.07 95.58 1i41 h GLY 341 Ca 0.00 -0.31 -0.51 0.00 0.00 0.00 0.00 47.33 46.51 1i41 h GLY 341 CO 0.00 0.27 0.38 1.08 0.00 0.00 0.00 176.54 178.28 1i41 s LEU 342 N -7.48 3.44 0.33 3.11 1.43 -0.36 -4.94 118.68 114.22 1i41 s LEU 342 Ca -0.03 2.03 0.18 0.00 -1.03 0.00 0.00 54.13 55.28 1i41 s LEU 342 Cb 0.11 -4.56 0.28 0.00 0.03 0.00 0.00 46.19 42.05 1i41 s LEU 342 CO 0.82 -1.57 1.55 1.56 0.23 0.00 0.00 176.35 178.93 1i41 h GLN 343 N 0.20 0.00 0.00 1.70 4.20 -1.88 -3.14 115.11 116.19 1i41 h GLN 343 Ca -0.47 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.19 1i41 h GLN 343 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1i41 h GLN 343 CO 0.54 0.39 -0.24 0.66 -0.67 0.00 0.00 178.83 179.52 1i41 h SER 344 N 0.00 0.00 -2.62 1.46 4.64 -1.92 -3.45 113.55 111.66 1i41 h SER 344 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 1i41 h SER 344 Cb 1.20 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.34 1i41 h SER 344 CO 0.05 0.24 1.04 -2.28 -0.87 0.00 0.00 176.83 175.01 1i41 s HIS 345 N -4.14 2.59 0.30 4.77 5.04 -1.19 -4.91 115.29 117.75 1i41 s HIS 345 Ca -0.02 0.21 0.02 0.00 -1.54 0.00 0.00 55.06 53.73 1i41 s HIS 345 Cb 0.13 -4.13 0.73 0.00 0.04 0.00 0.00 32.58 29.35 1i41 s HIS 345 CO 0.65 -4.46 1.61 -1.35 -2.34 0.00 0.00 174.74 168.85 1i41 h PRO 346 N 7.59 0.09 -0.46 2.88 0.11 -1.91 -0.84 132.00 139.46 1i41 h PRO 346 Ca -0.44 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1i41 h PRO 346 Cb 1.21 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 1i41 h PRO 346 CO 0.95 0.06 0.08 -0.85 -0.21 0.00 0.00 178.00 178.03 1i41 n GLU 347 N -5.36 2.32 -0.30 1.05 0.00 -1.26 -4.69 120.64 112.40 1i41 n GLU 347 Ca 0.22 -3.07 0.18 0.00 0.00 0.00 0.00 57.16 54.49 1i41 n GLU 347 Cb 0.73 -1.91 0.45 0.00 0.00 0.00 0.00 31.44 30.70 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 1.34 0.74 -0.13 -1.84 2.76 -1.41 0.27 115.15 116.88 1i41 h HIS 348 Ca 0.24 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1i41 h HIS 348 Cb 1.85 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.57 1i41 h HIS 348 CO 1.02 0.16 -0.18 1.12 -1.30 0.00 0.00 177.93 178.74 1i41 h HIS 349 N 0.52 0.23 0.02 5.26 2.07 -1.84 0.11 115.15 121.52 1i41 h HIS 349 Ca 0.54 -0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 57.97 1i41 h HIS 349 Cb 1.17 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 31.09 1i41 h HIS 349 CO -0.00 0.40 -0.23 0.82 -3.07 0.00 0.00 177.93 175.85 1i41 h ILE 350 N 0.20 1.61 -0.58 6.12 2.04 -0.92 -2.30 117.51 123.67 1i41 h ILE 350 Ca 0.04 -2.09 0.11 0.00 1.00 0.00 0.00 64.86 63.92 1i41 h ILE 350 Cb 0.44 2.97 -0.08 0.00 -0.74 0.00 0.00 36.82 39.41 1i41 h ILE 350 CO 0.03 0.56 0.13 0.00 0.00 0.00 0.00 178.15 178.87 1i41 h ALA 351 N 0.18 0.69 0.00 1.87 0.00 -0.81 0.41 119.26 121.60 1i41 h ALA 351 Ca -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1i41 h ALA 351 Cb 1.05 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1i41 h ALA 351 CO 0.04 -0.30 -0.12 -0.22 0.00 0.00 0.00 179.25 178.66 1i41 h LYS 352 N 0.27 0.00 0.00 0.00 3.64 -0.81 0.12 116.57 119.78 1i41 h LYS 352 Ca 0.30 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.45 1i41 h LYS 352 Cb 0.44 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1i41 h LYS 352 CO -0.38 0.12 -1.44 -0.22 -2.27 0.00 0.00 179.45 175.26 1i41 h LYS 353 N 0.00 0.00 0.00 1.90 3.64 0.27 -3.40 116.57 118.98 1i41 h LYS 353 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i41 h LYS 