#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 2.34 -0.07 2.98 0.00 -1.26 -5.05 121.76 120.70 1i41 s ALA 51 Ca 0.00 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 50.02 1i41 s ALA 51 Cb 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 23.12 22.71 1i41 s ALA 51 CO 0.00 0.23 1.00 0.66 0.00 0.00 0.00 175.76 177.65 1i41 h SER 52 N 2.73 -0.04 0.00 0.00 4.64 -2.07 -3.23 113.55 115.58 1i41 h SER 52 Ca -0.41 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.30 1i41 h SER 52 Cb 1.23 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1i41 h SER 52 CO 0.57 0.62 0.00 2.22 -0.87 0.00 0.00 176.83 179.37 1i41 n PHE 53 N -4.79 0.00 -4.04 4.77 1.16 -1.26 -4.40 117.46 108.90 1i41 n PHE 53 Ca -0.09 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.18 1i41 n PHE 53 Cb 0.32 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.04 1i41 n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i41 s LEU 54 N -1.55 3.46 -0.03 5.98 1.43 -1.22 -4.97 118.68 121.78 1i41 s LEU 54 Ca 0.11 -1.45 0.04 0.00 -1.03 0.00 0.00 54.13 51.79 1i41 s LEU 54 Cb 0.05 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 1i41 s LEU 54 CO 0.08 -0.22 0.03 0.59 0.23 0.00 0.00 176.35 177.07 1i41 n ASN 55 N 4.45 3.97 -4.77 2.29 3.02 -1.26 -4.66 115.26 118.29 1i41 n ASN 55 Ca -0.12 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.04 1i41 n ASN 55 Cb 0.42 0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 40.26 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 -3.31 7.41 0.16 6.41 0.15 -1.26 -4.97 113.70 118.30 1i41 s SER 56 Ca -0.02 1.69 -0.21 0.00 0.70 0.00 0.00 55.95 58.11 1i41 s SER 56 Cb 0.02 -2.52 0.07 0.00 -1.71 0.00 0.00 66.02 61.88 1i41 s SER 56 CO 0.18 0.18 1.62 0.44 1.20 0.00 0.00 173.24 176.86 1i41 h ASP 57 N 4.20 -0.81 -0.45 5.45 3.32 -2.00 -2.48 116.42 123.66 1i41 h ASP 57 Ca -0.47 0.16 0.09 0.00 0.02 0.00 0.00 57.03 56.83 1i41 h ASP 57 Cb 1.20 0.40 -0.10 0.00 0.22 0.00 0.00 39.33 41.06 1i41 h ASP 57 CO 0.66 -0.27 -0.25 1.23 -1.72 0.00 0.00 179.24 178.90 1i41 h GLY 58 N -0.20 0.02 0.51 2.75 0.00 -1.99 0.70 103.07 104.86 1i41 h GLY 58 Ca 0.17 0.31 0.12 0.00 0.00 0.00 0.00 47.33 47.94 1i41 h GLY 58 CO -0.47 -0.21 0.61 1.76 0.00 0.00 0.00 176.54 178.23 1i41 h SER 59 N -0.15 0.85 0.48 0.19 0.02 -1.86 -2.28 113.55 110.79 1i41 h SER 59 Ca 0.21 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1i41 h SER 59 Cb 0.48 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1i41 h SER 59 CO -0.54 0.45 -0.23 0.58 -1.14 0.00 0.00 176.83 175.95 1i41 h VAL 60 N 0.91 0.00 -0.88 2.27 2.07 -0.58 -2.12 116.25 117.92 1i41 h VAL 60 Ca 0.48 -0.13 0.34 0.00 0.82 0.00 0.00 66.70 68.21 1i41 h VAL 60 Cb 0.54 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.18 1i41 h VAL 60 CO -0.24 0.00 0.51 0.00 0.02 0.00 0.00 177.57 177.86 1i41 n ALA 61 N -2.42 0.89 0.01 1.67 0.00 -0.04 0.24 120.51 120.86 1i41 n ALA 61 Ca -0.08 0.75 -0.00 0.00 0.00 0.00 0.00 53.44 54.11 1i41 n ALA 61 Cb 0.25 -0.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.03 0.00 2.04 -1.29 -3.38 117.51 114.85 1i41 h ILE 62 Ca 0.67 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.50 1i41 h ILE 62 Cb 1.91 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1i41 h ILE 62 CO -0.52 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.04 1i41 n HIS 63 N -2.16 0.04 -1.67 1.37 8.25 -0.24 -4.89 115.22 115.91 1i41 n HIS 63 Ca -0.00 -0.02 -0.45 0.00 -0.26 0.00 0.00 57.72 56.99 1i41 n HIS 63 Cb 0.01 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 1i41 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i41 n ALA 64 N -0.37 1.35 -3.16 -1.41 0.00 0.67 -1.78 120.51 115.81 1i41 n ALA 64 Ca 0.19 0.28 -0.20 0.00 0.00 0.00 0.00 53.44 53.70 1i41 n ALA 64 Cb 0.22 -2.56 0.05 0.00 0.00 0.00 0.00 19.45 17.15 1i41 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i41 n GLY 65 N 4.35 -0.38 2.07 0.00 0.00 -1.26 -4.27 105.19 105.70 1i41 n GLY 65 Ca 0.21 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1i41 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i41 n GLU 66 N -4.01 0.00 -0.34 1.61 1.02 -0.74 -4.78 120.64 113.39 1i41 n GLU 66 Ca -0.06 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.29 1i41 n GLU 66 Cb 0.59 0.00 0.43 0.00 -0.02 0.00 0.00 31.44 32.44 1i41 n GLU 66 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1i41 h ARG 67 N 0.00 0.46 0.00 3.49 9.65 -1.77 -1.59 114.38 124.61 1i41 h ARG 67 Ca 0.00 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 1i41 h ARG 67 Cb 0.00 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 1i41 h ARG 67 CO 0.00 0.30 -0.95 -0.07 2.80 0.00 0.00 179.97 182.05 1i41 h LEU 68 N 0.47 0.00 0.00 3.80 3.38 -1.92 -3.49 115.31 117.55 1i41 h LEU 68 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1i41 h LEU 68 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1i41 h LEU 68 CO -0.50 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1i41 n GLY 69 N 1.31 2.11 0.00 0.83 0.00 -0.60 -5.08 105.19 103.76 1i41 n GLY 69 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.68 2.57 0.00 1.61 1.74 -1.26 -3.85 116.66 116.79 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 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 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 1.51 1.38 2.46 -0.13 0.00 -1.26 -4.90 105.19 104.24 1i41 n GLY 71 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1i41 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i41 n ILE 72 N -2.00 0.67 -1.36 -0.61 3.06 -1.26 -5.10 119.36 112.76 1i41 n ILE 72 Ca 0.00 -4.47 -0.53 0.00 -2.50 0.00 0.00 62.75 55.25 1i41 n ILE 72 Cb 0.00 -1.99 -0.08 0.00 0.54 0.00 0.00 39.64 38.11 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 1.63 0.00 -3.57 9.51 0.31 -1.26 -4.98 118.33 119.97 1i41 n VAL 73 Ca 0.25 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.42 1i41 n VAL 73 Cb 0.44 -0.21 -0.06 0.00 -0.91 0.00 0.00 33.84 33.10 1i41 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i41 s THR 74 N 1.28 0.00 -0.35 2.52 -4.23 -1.26 -5.01 115.64 108.60 1i41 s THR 74 Ca 0.82 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.36 1i41 s THR 74 Cb -1.16 -1.00 0.52 0.00 1.34 0.00 0.00 72.50 72.20 1i41 s THR 74 CO 0.58 0.00 1.71 -0.90 -0.54 0.00 0.00 174.62 175.48 1i41 n ASP 75 N 1.65 3.61 -4.89 3.99 5.75 -1.26 -4.89 116.55 120.51 1i41 n ASP 75 Ca -0.17 -3.24 -0.31 0.00 -0.01 0.00 0.00 54.79 51.05 1i41 n ASP 75 Cb 0.56 -0.76 -0.05 0.00 -1.03 0.00 0.00 41.12 39.84 1i41 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i41 s ALA 76 N -2.57 3.91 -0.03 2.12 0.00 -1.26 -5.04 121.76 118.89 1i41 s ALA 76 Ca 0.44 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 51.33 1i41 s ALA 76 Cb 0.37 -1.76 -0.14 0.00 0.00 0.00 0.00 23.12 21.59 1i41 s ALA 76 CO 0.09 0.80 0.93 0.82 0.00 0.00 0.00 175.76 178.40 1i41 h ILE 77 N 2.32 0.61 -4.43 0.00 2.04 -2.04 -3.46 117.51 112.55 1i41 h ILE 77 Ca -0.46 -0.86 -0.47 0.00 1.00 0.00 0.00 64.86 64.07 1i41 h ILE 77 Cb 1.17 0.99 0.11 0.00 -0.74 0.00 0.00 36.82 38.34 1i41 h ILE 77 CO 0.73 0.14 0.37 0.42 0.00 0.00 0.00 178.15 179.81 1i41 s THR 78 N -3.78 2.47 0.02 -0.27 -4.23 -1.26 -5.00 115.64 103.59 1i41 s THR 78 Ca -0.12 0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 60.26 1i41 s THR 78 Cb 0.01 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1i41 s THR 78 CO 0.45 -0.20 0.92 -0.89 -0.54 0.00 0.00 174.62 174.35 1i41 s THR 79 N -3.38 4.80 0.06 3.99 2.01 -1.26 -5.02 115.64 116.84 1i41 s THR 79 Ca 0.62 1.93 -0.30 0.00 0.31 0.00 0.00 61.69 64.25 1i41 s THR 79 Cb -0.13 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 1i41 s THR 79 CO 0.52 0.23 1.06 -2.16 -0.69 0.00 0.00 174.62 173.57 1i41 s PRO 80 N 0.67 4.54 -0.51 4.92 0.05 -1.26 -4.99 135.00 138.42 1i41 s PRO 80 Ca 0.48 1.57 -0.29 0.00 0.05 0.00 0.00 61.00 62.81 1i41 s PRO 80 Cb -0.21 -3.39 0.03 0.00 0.05 0.00 0.00 34.50 30.98 1i41 s PRO 80 CO 0.26 -0.06 1.20 0.08 0.05 0.00 0.00 177.00 178.54 1i41 s VAL 81 N 0.71 4.08 -0.45 -0.36 1.01 -1.26 -4.45 120.40 119.69 1i41 s VAL 81 Ca 0.53 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 63.36 1i41 s VAL 81 Cb -0.25 -4.60 0.03 0.00 0.00 0.00 0.00 36.38 31.56 1i41 s VAL 81 CO 0.30 -1.11 0.65 -0.69 0.00 0.00 0.00 175.10 174.25 1i41 s VAL 82 N 4.82 4.82 -1.11 2.92 1.01 -1.26 -4.99 120.40 126.62 1i41 s VAL 82 Ca 0.48 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1i41 s VAL 82 Cb -0.08 -4.22 0.29 0.00 0.00 0.00 0.00 36.38 32.37 1i41 s VAL 82 CO 0.30 -0.62 1.49 0.59 0.00 0.00 0.00 175.10 176.85 1i41 n ASN 83 N 6.28 6.16 -4.28 3.32 3.02 -1.26 -4.76 115.26 123.75 1i41 n ASN 83 Ca -0.02 -3.33 -0.24 0.00 -0.03 0.00 0.00 54.58 50.96 1i41 n ASN 83 Cb 0.48 -1.31 -0.13 0.00 -0.61 0.00 0.00 39.78 38.21 1i41 n ASN 83 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i41 s THR 84 N -2.19 1.70 -1.63 3.41 -1.32 -1.26 -5.02 115.64 109.33 1i41 s THR 84 Ca 0.32 -1.48 0.19 0.00 -1.21 0.00 0.00 61.69 59.51 1i41 s THR 84 Cb 0.04 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.47 1i41 s THR 84 CO 0.07 -0.02 0.94 -1.54 -2.21 0.00 0.00 174.62 171.86 1i41 n SER 85 N 1.21 1.71 -3.57 8.08 3.41 -1.26 -4.74 113.62 118.46 1i41 n SER 85 Ca -0.19 -1.35 -0.09 0.00 -0.26 0.00 0.00 58.87 56.98 1i41 n SER 85 Cb 0.53 0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 64.99 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 -2.21 -1.58 -0.02 7.33 0.00 -1.26 -2.78 121.76 121.24 1i41 s ALA 86 Ca 0.15 0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.56 1i41 s ALA 86 Cb 0.15 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 1i41 s ALA 86 CO 0.50 -0.84 -0.20 0.71 0.00 0.00 0.00 175.76 175.93 1i41 s TYR 87 N -3.58 1.85 0.51 0.00 1.51 0.14 -4.91 117.35 112.87 1i41 s TYR 87 Ca 0.05 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.81 1i41 s TYR 87 Cb -0.02 -1.20 0.05 0.00 -0.11 0.00 0.00 41.96 40.68 1i41 s TYR 87 CO -0.06 -0.07 0.70 -0.59 -1.11 0.00 0.00 175.55 174.43 1i41 s PHE 88 N -0.38 2.02 0.06 2.71 -0.12 -1.26 -4.72 117.98 116.30 1i41 s PHE 88 Ca 0.05 -0.56 0.04 0.00 -0.05 0.00 0.00 56.93 56.41 1i41 s PHE 88 Cb -0.09 -2.31 -0.03 0.00 -0.63 0.00 0.00 43.02 39.96 1i41 s PHE 88 CO -0.00 -0.86 -0.12 -0.06 -0.05 0.00 0.00 175.22 174.13 1i41 s PHE 89 N -2.55 1.06 0.16 3.49 0.40 -1.26 -5.05 117.98 114.23 1i41 s PHE 89 Ca 0.59 -0.47 0.12 0.00 -0.60 0.00 0.00 56.93 56.57 1i41 s PHE 89 Cb -0.08 -0.61 0.25 0.00 0.51 0.00 0.00 43.02 43.10 1i41 s PHE 89 CO 0.37 0.02 1.54 -0.91 0.70 0.00 0.00 175.22 176.93 1i41 h ASN 90 N 4.35 0.00 -4.56 1.36 2.35 -2.00 -3.47 115.58 113.61 1i41 h ASN 90 Ca -0.39 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.37 1i41 h ASN 90 Cb 1.19 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.36 1i41 h ASN 90 CO 0.40 0.65 0.38 -1.59 -1.65 0.00 0.00 177.43 175.61 1i41 s LYS 91 N -3.30 0.83 0.30 0.81 -2.85 -1.26 -5.03 119.74 109.24 1i41 s LYS 91 Ca 0.00 0.16 0.05 0.00 -1.00 0.00 0.00 55.97 55.19 1i41 s LYS 91 Cb 0.11 0.39 0.82 0.00 -2.06 0.00 0.00 37.83 37.09 1i41 s LYS 91 CO 0.76 -0.27 1.64 1.15 0.10 0.00 0.00 175.35 178.73 1i41 h THR 92 N 2.72 0.27 -0.65 3.79 2.02 -2.00 -0.68 112.91 118.38 1i41 h THR 92 Ca -0.23 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 66.97 1i41 h THR 92 Cb 1.16 0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 1i41 h THR 92 CO 0.35 0.04 -0.49 -1.28 0.37 0.00 0.00 175.52 174.50 1i41 h SER 93 N 0.20 -1.71 -0.03 4.18 0.87 -2.00 -0.54 113.55 114.53 1i41 h SER 93 Ca 0.61 0.27 0.01 0.00 -1.23 0.00 0.00 61.79 61.45 1i41 h SER 93 Cb 1.29 0.76 -0.01 0.00 -0.44 0.00 0.00 62.40 64.00 1i41 h SER 93 CO -0.67 -0.33 -0.04 -0.33 -0.53 0.00 0.00 176.83 174.93 1i41 h GLU 94 N -0.21 -0.05 -0.78 2.24 5.08 -1.54 -1.98 114.58 117.34 1i41 h GLU 94 Ca 0.16 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.71 1i41 h GLU 94 Cb 0.55 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.67 1i41 h GLU 94 CO -0.74 -0.04 0.03 1.25 -1.00 0.00 0.00 179.01 178.52 1i41 h LEU 95 N -0.06 -0.31 0.44 1.33 5.85 -1.00 0.26 115.31 121.82 1i41 h LEU 95 Ca 0.03 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1i41 h LEU 95 Cb 0.09 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1i41 h LEU 95 CO -0.06 -0.18 -0.38 0.40 -0.34 0.00 0.00 178.44 177.88 1i41 h ILE 96 N 0.12 0.23 -0.92 4.05 2.04 -0.67 -0.44 117.51 121.91 1i41 h ILE 96 Ca 0.43 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.39 1i41 h ILE 96 Cb 0.78 0.23 -0.12 0.00 -0.74 0.00 0.00 36.82 36.96 1i41 h ILE 96 CO -0.67 0.00 -0.54 0.44 0.00 0.00 0.00 178.15 177.38 1i41 h ASP 97 N -0.82 -1.96 -0.11 1.72 3.32 0.13 0.42 116.42 119.13 1i41 h ASP 97 Ca -0.04 0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.36 1i41 h ASP 97 Cb 0.72 0.88 -0.06 0.00 0.22 0.00 0.00 39.33 41.09 1i41 h ASP 97 CO -0.03 -0.26 -0.40 0.15 -1.72 0.00 0.00 179.24 176.97 1i41 h PHE 98 N -0.05 -1.15 -0.75 4.55 3.57 -0.62 0.69 116.94 123.17 1i41 h PHE 98 Ca 0.19 0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.92 1i41 h PHE 98 Cb 0.47 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1i41 h PHE 98 CO -0.95 -0.47 0.52 0.87 -2.23 0.00 0.00 178.31 176.05 1i41 h LYS 99 N -0.49 0.19 -0.60 1.11 1.79 0.90 0.38 116.57 119.84 1i41 h LYS 99 Ca 0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1i41 h LYS 99 Cb 0.62 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1i41 h LYS 99 CO -0.38 0.13 0.00 0.39 -1.08 0.00 0.00 179.45 178.51 1i41 n GLU 100 N -4.41 2.76 -3.54 3.15 1.02 0.12 -4.93 120.64 114.82 1i41 n GLU 100 Ca 0.15 -1.81 -0.22 0.00 -0.02 0.00 0.00 57.16 55.26 1i41 n GLU 100 Cb 0.69 -1.68 0.08 0.00 -0.02 0.00 0.00 31.44 30.51 1i41 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i41 n LYS 101 N 0.61 -7.54 -0.00 3.49 4.01 0.13 -4.90 118.16 113.96 1i41 n LYS 101 Ca 0.16 0.81 0.02 0.00 -0.51 0.00 0.00 58.31 58.79 1i41 n LYS 101 Cb 0.62 -5.79 -0.02 0.00 -0.51 0.00 0.00 35.03 29.32 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 -4.74 5.62 -4.19 1.97 1.74 -0.43 -5.01 116.66 111.63 1i41 n ARG 102 Ca -0.05 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.92 1i41 n ARG 102 Cb 0.58 -0.68 -0.10 0.00 -1.02 0.00 0.00 32.46 31.23 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 -1.37 0.95 -0.14 5.56 3.52 -1.24 -4.87 118.95 121.36 1i41 s ARG 103 Ca 0.01 -1.43 -0.01 0.00 -0.13 0.00 0.00 55.73 54.17 1i41 s ARG 103 Cb 0.03 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.29 1i41 s ARG 103 CO 0.15 -0.12 -0.10 0.00 -0.81 0.00 0.00 175.30 174.41 1i41 s ALA 104 N -3.75 2.75 -0.19 6.12 0.00 -1.26 -4.52 