353 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1i41 h LYS 353 CO 0.02 0.52 -1.28 0.00 -2.27 0.00 0.00 179.45 176.43 1i41 n GLN 354 N -3.06 0.76 -3.33 1.90 10.64 0.43 -5.04 117.38 119.68 1i41 n GLN 354 Ca -0.11 -0.07 -0.19 0.00 -1.83 0.00 0.00 57.00 54.80 1i41 n GLN 354 Cb 0.96 -1.17 -0.01 0.00 -0.86 0.00 0.00 30.24 29.15 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 -2.52 2.71 0.00 2.61 -1.94 0.40 -4.58 119.30 115.98 1i41 s MET 355 Ca -0.02 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 52.59 1i41 s MET 355 Cb 0.06 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.32 1i41 s MET 355 CO 0.37 -0.20 0.00 0.25 -0.01 0.00 0.00 175.02 175.43 1i41 n THR 356 N -1.68 0.00 -4.23 2.05 -2.24 -0.72 -4.74 114.28 102.73 1i41 n THR 356 Ca 0.05 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.41 1i41 n THR 356 Cb 0.60 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.74 2.07 -0.05 3.38 0.00 -1.25 -5.04 107.32 105.69 1i41 s GLY 357 Ca 0.00 -1.91 0.19 0.00 0.00 0.00 0.00 44.72 42.99 1i41 s GLY 357 CO 0.00 -1.34 1.16 0.69 0.00 0.00 0.00 173.10 173.61 1i41 n PHE 358 N -0.60 0.00 -2.79 1.90 3.72 -1.26 -4.96 117.46 113.48 1i41 n PHE 358 Ca 0.05 -0.68 0.06 0.00 -0.05 0.00 0.00 57.45 56.83 1i41 n PHE 358 Cb 0.62 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.04 -1.72 0.01 1.37 0.00 -1.26 -4.58 105.19 98.97 1i41 n GLY 359 Ca 0.09 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.41 0.54 3.76 -0.02 0.00 -1.26 -4.07 105.19 102.73 1i41 n GLY 360 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1i41 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 361 N -0.46 3.50 -0.04 4.61 0.00 -1.26 -2.53 121.76 125.57 1i41 s ALA 361 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 1i41 s ALA 361 Cb 0.00 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1i41 s ALA 361 CO 0.00 0.17 0.03 0.08 0.00 0.00 0.00 175.76 176.04 1i41 s VAL 362 N -0.17 0.07 0.02 0.00 1.01 0.34 -4.93 120.40 116.73 1i41 s VAL 362 Ca 0.30 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.54 1i41 s VAL 362 Cb -0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1i41 s VAL 362 CO 0.16 0.17 0.02 -0.44 0.00 0.00 0.00 175.10 175.02 1i41 s SER 363 N 1.64 5.23 -0.28 3.32 0.01 -1.13 0.75 113.70 123.23 1i41 s SER 363 Ca -0.01 -0.02 -0.22 0.00 1.31 0.00 0.00 55.95 57.01 1i41 s SER 363 Cb -0.13 -1.37 0.11 0.00 0.21 0.00 0.00 66.02 64.84 1i41 s SER 363 CO -0.03 0.25 0.88 0.72 0.41 0.00 0.00 173.24 175.47 1i41 s PHE 364 N -1.18 -0.67 0.11 2.43 -0.71 0.15 -0.07 117.98 118.04 1i41 s PHE 364 Ca 0.22 1.52 -0.21 0.00 -1.04 0.00 0.00 56.93 57.42 1i41 s PHE 364 Cb -0.12 0.38 -0.07 0.00 -1.21 0.00 0.00 43.02 42.00 1i41 s PHE 364 CO 0.14 -0.33 0.64 -1.21 -1.34 0.00 0.00 175.22 173.11 1i41 s GLU 365 N 0.72 4.30 0.05 1.99 2.02 -0.44 -1.00 118.70 126.33 1i41 s GLU 365 Ca -0.02 0.85 -0.06 0.00 0.02 0.00 0.00 54.97 55.76 1i41 s GLU 365 Cb -0.05 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 1i41 s GLU 365 CO -0.08 0.60 0.31 0.08 0.02 0.00 0.00 175.26 176.18 1i41 s VAL 366 N -1.17 5.25 -1.18 2.63 1.01 -1.22 -1.81 120.40 123.91 1i41 s VAL 366 Ca 0.32 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 1i41 s VAL 366 Cb -0.20 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1i41 s VAL 366 CO 0.21 0.28 2.02 -0.67 0.00 0.00 0.00 175.10 176.95 1i41 n ASP 367 N 0.86 3.51 0.00 3.32 2.03 0.87 -4.69 116.55 122.45 1i41 n ASP 367 Ca -0.09 