121.76 120.91 1i41 s ALA 104 Ca 0.19 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 1i41 s ALA 104 Cb 0.06 -1.33 0.10 0.00 0.00 0.00 0.00 23.12 21.95 1i41 s ALA 104 CO -0.00 0.23 0.85 0.45 0.00 0.00 0.00 175.76 177.29 1i41 s SER 105 N 0.36 -0.57 0.34 0.00 0.15 -1.26 -5.02 113.70 107.71 1i41 s SER 105 Ca -0.09 0.87 0.18 0.00 0.70 0.00 0.00 55.95 57.62 1i41 s SER 105 Cb -0.15 0.80 0.29 0.00 -1.71 0.00 0.00 66.02 65.25 1i41 s SER 105 CO 0.05 -0.35 1.55 -0.26 1.20 0.00 0.00 173.24 175.43 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 -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1i41 h PHE 106 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1i41 h PHE 106 CO 0.35 0.35 0.00 -1.91 -0.60 0.00 0.00 178.31 176.50 1i41 n GLU 107 N -3.24 0.00 -4.30 1.51 2.13 -1.26 -4.55 120.64 110.93 1i41 n GLU 107 Ca 0.02 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.56 1i41 n GLU 107 Cb 0.63 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.25 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 2.59 0.43 4.31 5.04 -1.26 -0.68 117.35 127.78 1i41 s TYR 108 Ca 0.00 -0.24 0.22 0.00 -2.44 0.00 0.00 57.07 54.61 1i41 s TYR 108 Cb 0.00 -1.30 1.25 0.00 0.35 0.00 0.00 41.96 42.26 1i41 s TYR 108 CO 0.00 0.48 2.03 0.78 -1.34 0.00 0.00 175.55 177.50 1i41 h GLY 109 N 3.15 0.00 2.00 8.97 0.00 -1.73 -2.16 103.07 113.30 1i41 h GLY 109 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1i41 h GLY 109 CO 0.52 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.93 1i41 n ARG 110 N -3.91 0.08 -0.01 4.80 0.63 -1.26 -2.90 116.66 114.09 1i41 n ARG 110 Ca -0.02 0.25 0.10 0.00 -0.92 0.00 0.00 57.85 57.26 1i41 n ARG 110 Cb 0.25 -1.63 -0.14 0.00 0.45 0.00 0.00 32.46 31.39 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 -1.77 0.00 0.00 -0.14 4.01 -0.82 -4.73 117.16 113.71 1i41 n TYR 111 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1i41 n TYR 111 Cb 0.24 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.41 1.61 3.53 2.72 0.00 -1.14 -5.02 105.19 108.30 1i41 n GLY 112 Ca -0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.71 0.35 1.61 3.84 -1.26 -4.45 114.94 114.31 1i41 s ASN 113 Ca 0.00 1.29 0.06 0.00 0.21 0.00 0.00 52.86 54.42 1i41 s ASN 113 Cb 0.00 1.26 0.73 0.00 -0.55 0.00 0.00 41.25 42.69 1i41 s ASN 113 CO 0.00 -0.22 1.91 1.55 -2.79 0.00 0.00 177.10 177.55 1i41 h PRO 114 N 5.78 0.76 0.00 0.43 0.13 -1.96 -0.61 132.00 136.54 1i41 h PRO 114 Ca -0.30 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1i41 h PRO 114 Cb 1.18 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1i41 h PRO 114 CO 0.14 0.50 0.00 -2.37 -0.23 0.00 0.00 178.00 176.04 1i41 n THR 115 N -4.52 0.15 -0.13 1.56 5.66 -1.26 -3.79 114.28 111.95 1i41 n THR 115 Ca 0.14 0.01 -0.28 0.00 -3.05 0.00 0.00 64.05 60.87 1i41 n THR 115 Cb 0.33 -0.56 -0.10 0.00 -1.55 0.00 0.00 70.33 68.44 1i41 n THR 115 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i41 n THR 116 N -1.55 1.53 -0.37 1.09 -1.04 -0.37 -4.42 114.28 109.15 1i41 n THR 116 Ca 0.07 -0.36 0.27 0.00 -2.04 0.00 0.00 64.05 61.99 1i41 n THR 116 Cb 0.33 -1.87 0.54 0.00 -1.82 0.00 0.00 70.33 67.51 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 -0.92 0.31 0.10 12.58 -1.51 -1.29 0.21 116.25 125.72 1i41 h VAL 117 Ca -0.65 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 1i41 h VAL 117 Cb 1.60 0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.75 1i41 h VAL 117 CO -0.37 0.05 -0.26 0.58 -1.23 0.00 0.00 177.57 176.34 1i41 h VAL 118 N 0.28 0.00 -1.02 7.19 2.07 -1.77 0.31 116.25 123.31 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 1.90 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.58 1i41 h VAL 118 CO -0.46 0.00 0.66 0.25 0.02 0.00 0.00 177.57 178.04 1i41 h LEU 119 N -0.40 0.44 0.78 2.57 5.85 -0.89 0.18 115.31 123.84 1i41 h LEU 119 Ca -0.01 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1i41 h LEU 119 Cb 0.39 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1i41 h LEU 119 CO -0.12 0.11 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.35 1i41 h GLU 120 N 0.40 -1.05 -0.82 1.25 5.08 0.72 -1.85 114.58 118.31 1i41 h GLU 120 Ca 0.57 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 59.10 1i41 h GLU 120 Cb 1.44 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 30.85 1i41 h GLU 120 CO -0.26 -0.70 0.47 0.93 -1.00 0.00 0.00 179.01 178.44 1i41 h GLU 121 N -1.09 0.76 0.03 2.33 5.08 0.81 -0.78 114.58 121.71 1i41 h GLU 121 Ca -0.11 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1i41 h GLU 121 Cb 0.85 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1i41 h GLU 121 CO 0.16 0.50 -0.29 -0.22 -1.00 0.00 0.00 179.01 178.16 1i41 h LYS 122 N 0.78 -0.37 -0.83 2.33 3.64 -0.52 0.28 116.57 121.88 1i41 h LYS 122 Ca 0.40 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.94 1i41 h LYS 122 Cb 0.38 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 1i41 h LYS 122 CO -0.25 -0.25 0.54 0.82 -2.27 0.00 0.00 179.45 178.04 1i41 h ILE 123 N -0.38 0.85 -0.03 2.00 2.04 -0.99 0.54 117.51 121.55 1i41 h ILE 123 Ca 0.00 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1i41 h ILE 123 Cb 0.40 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1i41 h ILE 123 CO -0.18 0.12 -0.14 0.28 0.00 0.00 0.00 178.15 178.23 1i41 h SER 124 N 0.64 -0.42 -0.38 1.72 0.02 0.24 -1.33 113.55 114.04 1i41 h SER 124 Ca 0.41 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.50 1i41 h SER 124 Cb 0.68 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.33 1i41 h SER 124 CO -0.17 -0.19 -0.10 0.00 -1.14 0.00 0.00 176.83 175.22 1i41 h ALA 125 N 0.75 0.23 0.30 3.77 0.00 0.17 0.36 119.26 124.86 1i41 h ALA 125 Ca 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1i41 h ALA 125 Cb 0.30 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1i41 h ALA 125 CO -0.16 -0.47 -0.26 -0.07 0.00 0.00 0.00 179.25 178.29 1i41 h LEU 126 N -0.01 -0.70 0.00 0.00 3.38 -0.87 -1.61 115.31 115.50 1i41 h LEU 126 Ca 0.18 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1i41 h LEU 126 Cb 0.29 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1i41 h LEU 126 CO -0.40 -0.36 0.00 -0.62 0.09 0.00 0.00 178.44 177.16 1i41 n GLU 127 N -3.93 0.08 -3.43 1.13 -0.58 -0.55 -4.81 120.64 108.56 1i41 n GLU 127 Ca -0.07 0.26 -0.21 0.00 -0.42 0.00 0.00 57.16 56.72 1i41 n GLU 127 Cb 0.24 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.68 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 -0.69 -0.36 4.00 0.62 0.00 0.78 -4.72 105.19 104.82 1i41 n GLY 128 Ca 0.03 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.27 4.05 -0.04 4.61 0.00 0.91 -4.98 121.76 123.04 1i41 s ALA 129 Ca 0.50 -1.68 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1i41 s ALA 129 Cb -0.22 -1.88 -0.27 0.00 0.00 0.00 0.00 23.12 20.75 1i41 s ALA 129 CO 0.62 -1.00 0.68 1.49 0.00 0.00 0.00 175.76 177.55 1i41 h GLU 130 N -0.08 0.23 -1.78 0.00 4.81 -1.81 -3.43 114.58 112.51 1i41 h GLU 130 Ca -0.37 -0.39 0.01 0.00 -0.13 0.00 0.00 59.36 58.48 1i41 h GLU 130 Cb 1.28 0.14 -0.22 0.00 0.63 0.00 0.00 28.75 30.59 1i41 h GLU 130 CO 0.44 1.06 0.35 0.45 -0.73 0.00 0.00 179.01 180.58 1i41 s SER 131 N -6.88 -0.54 0.15 1.04 0.15 -0.88 -4.82 113.70 101.92 1i41 s SER 131 Ca -0.12 0.76 0.08 0.00 0.70 0.00 0.00 55.95 57.37 1i41 s SER 131 Cb 0.07 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 65.01 1i41 s SER 131 CO 0.83 -0.38 -0.18 -0.89 1.20 0.00 0.00 173.24 173.82 1i41 s THR 132 N -0.64 1.73 0.11 6.45 2.01 -1.26 -2.02 115.64 122.02 1i41 s THR 132 Ca -0.04 -1.84 0.10 0.00 0.31 0.00 0.00 61.69 60.23 1i41 s THR 132 Cb -0.02 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1i41 s THR 132 CO 0.03 -0.30 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.20 1i41 s LEU 133 N -2.53 2.30 -0.15 4.42 2.96 0.19 -4.90 118.68 120.97 1i41 s LEU 133 Ca 0.13 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 1i41 s LEU 133 Cb -0.06 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.57 1i41 s LEU 133 CO 0.06 0.13 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.36 1i41 s LEU 134 N -1.94 1.63 0.00 -0.68 1.43 -1.26 -1.21 118.68 116.65 1i41 s LEU 134 Ca 0.11 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1i41 s LEU 134 Cb -0.10 -1.04 0.06 0.00 0.03 0.00 0.00 46.19 45.14 1i41 s LEU 134 CO 0.05 -0.11 0.49 0.23 0.23 0.00 0.00 176.35 177.23 1i41 n MET 135 N 4.83 0.57 0.15 1.70 2.81 -0.60 -4.29 117.12 122.29 1i41 n MET 135 Ca -0.14 -1.65 0.12 0.00 -1.81 0.00 0.00 57.70 54.22 1i41 n MET 135 Cb 0.49 -0.22 0.22 0.00 -0.71 0.00 0.00 33.22 33.00 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 -0.02 0.89 -1.84 3.04 0.00 -1.30 -2.85 119.26 117.18 1i41 h ALA 136 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1i41 h ALA 136 Cb 0.69 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.28 1i41 h ALA 136 CO 0.21 0.00 0.57 -1.54 0.00 0.00 0.00 179.25 178.48 1i41 s SER 137 N -5.36 -0.33 0.09 0.00 1.04 -1.26 -3.44 113.70 104.44 1i41 s SER 137 Ca 0.07 0.18 -0.23 0.00 0.48 0.00 0.00 55.95 56.45 1i41 s SER 137 Cb 0.09 0.31 -0.08 0.00 0.10 0.00 0.00 66.02 66.44 1i41 s SER 137 CO 0.67 -0.44 1.39 1.23 0.98 0.00 0.00 173.24 177.07 1i41 h GLY 138 N 2.25 -1.30 -0.85 7.32 0.00 -1.84 0.13 103.07 108.78 1i41 h GLY 138 Ca -0.18 0.77 0.39 0.00 0.00 0.00 0.00 47.33 48.31 1i41 h GLY 138 CO 0.30 -0.30 0.60 -0.33 0.00 0.00 0.00 176.54 176.81 1i41 h MET 139 N -0.25 0.12 0.29 4.80 2.86 -1.95 0.74 114.93 121.54 1i41 h MET 139 Ca 0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1i41 h MET 139 Cb 0.41 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1i41 h MET 139 CO -0.45 0.08 -0.24 0.00 1.06 0.00 0.00 176.91 177.36 1i41 h ALA 141 N 0.10 -0.45 -0.75 0.00 0.00 0.97 0.96 119.26 120.10 1i41 h ALA 141 Ca -0.02 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1i41 h ALA 141 Cb 0.49 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 1i41 h ALA 141 CO -0.03 -0.45 -0.41 0.77 0.00 0.00 0.00 179.25 179.13 1i41 h SER 142 N -0.02 -1.45 -0.16 0.00 0.02 -1.49 0.66 113.55 111.11 1i41 h SER 142 Ca 0.00 0.27 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1i41 h SER 142 Cb 0.02 0.70 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1i41 h SER 142 CO -0.01 -0.30 -0.20 0.74 -1.14 0.00 0.00 176.83 175.91 1i41 h THR 143 N -0.12 0.00 0.05 -2.27 2.02 -0.85 -0.10 112.91 111.63 1i41 h THR 143 Ca 0.24 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.44 1i41 h THR 143 Cb 0.56 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1i41 h THR 143 CO -0.80 0.00 -0.43 0.58 0.37 0.00 0.00 175.52 175.23 1i41 h VAL 144 N -0.13 0.00 -0.97 3.16 2.07 -0.07 -1.26 116.25 119.04 1i41 h VAL 144 Ca 0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.80 1i41 h VAL 144 Cb 0.21 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.80 1i41 h VAL 144 CO -0.22 0.00 -0.02 -0.03 0.02 0.00 0.00 177.57 177.32 1i41 h MET 145 N -0.58 0.01 0.64 1.57 -1.53 -0.63 0.78 114.93 115.20 1i41 h MET 145 Ca 0.00 -0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 1i41 h MET 145 Cb 0.60 -0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.66 1i41 h MET 145 CO -0.27 0.01 -0.31 -0.07 0.14 0.00 0.00 176.91 176.41 1i41 h LEU 146 N 0.01 -0.73 -1.84 3.39 3.38 -0.55 -0.20 115.31 118.77 1i41 h LEU 146 Ca 0.57 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.65 1i41 h LEU 146 Cb 1.12 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1i41 h LEU 146 CO -0.92 -0.44 0.48 -0.07 0.09 0.00 0.00 178.44 177.58 1i41 h LEU 147 N -1.04 0.00 0.12 1.67 3.38 0.13 -1.09 115.31 118.49 1i41 h LEU 147 Ca -0.09 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.56 1i41 h LEU 147 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1i41 h LEU 147 CO 0.14 0.00 -1.70 0.00 0.09 0.00 0.00 178.44 176.98 1i41 h ALA 148 N 1.32 0.28 0.08 1.53 0.00 0.73 -3.42 119.26 119.78 1i41 h ALA 148 Ca 0.14 -1.23 -0.33 0.00 0.00 0.00 0.00 54.91 53.49 1i41 h ALA 148 Cb 1.09 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1i41 h ALA 148 CO -0.00 1.04 -1.79 1.28 0.00 0.00 0.00 179.25 179.78 1i41 n LEU 149 N -3.74 2.40 -4.62 0.00 4.77 -0.11 -4.86 117.00 110.83 1i41 n LEU 149 Ca -0.28 0.27 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 1i41 n LEU 149 Cb 0.97 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1i41 n LEU 149 CO 0.41 0.68 1.23 -0.69 -1.33 0.00 0.00 177.39 177.68 1i41 s VAL 150 N -2.50 3.96 1.02 4.08 1.01 -0.48 -5.01 120.40 122.49 1i41 s VAL 150 Ca -0.25 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1i41 s VAL 150 Cb 0.07 -4.03 0.20 0.00 0.00 0.00 0.00 36.38 32.62 1i41 s VAL 150 CO 0.71 -0.48 1.08 -2.84 0.00 0.00 0.00 175.10 173.57 1i41 s PRO 151 N 4.49 0.21 0.28 2.72 0.02 -1.26 -4.81 135.00 136.64 1i41 s PRO 151 Ca 0.62 0.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 1i41 s PRO 151 Cb -0.18 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 1i41 s PRO 151 CO 0.27 -2.93 1.42 0.00 -0.33 0.00 0.00 177.00 175.43 1i41 s ALA 152 N -2.80 3.60 0.00 -1.55 0.00 -1.26 -1.89 121.76 117.86 1i41 s ALA 152 Ca 0.66 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.96 1i41 s ALA 152 Cb -0.20 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1i41 s ALA 152 CO 0.59 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1i41 n GLY 153 N 1.71 0.53 3.77 0.00 0.00 0.58 -4.93 105.19 106.84 1i41 n GLY 153 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1i41 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 154 N -2.00 1.58 0.12 -0.02 0.00 -0.79 -4.66 107.32 101.54 1i41 s GLY 154 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 44.72 44.32 1i41 s GLY 154 CO 0.00 0.08 -0.14 -1.58 0.00 0.00 0.00 173.10 171.46 1i41 s HIS 155 N -3.21 2.63 0.06 1.90 5.65 -1.26 -1.73 115.29 119.32 1i41 s HIS 155 Ca 0.64 -0.21 0.01 0.00 0.25 0.00 0.00 55.06 55.74 1i41 s HIS 155 Cb -0.15 -1.38 -0.03 0.00 -1.18 0.00 0.00 32.58 29.83 1i41 s HIS 155 CO 0.54 0.41 -0.05 -1.50 -0.65 0.00 0.00 174.74 173.49 1i41 s ILE 156 N -1.21 0.44 -0.10 0.89 2.07 -0.26 -0.50 121.20 122.52 1i41 s ILE 156 Ca 0.20 -1.56 0.01 0.00 -1.41 0.00 0.00 60.65 57.89 1i41 s ILE 156 Cb -0.11 -1.18 0.02 0.00 0.13 0.00 0.00 42.46 41.32 1i41 s ILE 156 CO 0.12 -0.75 -0.11 -0.69 -1.91 0.00 0.00 174.94 171.61 1i41 s VAL 157 N -2.89 1.15 0.29 4.00 1.01 -0.83 -0.68 120.40 122.45 1i41 s VAL 157 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1i41 s VAL 157 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1i41 s VAL 157 CO -0.05 0.38 0.10 0.42 0.00 0.00 0.00 175.10 175.95 1i41 s THR 158 N 1.21 0.64 0.67 