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1i41 n ASP 367 Cb 0.52 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 4.62 2.08 0.00 0.27 0.00 -1.26 -5.02 105.19 105.88 1i41 n GLY 368 Ca 0.50 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.29 0.00 1.61 5.75 -1.26 -4.79 116.55 119.15 1i41 n ASP 369 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 1i41 n ASP 369 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 -0.24 -2.12 -0.00 -1.26 0.75 117.00 114.13 1i41 n LEU 370 Ca 0.00 0.87 0.19 0.00 -0.00 0.00 0.00 56.01 57.07 1i41 n LEU 370 Cb 0.00 -0.37 0.50 0.00 -0.00 0.00 0.00 43.42 43.55 1i41 n LEU 370 CO 0.00 -0.37 1.22 -0.07 -0.00 0.00 0.00 177.39 178.17 1i41 h LEU 371 N 0.00 0.42 0.15 -1.96 -0.00 -1.97 0.43 115.31 112.37 1i41 h LEU 371 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1i41 h LEU 371 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1i41 h LEU 371 CO 0.00 0.17 -0.07 0.74 -0.00 0.00 0.00 178.44 179.28 1i41 h THR 372 N 0.42 1.00 -0.94 0.22 2.02 -1.60 -0.86 112.91 113.18 1i41 h THR 372 Ca 0.46 -0.94 0.08 0.00 0.77 0.00 0.00 66.41 66.79 1i41 h THR 372 Cb 1.13 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 69.02 1i41 h THR 372 CO -0.18 0.21 0.58 0.74 0.37 0.00 0.00 175.52 177.25 1i41 h THR 373 N -0.67 1.00 0.47 3.16 2.02 0.97 -1.38 112.91 118.48 1i41 h THR 373 Ca -0.02 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1i41 h THR 373 Cb 0.50 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1i41 h THR 373 CO 0.03 0.18 -0.34 0.00 0.37 0.00 0.00 175.52 175.76 1i41 h ALA 374 N 1.46 -0.81 -1.15 6.16 0.00 -0.89 -1.80 119.26 122.24 1i41 h ALA 374 Ca 0.43 -0.15 0.40 0.00 0.00 0.00 0.00 54.91 55.59 1i41 h ALA 374 Cb 0.28 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 18.38 1i41 h ALA 374 CO -0.21 -0.98 0.69 -0.22 0.00 0.00 0.00 179.25 178.53 1i41 h LYS 375 N -0.79 0.13 0.52 0.00 3.64 -0.07 -0.27 116.57 119.74 1i41 h LYS 375 Ca -0.05 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1i41 h LYS 375 Cb 0.67 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1i41 h LYS 375 CO 0.01 0.09 -0.25 0.35 -2.27 0.00 0.00 179.45 177.38 1i41 h PHE 376 N 0.14 -0.65 -1.00 1.91 3.57 -0.71 -2.65 116.94 117.55 1i41 h PHE 376 Ca 0.80 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.44 1i41 h PHE 376 Cb 2.22 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 41.08 1i41 h PHE 376 CO -0.01 -0.40 0.62 -0.39 -2.23 0.00 0.00 178.31 175.90 1i41 h VAL 377 N -0.80 0.82 -0.26 1.41 -1.51 -0.91 0.13 116.25 115.12 1i41 h VAL 377 Ca -0.07 -0.30 0.04 0.00 -1.23 0.00 0.00 66.70 65.13 1i41 h VAL 377 Cb 0.54 -0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 29.55 1i41 h VAL 377 CO 0.12 0.16 0.17 0.44 -1.23 0.00 0.00 177.57 177.23 1i41 h ASP 378 N 0.88 0.17 0.69 4.19 5.19 -1.08 -1.53 116.42 124.91 1i41 h ASP 378 Ca 0.53 -0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.78 1i41 h ASP 378 Cb 0.69 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1i41 h ASP 378 CO -0.31 0.12 -0.75 0.00 -3.12 0.00 0.00 179.24 175.17 1i41 h ALA 379 N 1.86 0.74 -2.31 3.45 0.00 -0.37 -3.45 119.26 119.18 1i41 h ALA 379 Ca 0.11 -0.67 -0.59 0.00 0.00 0.00 0.00 54.91 53.76 1i41 h ALA 379 Cb 0.19 -0.11 0.12 0.00 0.00 0.00 0.00 17.79 18.00 1i41 h ALA 379 CO -0.02 0.91 0.19 1.28 0.00 0.00 0.00 179.25 181.61 1i41 n LEU 380 N -3.67 2.48 -0.02 0.00 4.77 -0.58 -4.90 117.00 115.08 1i41 n LEU 380 Ca -0.01 1.10 -0.01 0.00 -0.03 0.00 