3.92 -4.23 -0.78 0.06 115.64 117.13 1i41 s THR 158 Ca -0.04 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1i41 s THR 158 Cb -0.14 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.16 1i41 s THR 158 CO -0.03 0.00 0.94 0.42 -0.54 0.00 0.00 174.62 175.41 1i41 s THR 159 N -3.61 2.34 -0.00 3.99 -4.23 -1.25 -1.51 115.64 111.37 1i41 s THR 159 Ca 0.36 -0.51 0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1i41 s THR 159 Cb 0.07 -2.83 -0.14 0.00 1.34 0.00 0.00 72.50 70.94 1i41 s THR 159 CO 0.15 0.00 1.16 0.71 -0.54 0.00 0.00 174.62 176.09 1i41 h THR 160 N -0.41 1.22 -0.92 3.99 1.35 -1.55 -3.35 112.91 113.24 1i41 h THR 160 Ca -0.41 -2.85 -0.46 0.00 -0.55 0.00 0.00 66.41 62.14 1i41 h THR 160 Cb 1.29 2.58 -0.16 0.00 -1.73 0.00 0.00 68.15 70.13 1i41 h THR 160 CO 0.49 0.70 0.33 0.47 -0.25 0.00 0.00 175.52 177.25 1i41 n ASP 161 N -3.21 6.34 -4.87 5.36 9.92 -1.26 -4.95 116.55 123.87 1i41 n ASP 161 Ca -0.04 -3.11 -0.31 0.00 -0.53 0.00 0.00 54.79 50.81 1i41 n ASP 161 Cb 0.90 -1.26 0.03 0.00 -0.64 0.00 0.00 41.12 40.15 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 -3.26 3.60 0.00 0.00 5.04 -1.26 -4.86 117.35 116.61 1i41 s TYR 163 Ca 0.57 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.82 1i41 s TYR 163 Cb -0.11 -3.12 0.00 0.00 0.35 0.00 0.00 41.96 39.08 1i41 s TYR 163 CO 0.53 -0.07 0.00 -2.13 -1.34 0.00 0.00 175.55 172.54 1i41 n ARG 164 N 4.26 0.00 -0.17 4.97 3.00 -1.26 -0.22 116.66 127.23 1i41 n ARG 164 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.90 1i41 n ARG 164 Cb 0.50 0.00 0.08 0.00 0.00 0.00 0.00 32.46 33.04 1i41 n ARG 164 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1i41 h LYS 165 N 0.00 0.20 -1.00 -0.14 6.56 -1.97 0.34 116.57 120.57 1i41 h LYS 165 Ca 0.00 -0.01 0.22 0.00 -1.06 0.00 0.00 60.65 59.80 1i41 h LYS 165 Cb 0.00 -0.05 -0.10 0.00 -0.57 0.00 0.00 32.23 31.52 1i41 h LYS 165 CO 0.00 0.13 0.63 1.15 -2.06 0.00 0.00 179.45 179.30 1i41 h THR 166 N 0.21 0.62 0.47 -0.16 2.02 -0.99 -1.52 112.91 113.57 1i41 h THR 166 Ca 0.27 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1i41 h THR 166 Cb 0.39 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1i41 h THR 166 CO -0.38 0.10 -0.23 -0.09 0.37 0.00 0.00 175.52 175.30 1i41 h ARG 167 N 0.56 -0.61 -0.90 6.66 9.65 -0.09 -3.13 114.38 126.52 1i41 h ARG 167 Ca 0.57 0.04 0.14 0.00 -1.10 0.00 0.00 59.98 59.64 1i41 h ARG 167 Cb 1.18 0.14 -0.15 0.00 -1.39 0.00 0.00 29.97 29.75 1i41 h ARG 167 CO -0.33 -0.41 -0.34 -0.89 2.80 0.00 0.00 179.97 180.81 1i41 n ILE 168 N -3.84 -0.46 -0.07 1.20 5.41 -0.62 -0.61 119.36 120.37 1i41 n ILE 168 Ca -0.08 2.10 -0.10 0.00 1.00 0.00 0.00 62.75 65.67 1i41 n ILE 168 Cb 0.25 -2.78 -0.04 0.00 -0.71 0.00 0.00 39.64 36.36 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 -1.02 -0.31 1.39 3.57 -1.46 0.43 116.94 119.54 1i41 h PHE 169 Ca 0.32 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 1i41 h PHE 169 Cb 0.55 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1i41 h PHE 169 CO -0.78 -0.42 0.17 0.82 -2.23 0.00 0.00 178.31 175.88 1i41 h ILE 170 N -0.35 1.10 0.00 1.41 2.04 -0.80 0.15 117.51 121.06 1i41 h ILE 170 Ca 0.13 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1i41 h ILE 170 Cb 0.57 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1i41 h ILE 170 CO -0.47 0.11 -0.66 -0.62 0.00 0.00 0.00 178.15 176.51 1i41 n GLU 171 N -4.46 0.22 0.00 2.37 1.02 -0.27 -4.19 120.64 115.33 1i41 n GLU 171 Ca 0.02 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1i41 n GLU 171 Cb 0.09 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1i41 n GLU 171 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i41 n THR 172 N -1.93 0.00 -0.01 2.62 -2.24 0.14 -4.77 114.28 108.08 1i41 n THR 172 Ca 0.04 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1i41 n THR 172 Cb 0.41 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1i41 n THR 172 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1i41 h ILE 173 N 0.00 0.00 -0.95 2.28 1.08 -0.85 -3.38 117.51 115.69 1i41 h ILE 173 Ca 0.00 -0.29 0.31 0.00 -0.39 0.00 0.00 64.86 64.49 1i41 h ILE 173 Cb 0.82 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.39 1i41 h ILE 173 CO 0.00 0.00 0.19 0.18 -0.69 0.00 0.00 178.15 177.83 1i41 n LEU 174 N -2.83 0.04 0.01 1.44 4.77 -1.00 0.80 117.00 120.24 1i41 n LEU 174 Ca -0.00 1.61 0.21 0.00 -0.03 0.00 0.00 56.01 57.79 1i41 n LEU 174 Cb 0.00 -0.65 0.71 0.00 -2.33 0.00 0.00 43.42 41.15 1i41 n LEU 174 CO 0.00 -1.69 1.19 1.55 -1.33 0.00 0.00 177.39 177.12 1i41 h PRO 175 N 0.00 0.00 -0.01 3.23 0.13 -1.73 0.25 132.00 133.87 1i41 h PRO 175 Ca 0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.79 1i41 h PRO 175 Cb 1.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.65 1i41 h PRO 175 CO -0.84 0.00 0.01 0.87 -0.23 0.00 0.00 178.00 177.81 1i41 h LYS 176 N 0.00 0.00 -0.64 0.86 1.57 0.22 0.45 116.57 119.03 1i41 h LYS 176 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1i41 h LYS 176 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 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 -4.25 3.46 -1.30 3.15 2.81 0.85 -4.90 117.12 116.95 1i41 n MET 177 Ca -0.03 -2.48 -0.10 0.00 -1.81 0.00 0.00 57.70 53.28 1i41 n MET 177 Cb 0.10 -1.85 -0.04 0.00 -0.71 0.00 0.00 33.22 30.72 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 0.97 1.11 3.58 3.03 0.00 0.16 -0.31 105.19 113.74 1i41 n GLY 178 Ca 0.22 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.21 4.63 0.26 -0.61 1.01 -1.05 -3.35 121.20 119.88 1i41 s ILE 179 Ca 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 1i41 s ILE 179 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1i41 s ILE 179 CO 0.00 -0.57 0.48 0.28 0.00 0.00 0.00 174.94 175.13 1i41 s THR 180 N 3.36 5.12 0.08 2.92 -1.32 -0.71 -3.67 115.64 121.42 1i41 s THR 180 Ca 0.34 -0.22 0.02 0.00 -1.21 0.00 0.00 61.69 60.62 1i41 s THR 180 Cb -0.12 -3.75 -0.04 0.00 -1.51 0.00 0.00 72.50 67.08 1i41 s THR 180 CO 0.20 -0.29 -0.08 0.00 -2.21 0.00 0.00 174.62 172.24 1i41 s ALA 181 N -2.03 0.90 -0.17 11.08 0.00 -1.26 -1.10 121.76 129.18 1i41 s ALA 181 Ca 0.41 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1i41 s ALA 181 Cb -0.11 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1i41 s ALA 181 CO 0.30 -0.14 -0.18 0.99 0.00 0.00 0.00 175.76 176.74 1i41 s THR 182 N -2.78 1.92 -0.38 0.00 2.01 0.14 -4.93 115.64 111.61 1i41 s THR 182 Ca 0.05 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 1i41 s THR 182 Cb -0.00 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.76 1i41 s THR 182 CO -0.02 0.52 0.27 -0.69 -0.69 0.00 0.00 174.62 174.00 1i41 s VAL 183 N 1.35 5.21 0.34 3.82 1.01 -1.26 -1.87 120.40 129.00 1i41 s VAL 183 Ca 0.05 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1i41 s VAL 183 Cb -0.13 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1i41 s VAL 183 CO -0.12 -0.18 0.07 0.27 0.00 0.00 0.00 175.10 175.14 1i41 s ILE 184 N 1.69 2.81 0.32 2.22 -4.36 -0.57 -4.85 121.20 118.46 1i41 s ILE 184 Ca 0.05 -1.84 -0.27 0.00 -0.26 0.00 0.00 60.65 58.33 1i41 s ILE 184 Cb -0.18 -2.89 -0.09 0.00 1.25 0.00 0.00 42.46 40.55 1i41 s ILE 184 CO 0.10 -0.19 0.98 -0.62 0.24 0.00 0.00 174.94 175.45 1i41 s ASP 185 N -3.78 7.28 0.26 4.36 2.15 -1.26 -1.36 116.67 124.33 1i41 s ASP 185 Ca 0.36 1.96 -0.03 0.00 0.43 0.00 0.00 52.55 55.26 1i41 s ASP 185 Cb -0.01 -2.59 0.54 0.00 -0.30 0.00 0.00 42.92 40.56 1i41 s ASP 185 CO 0.21 -0.12 1.64 -0.65 -0.17 0.00 0.00 175.17 176.08 1i41 h PRO 186 N 3.32 0.14 -0.02 4.34 0.11 -1.95 -2.24 132.00 135.70 1i41 h PRO 186 Ca -0.47 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 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 0.09 -0.13 0.00 -0.21 0.00 0.00 178.00 178.41 1i41 h ALA 187 N 1.74 0.04 -0.02 -0.75 0.00 -1.93 -3.43 119.26 114.92 1i41 h ALA 187 Ca 0.47 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1i41 h ALA 187 Cb 0.88 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1i41 h ALA 187 CO -0.67 -0.02 0.72 -3.47 0.00 0.00 0.00 179.25 175.81 1i41 n ASP 188 N -4.63 -0.94 0.14 0.00 -0.08 -0.84 -4.65 116.55 105.56 1i41 n ASP 188 Ca -0.09 -1.60 0.00 0.00 -1.51 0.00 0.00 54.79 51.59 1i41 n ASP 188 Cb 0.41 -0.79 0.27 0.00 2.34 0.00 0.00 41.12 43.36 1i41 n ASP 188 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1i41 h VAL 189 N 6.57 1.32 0.39 5.18 2.07 -1.82 -3.16 116.25 126.80 1i41 h VAL 189 Ca 0.01 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 1i41 h VAL 189 Cb 0.92 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1i41 h VAL 189 CO 0.99 0.45 -0.35 1.23 0.02 0.00 0.00 177.57 179.91 1i41 h GLY 190 N 1.31 -0.83 -0.32 2.17 0.00 -1.97 -0.25 103.07 103.19 1i41 h GLY 190 Ca 0.00 0.40 0.19 0.00 0.00 0.00 0.00 47.33 47.92 1i41 h GLY 190 CO 0.06 -0.30 0.15 0.00 0.00 0.00 0.00 176.54 176.45 1i41 h ALA 191 N -0.29 1.03 0.87 3.60 0.00 -1.94 0.34 119.26 122.87 1i41 h ALA 191 Ca -0.03 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1i41 h ALA 191 Cb 0.66 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1i41 h ALA 191 CO -0.04 -0.41 -0.46 1.25 0.00 0.00 0.00 179.25 179.59 1i41 h LEU 192 N 0.19 -1.13 -1.25 0.00 5.85 -1.43 0.17 115.31 117.73 1i41 h LEU 192 Ca 0.47 0.05 0.22 0.00 0.84 0.00 0.00 57.88 59.46 1i41 h LEU 192 Cb 0.88 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 42.12 1i41 h LEU 192 CO -0.62 -0.75 0.63 -0.08 -0.34 0.00 0.00 178.44 177.27 1i41 h GLU 193 N -1.22 0.53 0.51 1.25 4.81 0.51 0.47 114.58 121.44 1i41 h GLU 193 Ca -0.12 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1i41 h GLU 193 Cb 0.96 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.22 1i41 h GLU 193 CO 0.17 0.35 -0.25 1.25 -0.73 0.00 0.00 179.01 179.80 1i41 h LEU 194 N 0.55 -0.58 -1.10 1.64 5.85 0.04 -3.00 115.31 118.70 1i41 h LEU 194 Ca 0.56 0.02 0.25 0.00 0.84 0.00 0.00 57.88 59.55 1i41 h LEU 194 Cb 1.18 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 42.24 1i41 h LEU 194 CO -0.31 -0.29 0.62 0.00 -0.34 0.00 0.00 178.44 178.12 1i41 h ALA 195 N -1.43 1.91 -0.79 1.25 0.00 0.16 0.96 119.26 121.32 1i41 h ALA 195 Ca -0.07 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1i41 h ALA 195 Cb 0.53 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1i41 h ALA 195 CO 0.12 -0.37 0.53 -0.07 0.00 0.00 0.00 179.25 179.45 1i41 h LEU 196 N 0.53 0.41 0.05 0.00 -0.00 -0.02 -2.48 115.31 113.81 1i41 h LEU 196 Ca 0.63 0.03 -0.36 0.00 -0.00 0.00 0.00 57.88 58.18 1i41 h LEU 196 Cb 1.31 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.87 1i41 h LEU 196 CO -0.43 0.20 -2.15 0.59 -0.00 0.00 0.00 178.44 176.65 1i41 n ASN 197 N -4.49 1.66 0.00 -0.43 3.02 0.30 -4.61 115.26 110.72 1i41 n ASN 197 Ca 0.15 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1i41 n ASN 197 Cb 0.56 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 -3.27 0.00 -2.17 3.52 6.02 0.43 -4.84 117.38 117.08 1i41 n GLN 198 Ca -0.34 0.40 -0.18 0.00 -0.01 0.00 0.00 57.00 56.87 1i41 n GLN 198 Cb 1.04 -1.32 0.09 0.00 1.02 0.00 0.00 30.24 31.07 1i41 n GLN 198 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1i41 n LYS 199 N -1.59 0.12 -3.50 -1.09 4.01 -0.96 -5.05 118.16 110.09 1i41 n LYS 199 Ca 0.00 -2.14 -0.42 0.00 -0.51 0.00 0.00 58.31 55.24 1i41 n LYS 199 Cb 0.00 -0.48 -0.05 0.00 -0.51 0.00 0.00 35.03 33.99 1i41 n LYS 199 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1i41 s LYS 200 N -4.45 3.25 0.09 1.97 2.36 -1.26 -4.69 119.74 117.01 1i41 s LYS 200 Ca 0.51 -2.63 -0.31 0.00 -2.55 0.00 0.00 55.97 50.99 1i41 s LYS 200 Cb -0.03 -4.14 -0.08 0.00 -1.05 0.00 0.00 37.83 32.53 1i41 s LYS 200 CO 0.34 -1.24 1.47 0.08 1.55 0.00 0.00 175.35 177.55 1i41 s VAL 201 N -0.19 3.21 -0.05 4.02 1.01 -1.26 -4.05 120.40 123.09 1i41 s VAL 201 Ca 0.20 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.98 1i41 s VAL 201 Cb -0.13 -3.51 -0.26 0.00 0.00 0.00 0.00 36.38 32.48 1i41 s VAL 201 CO -0.07 0.04 0.65 0.78 0.00 0.00 0.00 175.10 176.50 1i41 h ASN 202 N 7.29 0.27 -3.46 3.32 4.21 -1.16 -3.36 115.58 122.70 1i41 h ASN 202 Ca -0.41 -0.50 0.03 0.00 1.21 0.00 0.00 56.30 56.62 1i41 h ASN 202 Cb 1.20 -0.09 -0.24 0.00 -1.12 0.00 0.00 38.32 38.07 1i41 h ASN 202 CO 0.89 1.43 0.33 -0.22 -1.29 0.00 0.00 177.43 178.57 1i41 s LEU 203 N -6.72 -0.57 -0.21 1.61 0.20 -1.25 -2.40 118.68 109.34 1i41 s LEU 203 Ca -0.12 1.09 -0.09 0.00 0.69 0.00 0.00 54.13 55.70 1i41 s LEU 203 Cb 0.07 2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 47.88 1i41 s LEU 203 CO 0.82 -0.19 0.11 0.12 -0.29 0.00 0.00 176.35 176.92 1i41 s PHE 204 N 0.34 3.29 -0.03 5.38 5.36 0.93 -1.97 117.98 131.29 1i41 s PHE 204 Ca 0.01 0.13 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 -0.04 0.11 -0.07 0.12 -1.46 0.00 0.00 175.22 173.88 1i41 s PHE 205 N 0.70 0.77 0.09 10.12 5.36 0.11 -0.62 117.98 134.51 1i41 s PHE 205 Ca 0.06 -0.19 -0.27 0.00 -0.96 0.00 0.00 56.93 55.57 1i41 s PHE 205 Cb -0.13 -0.58 0.08 0.00 -0.34 0.00 0.00 43.02 42.05 1i41 s PHE 205 CO 0.02 -0.10 1.00 -0.08 -1.46 0.00 0.00 175.22 174.60 1i41 s THR 206 N 0.33 0.00 -0.04 0.12 -1.32 -0.73 -3.83 115.64 110.17 1i41 s THR 206 Ca -0.04 -0.47 0.01 0.00 -1.21 0.00 0.00 61.69 59.97 1i41 s THR 206 Cb -0.09 -1.80 -0.03 0.00 -1.51 0.00 0.00 72.50 69.07 1i41 s THR 206 CO 0.00 0.00 -0.04 -1.83 -2.21 0.00 0.00 174.62 170.55 1i41 s GLU 207 N -3.11 2.76 -0.17 7.08 -1.05 -1.26 -0.21 118.70 122.74 1i41 s GLU 207 Ca 0.11 -0.58 -0.04 0.00 -0.15 0.00 0.00 54.97 54.31 1i41 s GLU 207 Cb -0.00 -2.63 0.08 0.00 -0.44 0.00 0.00 34.13 31.14 1i41 s GLU 207 CO -0.01 0.65 0.29 0.45 0.95 0.00 0.00 175.26 177.59 1i41 s SER 208 N -1.16 0.51 1.25 0.83 0.15 -1.03 -3.79 113.70 110.46 1i41 s SER 208 Ca 0.15 0.39 -0.17 0.00 0.70 0.00 0.00 55.95 57.03 1i41 s SER 208 Cb -0.11 0.76 0.29 0.00 -1.71 0.00 0.00 66.02 65.25 1i41 s SER 208 CO 0.05 -0.27 0.80 -2.65 1.20 0.00 0.00 173.24 172.37 1i41 n PRO 209 N 5.35 -3.03 -3.01 5.44 -0.02 -1.26 -4.35 135.00 134.12 1i41 n PRO 209 Ca -0.06 -0.87 -0.19 0.00 -2.02 0.00 0.00 63.50 60.36 1i41 n PRO 209 Cb 0.50 -2.00 0.05 0.00 -0.02 0.00 0.00 33.50 32.03 1i41 n PRO 209 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i41 s THR 210 N -2.28 2.32 -0.07 3.45 -1.32 0.21 -4.76 115.64 113.18 1i41 s THR 210 Ca 0.65 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 1i41 s THR 210 Cb -0.20 -2.34 0.01 0.00 -1.51 0.00 0.00 72.50 68.47 1i41 s THR 210 CO 0.62 0.00 -0.13 0.21 -2.21 0.00 0.00 174.62 173.12 1i41 s ASN 211 N -4.60 1.93 0.00 8.08 3.04 -1.23 -1.87 114.94 120.29 1i41 s ASN 211 Ca 0.61 -0.32 0.23 0.00 0.04 0.00 0.00 52.86 53.42 1i41 s ASN 211 