0.00 56.01 57.05 1i41 n LEU 380 Cb 0.73 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.41 1i41 n LEU 380 CO 0.44 -1.34 -0.67 0.29 -1.33 0.00 0.00 177.39 174.78 1i41 n LYS 381 N 0.37 2.08 -0.08 3.23 4.76 -1.26 -4.84 118.16 122.41 1i41 n LYS 381 Ca 0.09 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 1i41 n LYS 381 Cb 0.37 -1.17 -0.08 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.73 -4.11 -0.18 2.04 -1.96 -3.47 117.51 110.55 1i41 h ILE 382 Ca -0.12 -1.78 -0.49 0.00 1.00 0.00 0.00 64.86 63.46 1i41 h ILE 382 Cb 1.07 1.61 0.07 0.00 -0.74 0.00 0.00 36.82 38.83 1i41 h ILE 382 CO 0.01 0.25 0.41 -2.16 0.00 0.00 0.00 178.15 176.65 1i41 s PRO 383 N -2.22 3.36 -0.01 2.37 0.04 -1.26 -4.73 135.00 132.54 1i41 s PRO 383 Ca -0.20 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.14 1i41 s PRO 383 Cb 0.03 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1i41 s PRO 383 CO 0.45 -0.82 0.46 0.71 0.04 0.00 0.00 177.00 177.84 1i41 s TYR 384 N -1.99 3.69 -0.56 0.56 2.02 -0.04 -4.81 117.35 116.22 1i41 s TYR 384 Ca 0.70 1.03 -0.26 0.00 -0.37 0.00 0.00 57.07 58.16 1i41 s TYR 384 Cb -0.21 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1i41 s TYR 384 CO 0.29 0.52 1.05 0.42 -1.57 0.00 0.00 175.55 176.26 1i41 s ILE 385 N -0.67 4.23 0.04 2.71 1.01 -1.26 -1.25 121.20 126.01 1i41 s ILE 385 Ca 0.25 0.55 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 1i41 s ILE 385 Cb -0.17 -4.62 0.10 0.00 0.01 0.00 0.00 42.46 37.78 1i41 s ILE 385 CO 0.14 -1.21 1.10 0.00 0.00 0.00 0.00 174.94 174.97 1i41 s ALA 386 N 4.38 -1.93 1.00 9.38 0.00 -0.75 -4.96 121.76 128.87 1i41 s ALA 386 Ca 0.36 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1i41 s ALA 386 Cb -0.10 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1i41 s ALA 386 CO 0.22 -0.96 0.00 -2.30 0.00 0.00 0.00 175.76 172.72 1i41 n PRO 387 N -0.41 1.31 -1.38 0.00 -0.02 -1.26 -4.44 135.00 128.80 1i41 n PRO 387 Ca -0.07 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.59 1i41 n PRO 387 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.03 1i41 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i41 n SER 388 N 0.00 -8.09 -3.60 2.55 2.88 -1.26 -4.94 113.62 101.15 1i41 n SER 388 Ca 0.00 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1i41 n SER 388 Cb 0.00 -4.39 -0.01 0.00 -0.75 0.00 0.00 64.21 59.06 1i41 n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i41 s PHE 389 N -2.94 -0.04 0.00 0.66 -0.12 -1.26 -4.93 117.98 109.35 1i41 s PHE 389 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 1i41 s PHE 389 Cb 0.00 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 1i41 s PHE 389 CO 0.00 -0.11 0.00 0.41 -0.05 0.00 0.00 175.22 175.47 1i41 n GLY 390 N -0.29 0.54 3.98 1.99 0.00 -1.26 -4.17 105.19 105.97 1i41 n GLY 390 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.08 1.61 0.46 -0.02 0.00 -1.26 -4.04 107.32 102.99 1i41 s GLY 391 Ca 0.00 -1.32 0.17 0.00 0.00 0.00 0.00 44.72 43.57 1i41 s GLY 391 CO 0.00 -1.19 1.97 0.00 0.00 0.00 0.00 173.10 173.88 1i41 s GLU 393 N -5.30 4.49 0.21 0.00 8.01 -1.26 -0.69 118.70 124.16 1i41 s GLU 393 Ca -0.07 1.24 -0.19 0.00 0.01 0.00 0.00 54.97 55.96 1i41 s GLU 393 Cb 0.20 -2.69 -0.08 0.00 -4.31 0.00 0.00 34.13 27.25 1i41 s GLU 393 CO 0.75 0.23 0.70 -1.12 0.01 0.00 0.00 175.26 175.83 1i41 s SER 394 N -1.73 7.03 0.01 -0.19 0.01 -1.26 -4.22 113.70 113.36 1i41 s SER 394 Ca 0.52 1.38 0.02 0.00 1.31 0.00 0.00 55.95 59.17 1i41 s SER 394 Cb -0.17 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1i41 s SER 394 CO 0.21 0.05 -0.07 -0.63 0.41 0.00 0.00 173.24 173.22 1i41 s ILE 395 N -1.50 0.51 0.12 1.44 1.01 -0.58 -0.86 121.20 121.34 1i41 s ILE 395 Ca 0.42 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1i41 s ILE 395 Cb -0.17 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1i41 s ILE 395 CO 0.21 -0.04 -0.12 0.68 0.00 0.00 0.00 174.94 175.68 1i41 s VAL 396 N -0.55 1.16 -0.03 2.92 -7.23 -0.38 -0.28 120.40 116.00 1i41 s VAL 396 Ca -0.02 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 1i41 s VAL 396 Cb -0.05 -1.56 0.11 0.00 0.56 0.00 0.00 36.38 35.44 1i41 s VAL 396 CO 0.00 -0.56 0.90 1.51 -0.31 0.00 0.00 175.10 176.64 1i41 s ASP 397 N -2.65 -0.38 -0.85 4.85 -4.77 -1.12 -1.80 116.67 109.94 1i41 s ASP 397 Ca 0.10 0.09 -0.04 0.00 -3.30 0.00 0.00 52.55 49.40 1i41 s ASP 397 Cb -0.02 0.38 0.21 0.00 -1.09 0.00 0.00 42.92 42.40 1i41 s ASP 397 CO 0.01 -0.57 0.74 -1.58 0.70 0.00 0.00 175.17 174.47 1i41 s GLN 398 N -2.72 3.24 0.17 2.11 0.74 -1.26 -1.97 119.66 119.96 1i41 s GLN 398 Ca 0.03 -3.06 0.07 0.00 0.05 0.00 0.00 55.36 52.45 1i41 s GLN 398 Cb -0.01 -4.00 0.55 0.00 1.10 0.00 0.00 33.01 30.65 1i41 s GLN 398 CO -0.07 -1.25 0.75 -2.30 -0.55 0.00 0.00 175.29 171.88 1i41 n PRO 399 N 2.73 -0.03 -0.17 1.67 -0.02 -1.26 0.17 135.00 138.09 1i41 n PRO 399 Ca 0.18 0.68 -0.03 0.00 -2.02 0.00 0.00 63.50 62.31 1i41 n PRO 399 Cb 0.38 -1.17 0.04 0.00 -0.02 0.00 0.00 33.50 32.73 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 0.95 0.29 0.00 3.55 0.00 -1.84 -1.14 119.26 121.08 1i41 h ALA 400 Ca 0.37 0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.37 1i41 h ALA 400 Cb 0.91 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1i41 h ALA 400 CO -0.40 -0.47 -0.73 0.82 0.00 0.00 0.00 179.25 178.48 1i41 h ILE 401 N -0.03 0.59 -1.15 0.00 2.04 0.14 -0.13 117.51 118.97 1i41 h ILE 401 Ca 0.25 -1.66 0.37 0.00 1.00 0.00 0.00 64.86 64.82 1i41 h ILE 401 Cb 0.41 1.34 -0.13 0.00 -0.74 0.00 0.00 36.82 37.69 1i41 h ILE 401 CO -0.55 0.20 0.71 -0.03 0.00 0.00 0.00 178.15 178.49 1i41 h MET 402 N -1.00 0.20 -0.03 2.37 4.05 -0.62 -3.18 114.93 116.72 1i41 h MET 402 Ca -0.15 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.10 1i41 h MET 402 Cb 0.86 -0.04 -0.26 0.00 -0.80 0.00 0.00 31.60 31.36 1i41 h MET 402 CO -0.09 0.13 -0.65 0.43 0.23 0.00 0.00 176.91 176.96 1i41 n SER 403 N -4.83 -0.05 0.00 1.39 7.64 -0.44 -4.90 113.62 112.43 1i41 n SER 403 Ca 0.34 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 58.20 1i41 n SER 403 Cb 1.19 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 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 0.05 0.00 0.26 1.43 4.02 -1.13 -4.89 117.16 116.91 1i41 n TYR 404 Ca -0.11 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.92 1i41 n TYR 404 Cb 0.90 0.04 0.75 0.00 -0.02 0.00 0.00 39.34 41.00 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 -1.00 0.21 115.95 117.35 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 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 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 -2.60 0.00 -4.80 2.65 5.75 -1.26 -4.77 116.55 111.52 1i41 n ASP 406 Ca -0.02 0.10 -0.23 0.00 -0.01 0.00 0.00 54.79 54.63 1i41 n ASP 406 Cb 0.23 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 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 -2.63 3.19 0.54 -2.12 1.43 0.74 -5.13 118.68 114.70 