Cb -0.07 -0.88 0.20 0.00 -1.54 0.00 0.00 41.25 38.96 1i41 s ASN 211 CO 0.38 0.03 1.25 -0.81 -3.04 0.00 0.00 177.10 174.91 1i41 n PRO 212 N 3.91 2.28 -0.06 0.43 -0.04 -1.26 -4.53 135.00 135.73 1i41 n PRO 212 Ca -0.22 -1.93 0.01 0.00 -0.04 0.00 0.00 63.50 61.33 1i41 n PRO 212 Cb 0.52 -1.45 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 1i41 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i41 n PHE 213 N 1.33 0.14 -4.27 0.54 3.72 -1.26 -4.59 117.46 113.08 1i41 n PHE 213 Ca 0.14 -0.06 -0.37 0.00 -0.05 0.00 0.00 57.45 57.11 1i41 n PHE 213 Cb 0.59 -0.05 -0.08 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.16 -0.78 -4.78 4.37 4.77 -0.78 -4.73 117.00 114.91 1i41 n LEU 214 Ca 0.03 -1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 54.52 1i41 n LEU 214 Cb 0.16 -1.46 -0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1i41 n LEU 214 CO 0.02 0.15 0.76 -0.13 -1.33 0.00 0.00 177.39 176.86 1i41 s ARG 215 N -6.76 3.40 0.09 3.23 1.81 -1.26 -4.22 118.95 115.24 1i41 s ARG 215 Ca 0.64 1.51 0.09 0.00 -1.72 0.00 0.00 55.73 56.25 1i41 s ARG 215 Cb -0.37 -2.02 -0.03 0.00 -0.45 0.00 0.00 34.95 32.07 1i41 s ARG 215 CO 0.94 -0.79 -0.24 0.00 -0.68 0.00 0.00 175.30 174.53 1i41 s VAL 217 N -0.99 3.67 -1.08 0.00 1.01 -1.26 -4.69 120.40 117.05 1i41 s VAL 217 Ca 0.10 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.39 1i41 s VAL 217 Cb -0.10 -2.60 -0.15 0.00 0.00 0.00 0.00 36.38 33.53 1i41 s VAL 217 CO 0.04 0.50 2.06 -0.62 0.00 0.00 0.00 175.10 177.08 1i41 s ASP 218 N 0.41 4.20 0.16 3.32 -1.08 -1.26 -4.75 116.67 117.67 1i41 s ASP 218 Ca -0.05 -1.12 -0.29 0.00 -0.52 0.00 0.00 52.55 50.57 1i41 s ASP 218 Cb -0.15 -2.59 -0.02 0.00 -1.46 0.00 0.00 42.92 38.71 1i41 s ASP 218 CO 0.03 -3.90 1.56 0.40 0.52 0.00 0.00 175.17 173.78 1i41 h ILE 219 N 6.64 0.04 -0.67 4.11 2.04 -1.94 -0.70 117.51 127.03 1i41 h ILE 219 Ca 0.09 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.10 1i41 h ILE 219 Cb 0.98 0.04 -0.11 0.00 -0.74 0.00 0.00 36.82 36.98 1i41 h ILE 219 CO 1.11 0.00 0.04 -0.08 0.00 0.00 0.00 178.15 179.22 1i41 h GLU 220 N -0.24 0.14 0.44 2.37 4.81 -1.86 0.23 114.58 120.48 1i41 h GLU 220 Ca 0.15 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1i41 h GLU 220 Cb 0.55 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1i41 h GLU 220 CO -0.71 0.10 -0.21 1.25 -0.73 0.00 0.00 179.01 178.70 1i41 h LEU 221 N 0.15 -0.50 -0.65 1.64 5.85 -1.60 -2.56 115.31 117.64 1i41 h LEU 221 Ca 0.36 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.20 1i41 h LEU 221 Cb 0.60 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.64 1i41 h LEU 221 CO -0.55 -0.33 -0.39 0.58 -0.34 0.00 0.00 178.44 177.41 1i41 h VAL 222 N -0.64 0.11 -0.77 1.05 2.07 -0.87 0.95 116.25 118.15 1i41 h VAL 222 Ca -0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.60 1i41 h VAL 222 Cb 0.45 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 30.19 1i41 h VAL 222 CO 0.10 0.00 -0.30 0.28 0.02 0.00 0.00 177.57 177.67 1i41 h SER 223 N -0.17 -1.07 0.00 0.57 0.02 -0.59 -0.19 113.55 112.13 1i41 h SER 223 Ca 0.22 0.25 0.03 0.00 -0.84 0.00 0.00 61.79 61.45 1i41 h SER 223 Cb 0.56 0.59 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 1i41 h SER 223 CO -0.73 -0.29 -0.20 0.50 -1.14 0.00 0.00 176.83 174.97 1i41 h LYS 224 N -0.06 -0.31 0.37 3.45 3.64 -0.40 -0.42 116.57 122.83 1i41 h LYS 224 Ca 0.32 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1i41 h LYS 224 Cb 0.58 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1i41 h LYS 224 CO -0.81 -0.21 -0.40 -0.07 -2.27 0.00 0.00 179.45 175.69 1i41 h LEU 225 N -0.32 -1.09 0.04 5.20 3.38 -0.39 -2.40 115.31 119.72 1i41 h LEU 225 Ca 0.06 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1i41 h LEU 225 Cb 0.40 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1i41 h LEU 225 CO -0.18 -0.54 -0.28 0.00 0.09 0.00 0.00 178.44 177.53 1i41 h HIS 227 N -0.44 0.00 0.00 0.00 3.86 -0.97 0.46 115.15 118.05 1i41 h HIS 227 Ca 0.05 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 1i41 h HIS 227 Cb 0.51 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1i41 h HIS 227 CO -0.29 0.00 -0.50 1.49 0.86 0.00 0.00 177.93 179.49 1i41 h GLU 228 N 0.00 0.00 -0.51 2.45 4.81 -0.67 -3.03 114.58 117.63 1i41 h GLU 228 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1i41 h GLU 228 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1i41 h GLU 228 CO -0.00 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 180.41 1i41 n LYS 229 N -3.75 3.03 -0.97 1.92 4.76 0.15 -4.96 118.16 118.34 1i41 n LYS 229 Ca -0.01 -2.48 0.00 0.00 -2.87 0.00 0.00 58.31 52.95 1i41 n LYS 229 Cb 0.55 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1i41 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i41 n GLY 230 N 0.85 0.86 3.82 0.72 0.00 -0.84 -4.89 105.19 105.70 1i41 n GLY 230 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.50 2.64 0.09 4.61 0.00 -1.00 -4.93 121.76 119.67 1i41 s ALA 231 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1i41 s ALA 231 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1i41 s ALA 231 CO 0.00 -1.28 0.06 -0.51 0.00 0.00 0.00 175.76 174.03 1i41 s LEU 232 N -5.57 3.68 -0.15 0.00 1.43 -1.01 -4.01 118.68 113.05 1i41 s LEU 232 Ca 0.58 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1i41 s LEU 232 Cb -0.14 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1i41 s LEU 232 CO 0.55 0.16 -0.19 -0.69 0.23 0.00 0.00 176.35 176.41 1i41 s VAL 233 N -1.41 2.35 -0.14 -1.59 1.01 -1.26 0.31 120.40 119.67 1i41 s VAL 233 Ca 0.28 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1i41 s VAL 233 Cb -0.12 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1i41 s VAL 233 CO 0.21 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.69 1i41 s ILE 235 N 1.36 3.70 -1.09 0.00 -1.09 0.18 -1.78 121.20 122.48 1i41 s ILE 235 Ca 0.02 -0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 57.89 1i41 s ILE 235 Cb -0.13 -2.62 0.20 0.00 -1.58 0.00 0.00 42.46 38.33 1i41 s ILE 235 CO -0.09 0.49 1.21 -0.62 -1.23 0.00 0.00 174.94 174.70 1i41 s ASP 236 N 0.48 7.04 -0.07 3.58 -1.08 0.70 -1.25 116.67 126.07 1i41 s ASP 236 Ca -0.04 -2.99 0.01 0.00 -0.52 0.00 0.00 52.55 49.00 1i41 s ASP 236 Cb -0.15 -2.32 0.10 0.00 -1.46 0.00 0.00 42.92 39.09 1i41 s ASP 236 CO 0.03 -0.64 1.22 0.61 0.52 0.00 0.00 175.17 176.91 1i41 n GLY 237 N 3.89 2.44 0.46 2.66 0.00 -1.09 -2.47 105.19 111.07 1i41 n GLY 237 Ca 0.28 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 0.23 0.01 -0.79 2.61 2.02 -1.85 0.84 112.91 115.98 1i41 h THR 238 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1i41 h THR 238 Cb 1.25 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1i41 h THR 238 CO 0.17 0.00 0.52 -0.26 0.37 0.00 0.00 175.52 176.32 1i41 h PHE 239 N -0.53 0.93 0.59 3.16 0.04 -1.86 -3.14 116.94 116.13 1i41 h PHE 239 Ca 0.05 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1i41 h PHE 239 Cb 0.66 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.51 1i41 h PHE 239 CO -0.62 0.53 -0.28 0.00 -0.60 0.00 0.00 178.31 177.34 1i41 h ALA 240 N 1.54 -0.80 0.00 2.45 0.00 -1.48 -3.41 119.26 117.57 1i41 h ALA 240 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1i41 h ALA 240 Cb 0.07 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1i41 