1i41 s LEU 407 Ca 0.15 -0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 52.21 1i41 s LEU 407 Cb 0.12 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1i41 s LEU 407 CO 0.27 -0.63 0.89 -0.94 0.23 0.00 0.00 176.35 176.17 1i41 s SER 408 N -4.02 6.23 0.36 2.29 1.04 -1.26 -4.84 113.70 113.49 1i41 s SER 408 Ca 0.43 1.12 0.11 0.00 0.48 0.00 0.00 55.95 58.09 1i41 s SER 408 Cb 0.01 -2.32 0.87 0.00 0.10 0.00 0.00 66.02 64.67 1i41 s SER 408 CO 0.24 -0.71 1.84 -0.61 0.98 0.00 0.00 173.24 174.98 1i41 h GLN 409 N -0.01 0.62 0.11 4.02 5.75 -1.97 0.31 115.11 123.94 1i41 h GLN 409 Ca -0.46 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1i41 h GLN 409 Cb 1.20 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.61 1i41 h GLN 409 CO 0.62 0.41 -0.05 0.66 -2.65 0.00 0.00 178.83 177.81 1i41 h SER 410 N 0.63 -0.12 -0.31 -0.69 4.64 -1.99 -2.79 113.55 112.92 1i41 h SER 410 Ca 0.49 -0.42 0.09 0.00 -0.47 0.00 0.00 61.79 61.48 1i41 h SER 410 Cb 0.90 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1i41 h SER 410 CO -0.24 0.50 0.23 0.44 -0.87 0.00 0.00 176.83 176.89 1i41 h ASP 411 N -0.91 0.00 0.66 4.97 3.32 -1.84 -1.90 116.42 120.72 1i41 h ASP 411 Ca -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1i41 h ASP 411 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 1i41 h ASP 411 CO 0.02 0.00 -0.32 0.03 -1.72 0.00 0.00 179.24 177.26 1i41 h ARG 412 N 0.00 -0.86 0.00 3.56 3.08 -0.41 -2.37 114.38 117.38 1i41 h ARG 412 Ca 0.15 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1i41 h ARG 412 Cb 0.60 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1i41 h ARG 412 CO -0.00 -0.54 0.15 0.00 -1.07 0.00 0.00 179.97 178.51 1i41 h ALA 413 N -0.98 1.10 0.00 0.04 0.00 -1.09 -0.90 119.26 117.43 1i41 h ALA 413 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1i41 h ALA 413 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1i41 h ALA 413 CO 0.15 -0.10 0.21 -0.22 0.00 0.00 0.00 179.25 179.28 1i41 h LYS 414 N 0.00 0.00 -0.78 0.00 3.64 -0.81 -2.50 116.57 116.13 1i41 h LYS 414 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 1i41 h LYS 414 Cb 0.31 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.72 1i41 h LYS 414 CO 0.00 0.00 -1.07 0.66 -2.27 0.00 0.00 179.45 176.77 1i41 n TYR 415 N -2.88 1.65 0.00 1.91 4.01 -0.34 -4.99 117.16 116.52 1i41 n TYR 415 Ca -0.02 -2.47 0.00 0.00 -0.16 0.00 0.00 57.90 55.24 1i41 n TYR 415 Cb 0.26 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.42 1.10 3.52 2.72 0.00 -0.94 -4.90 105.19 106.28 1i41 n GLY 416 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.06 0.06 -4.04 -0.61 2.08 -1.25 -4.92 119.36 109.61 1i41 n ILE 417 Ca 0.00 -0.49 -0.23 0.00 0.56 0.00 0.00 62.75 62.59 1i41 n ILE 417 Cb 0.00 -2.11 -0.04 0.00 -0.75 0.00 0.00 39.64 36.75 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 7.61 3.13 0.03 0.38 -1.94 -1.26 -3.82 119.30 123.43 1i41 s MET 418 Ca 1.08 -0.87 0.16 0.00 -1.71 0.00 0.00 55.69 54.35 1i41 s MET 418 Cb -0.55 -2.73 0.67 0.00 2.01 0.00 0.00 34.83 34.24 1i41 s MET 418 CO 0.37 0.45 1.50 -0.25 -0.01 0.00 0.00 175.02 177.08 1i41 n ASP 419 N -0.96 0.08 -0.03 3.03 8.00 -1.26 -2.59 116.55 122.81 1i41 n ASP 419 Ca -0.08 0.52 -0.22 0.00 0.71 0.00 0.00 54.79 55.72 1i41 n ASP 419 Cb 0.56 -0.54 -0.13 0.00 -0.02 0.00 0.00 41.12 41.00 1i41 n ASP 419 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1i41 n ASN 420 N -1.58 2.05 -4.14 -2.24 5.03 -1.26 -4.20 115.26 108.91 1i41 n ASN 420 Ca 0.03 0.25 -0.58 0.00 0.87 0.00 0.00 54.58 55.15 1i41 n ASN 420 Cb 0.18 -0.87 -0.08 0.00 -1.02 0.00 0.00 39.78 37.99 1i41 n ASN 420 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1i41 n LEU 421 N -3.73 0.82 -4.13 3.41 7.94 -1.07 -3.46 117.00 116.79 1i41 n LEU 421 Ca -0.33 1.04 -0.26 0.00 -1.11 0.00 0.00 56.01 55.35 1i41 n LEU 421 Cb 0.95 -0.78 -0.16 0.00 0.53 0.00 0.00 43.42 43.96 1i41 n LEU 421 CO 0.35 -0.96 -0.50 -0.69 -1.11 0.00 0.00 177.39 174.48 1i41 s VAL 422 N 2.04 1.40 -0.26 1.96 1.01 -0.17 -4.28 120.40 122.10 1i41 s VAL 422 Ca 0.90 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1i41 s VAL 422 Cb -1.28 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1i41 s VAL 422 CO 0.67 0.40 0.00 -0.60 0.00 0.00 0.00 175.10 175.58 1i41 s ARG 423 N 0.08 3.02 -0.25 2.72 3.52 -0.83 -0.68 118.95 126.53 1i41 s ARG 423 Ca -0.04 -0.87 -0.08 0.00 -0.13 0.00 0.00 55.73 54.61 1i41 s ARG 423 Cb -0.12 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 1i41 s ARG 423 CO 0.02 -0.39 0.08 0.12 -0.81 0.00 0.00 175.30 174.32 1i41 s PHE 424 N 1.42 3.10 -0.79 5.12 2.19 0.23 -2.78 117.98 126.47 1i41 s PHE 424 Ca 0.02 -0.34 -0.09 0.00 0.33 0.00 0.00 56.93 56.84 1i41 s PHE 424 Cb -0.17 -2.24 0.21 0.00 -1.31 0.00 0.00 43.02 39.52 1i41 s PHE 424 CO -0.01 -0.31 0.70 0.45 1.83 0.00 0.00 175.22 177.88 1i41 s SER 425 N 1.53 6.29 0.10 6.13 0.15 0.62 -0.51 113.70 128.02 1i41 s SER 425 Ca 0.06 -2.88 -0.31 0.00 0.70 0.00 0.00 55.95 53.51 1i41 s SER 425 Cb -0.15 -2.08 -0.11 0.00 -1.71 0.00 0.00 66.02 61.97 1i41 s SER 425 CO 0.04 -0.46 1.85 0.49 1.20 0.00 0.00 173.24 176.36 1i41 n PHE 426 N 3.61 2.59 0.00 3.44 3.72 -1.05 -1.53 117.46 128.24 1i41 n PHE 426 Ca 0.13 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1i41 n PHE 426 Cb 0.43 -2.73 0.00 0.00 -0.94 0.00 0.00 39.48 36.23 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 4.26 -0.73 0.00 1.37 0.00 -1.26 -4.83 105.19 104.00 1i41 n GLY 427 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.76 1.61 0.31 0.14 -4.57 118.33 115.06 1i41 n VAL 428 Ca 0.00 -0.20 -0.33 0.00 -0.01 0.00 0.00 64.34 63.80 1i41 n VAL 428 Cb 0.00 1.48 0.14 0.00 -0.91 0.00 0.00 33.84 34.54 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 -0.08 -0.96 -2.02 5.55 4.71 -1.26 -4.85 120.64 121.74 1i41 n GLU 429 Ca 0.00 -0.26 -0.42 0.00 -0.01 0.00 0.00 57.16 56.48 1i41 n GLU 429 Cb 0.12 -1.64 -0.03 0.00 -1.01 0.00 0.00 31.44 28.89 1i41 n GLU 429 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1i41 s ASP 430 N -1.76 6.66 0.06 1.62 2.15 -1.26 -4.89 116.67 119.25 1i41 s ASP 430 Ca 0.53 2.62 -0.16 0.00 0.43 0.00 0.00 52.55 55.98 1i41 s ASP 430 Cb -0.13 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.82 1i41 s ASP 430 CO 0.68 -0.72 1.26 0.15 -0.17 0.00 0.00 175.17 176.37 1i41 h PHE 431 N 5.53 -0.81 -0.92 -5.34 3.57 -1.99 -1.20 116.94 115.78 1i41 h PHE 431 Ca -0.45 0.04 0.26 0.00 3.53 0.00 0.00 57.97 61.35 1i41 h PHE 431 Cb 1.21 0.38 -0.15 0.00 2.79 0.00 0.00 35.95 40.18 1i41 h PHE 431 CO 0.62 -0.24 0.30 -0.44 -2.23 0.00 0.00 178.31 176.32 1i41 h ASP 432 N -0.20 0.09 -0.49 0.41 3.32 -1.98 0.35 116.42 117.91 1i41 h ASP 432 Ca 0.03 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1i41 h ASP 432 Cb 0.29 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1i41 h ASP 432 CO -0.28 -0.18 0.31 0.44 -1.72 0.00 0.00 179.24 177.82 1i41 h ASP 433 N 0.21 0.57 0.46 6.45 3.32 -1.65 -0.12 116.42 125.66 1i41 h ASP 433 Ca 0.60 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.60 1i41 h ASP 433 Cb 1.28 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1i41 h ASP 433 CO -0.67 0.42 -0.22 -0.07 -1.72 0.00 0.00 179.24 176.99 1i41 h LEU 434 N 0.66 -0.52 -0.34 1.55 3.38 0.55 -2.57 115.31 118.00 1i41 h LEU 434 Ca 0.18 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1i41 h LEU 434 Cb -0.05 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1i41 h LEU 434 CO -0.04 -0.18 -0.54 0.50 0.09 0.00 0.00 178.44 178.27 1i41 h LYS 435 N -0.90 -0.41 -0.93 1.13 3.64 -0.49 0.23 116.57 118.84 1i41 h LYS 435 Ca -0.06 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.60 1i41 h LYS 435 Cb 0.58 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.36 1i41 h LYS 435 CO 0.10 -0.28 0.41 0.00 -2.27 0.00 0.00 179.45 177.42 1i41 h ALA 436 N -0.13 1.55 0.68 5.00 0.00 -1.07 0.34 119.26 125.63 1i41 h ALA 436 Ca 0.06 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 436 Cb 0.60 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1i41 h ALA 436 CO -0.55 -0.42 -0.33 0.22 0.00 0.00 0.00 179.25 178.17 1i41 h ASP 437 N 0.35 -0.77 -0.61 0.00 3.58 -0.26 0.23 116.42 118.93 1i41 h ASP 437 Ca 0.61 0.03 0.13 0.00 0.42 0.00 0.00 57.03 58.21 1i41 h ASP 437 Cb 1.23 0.20 -0.11 0.00 1.72 0.00 0.00 39.33 42.37 1i41 h ASP 437 CO -0.58 -0.51 -0.04 0.40 -2.88 0.00 0.00 179.24 175.64 1i41 h ILE 438 N -1.00 0.46 0.66 2.25 2.04 0.50 0.52 117.51 122.95 1i41 h ILE 438 Ca -0.09 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1i41 h ILE 438 Cb 0.70 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1i41 h ILE 438 CO 0.15 0.02 -0.32 -0.07 0.00 0.00 0.00 178.15 177.93 1i41 h LEU 439 N 0.09 -0.75 -1.85 1.44 3.38 -0.37 0.38 115.31 117.62 1i41 h LEU 439 Ca 0.32 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.65 1i41 h LEU 439 Cb 0.51 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 1i41 h LEU 439 CO -0.55 -0.53 0.82 -0.61 0.09 0.00 0.00 178.44 177.66 1i41 h GLN 440 N -0.90 0.08 0.78 1.13 -0.00 -0.67 0.42 115.11 115.95 1i41 h GLN 440 Ca -0.09 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.52 1i41 h GLN 440 Cb 0.68 -0.02 0.01 0.00 0.00 0.00 0.00 27.48 28.15 1i41 h GLN 440 CO 0.15 0.05 -0.38 0.00 0.00 0.00 0.00 178.83 178.66 1i41 h ALA 441 N 1.45 -1.05 0.00 3.38 0.00 0.10 -2.87 119.26 120.27 1i41 h ALA 441 Ca 0.58 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1i41 h ALA 441 Cb 2.14 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 1i41 h ALA 441 CO -0.08 -1.01 -0.03 1.28 0.00 0.00 0.00 179.25 179.41 1i41 n LEU 442 N -5.49 3.34 0.00 0.00 4.77 0.14 -2.42 117.00 117.34 1i41 n LEU 442 Ca -0.14 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 1i41 n LEU 442 Cb 0.42 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1i41 n LEU 442 CO 0.35 0.75 -0.13 -0.67 -1.33 0.00 0.00 177.39 176.36 1i41 n ASP 443 N 2.15 0.93 0.32 -1.43 2.03 -1.09 -4.75 116.55 114.70 1i41 n ASP 443 Ca 0.13 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.63 1i41 n ASP 443 Cb 0.44 0.00 1.02 0.00 -0.72 0.00 0.00 41.12 41.86 1i41 n ASP 443 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1i41 h SER 444 N 0.00 0.00 -0.03 1.67 4.64 -1.48 -3.52 113.55 114.83 1i41 h SER 444 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i41 h SER 444 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1i41 h SER 444 CO 0.00 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.58