h ALA 240 CO -0.10 -0.82 0.00 2.41 0.00 0.00 0.00 179.25 180.74 1i41 n THR 241 N -5.35 -0.64 0.22 0.00 -1.04 0.18 -3.78 114.28 103.88 1i41 n THR 241 Ca -0.12 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.98 1i41 n THR 241 Cb 0.35 -0.23 0.45 0.00 -1.82 0.00 0.00 70.33 69.08 1i41 n THR 241 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1i41 h PRO 242 N 0.00 0.00 0.20 -2.82 0.13 -1.83 -0.44 132.00 127.24 1i41 h PRO 242 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 1i41 h PRO 242 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1i41 h PRO 242 CO 0.00 0.00 -1.53 -0.07 -0.23 0.00 0.00 178.00 176.17 1i41 h LEU 243 N 0.00 0.67 0.00 1.56 3.38 -1.95 -3.33 115.31 115.63 1i41 h LEU 243 Ca 0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1i41 h LEU 243 Cb 0.72 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1i41 h LEU 243 CO 0.00 1.65 -0.19 0.59 0.09 0.00 0.00 178.44 180.58 1i41 n ASN 244 N -3.62 0.21 -3.59 -0.43 3.02 -0.20 -4.84 115.26 105.82 1i41 n ASN 244 Ca -0.18 0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.52 1i41 n ASN 244 Cb 1.08 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.97 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 -3.01 0.49 -0.67 3.52 -2.07 -1.07 -1.65 119.66 115.20 1i41 s GLN 245 Ca 0.13 0.10 0.05 0.00 -1.82 0.00 0.00 55.36 53.82 1i41 s GLN 245 Cb 0.18 0.23 0.20 0.00 -1.09 0.00 0.00 33.01 32.53 1i41 s GLN 245 CO 0.60 -0.16 0.57 1.63 -1.32 0.00 0.00 175.29 176.61 1i41 n LYS 246 N 0.63 2.00 -0.35 9.60 4.76 -1.26 -4.29 118.16 129.25 1i41 n LYS 246 Ca -0.08 -4.50 0.15 0.00 -2.87 0.00 0.00 58.31 51.02 1i41 n LYS 246 Cb 0.58 -2.24 0.36 0.00 -1.84 0.00 0.00 35.03 31.88 1i41 n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i41 h ALA 247 N 4.97 1.74 -0.90 7.82 0.00 -1.94 0.18 119.26 131.13 1i41 h ALA 247 Ca 0.17 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1i41 h ALA 247 Cb 0.73 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1i41 h ALA 247 CO 0.74 -0.17 0.52 -0.07 0.00 0.00 0.00 179.25 180.28 1i41 h LEU 248 N 0.67 1.11 -0.75 0.00 3.38 -1.86 -0.80 115.31 117.05 1i41 h LEU 248 Ca 0.61 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.37 1i41 h LEU 248 Cb 1.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1i41 h LEU 248 CO -0.43 0.87 -0.50 0.00 0.09 0.00 0.00 178.44 178.47 1i41 h ALA 249 N 1.31 0.93 0.00 1.53 0.00 -1.00 -2.49 119.26 119.55 1i41 h ALA 249 Ca 0.32 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1i41 h ALA 249 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1i41 h ALA 249 CO -0.06 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.14 1i41 n LEU 250 N -3.96 0.00 0.00 0.00 4.77 -0.35 -4.83 117.00 112.63 1i41 n LEU 250 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1i41 n LEU 250 Cb 0.55 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1i41 n LEU 250 CO 0.44 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1i41 n GLY 251 N 0.24 1.98 3.57 -0.72 0.00 -0.94 -3.69 105.19 105.63 1i41 n GLY 251 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.80 -0.27 0.08 4.61 0.00 -0.39 -4.94 120.51 118.80 1i41 n ALA 252 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1i41 n ALA 252 Cb 0.00 -2.02 -0.15 0.00 0.00 0.00 0.00 19.45 17.28 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 0.35 0.62 -3.64 0.00 3.32 -1.46 -3.41 116.42 112.21 1i41 h ASP 253 Ca -0.48 -0.92 -0.23 0.00 0.02 0.00 0.00 57.03 55.42 1i41 h ASP 253 Cb 1.38 -0.20 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 1i41 h ASP 253 CO 0.49 1.69 -0.63 -0.76 -1.72 0.00 0.00 179.24 178.32 1i41 s LEU 254 N -7.50 1.34 -0.09 1.55 1.43 -0.31 -4.13 118.68 110.97 1i41 s LEU 254 Ca -0.15 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1i41 s LEU 254 Cb 0.04 0.26 0.01 0.00 0.03 0.00 0.00 46.19 46.53 1i41 s LEU 254 CO 0.86 -0.08 -0.19 0.54 0.23 0.00 0.00 176.35 177.71 1i41 s VAL 255 N 0.49 1.68 0.10 -1.59 0.11 -0.83 0.48 120.40 120.85 1i41 s VAL 255 Ca -0.04 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.29 1i41 s VAL 255 Cb -0.05 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.29 1i41 s VAL 255 CO -0.02 0.48 -0.19 -1.48 -3.33 0.00 0.00 175.10 170.56 1i41 s LEU 256 N 0.47 2.32 0.12 2.54 0.05 -0.38 -0.89 118.68 122.91 1i41 s LEU 256 Ca -0.17 -0.70 0.02 0.00 0.05 0.00 0.00 54.13 53.33 1i41 s LEU 256 Cb -0.17 -0.78 -0.04 0.00 -2.05 0.00 0.00 46.19 43.14 1i41 s LEU 256 CO 0.07 0.01 -0.04 -1.00 -0.55 0.00 0.00 176.35 174.83 1i41 s HIS 257 N -1.35 0.99 -0.79 3.48 3.76 0.92 -2.68 115.29 119.62 1i41 s HIS 257 Ca 0.06 -0.95 -0.07 0.00 -0.15 0.00 0.00 55.06 53.96 1i41 s HIS 257 Cb -0.09 -0.57 0.20 0.00 1.11 0.00 0.00 32.58 33.23 1i41 s HIS 257 CO 0.04 -0.17 0.68 0.45 -0.85 0.00 0.00 174.74 174.89 1i41 s SER 258 N -3.08 6.07 0.64 1.40 0.15 -1.26 -1.63 113.70 115.98 1i41 s SER 258 Ca 0.16 -3.07 0.15 0.00 0.70 0.00 0.00 55.95 53.88 1i41 s SER 258 Cb 0.05 -2.01 0.79 0.00 -1.71 0.00 0.00 66.02 63.15 1i41 s SER 258 CO -0.02 -0.38 1.43 0.00 1.20 0.00 0.00 173.24 175.47 1i41 h ALA 259 N 6.99 1.63 -0.98 5.45 0.00 -1.20 0.62 119.26 131.78 1i41 h ALA 259 Ca 0.08 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.22 1i41 h ALA 259 Cb 0.94 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1i41 h ALA 259 CO 0.78 -0.63 0.64 1.15 0.00 0.00 0.00 179.25 181.18 1i41 h THR 260 N 0.00 0.61 0.00 0.00 2.02 -1.73 -0.91 112.91 112.90 1i41 h THR 260 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1i41 h THR 260 Cb 1.30 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1i41 h THR 260 CO 0.00 0.08 0.00 0.29 0.37 0.00 0.00 175.52 176.26 1i41 n LYS 261 N -4.57 0.00 -0.03 6.66 4.76 0.21 -4.42 118.16 120.77 1i41 n LYS 261 Ca 0.22 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.51 1i41 n LYS 261 Cb 0.77 0.00 -0.10 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 0.39 -0.24 2.13 0.04 -1.73 0.26 116.94 117.80 1i41 h PHE 262 Ca 0.00 -0.18 0.06 0.00 2.80 0.00 0.00 57.97 60.65 1i41 h PHE 262 Cb 0.00 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 1i41 h PHE 262 CO 0.00 0.91 -0.18 -0.07 -0.60 0.00 0.00 178.31 178.37 1i41 h LEU 263 N -0.24 -0.58 0.07 1.54 3.38 -1.84 -2.05 115.31 115.59 1i41 h LEU 263 Ca -0.02 0.12 -0.29 0.00 0.09 0.00 0.00 57.88 57.78 1i41 h LEU 263 Cb 0.95 0.29 0.03 0.00 0.09 0.00 0.00 40.66 42.02 1i41 h LEU 263 CO 0.06 -0.22 -1.17 1.23 0.09 0.00 0.00 178.44 178.43 1i41 h GLY 264 N -0.18 0.75 -4.85 0.83 0.00 -1.29 -3.21 103.07 95.12 1i41 h GLY 264 Ca 0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 47.33 45.97 1i41 h GLY 264 CO -0.34 1.28 -0.06 0.61 0.00 0.00 0.00 176.54 178.03 1i41 n GLY 265 N 1.26 -0.50 0.00 4.60 0.00 0.92 -4.63 105.19 106.84 1i41 n GLY 265 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1i41 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i41 n HIS 266 N -2.65 0.00 -3.43 1.61 8.25 -1.26 -1.83 115.22 115.91 1i41 n HIS 266 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.25 1i41 n HIS 266 Cb 0.52 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.70 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 -0.04 -4.31 -0.97 0.41 3.02 -1.26 -4.82 115.26 107.29 1i41 n ASN 267 Ca 0.00 -0.53 0.01 0.00 -0.03 0.00 0.00 54.58 54.03 1i41 n ASN 267 Cb 0.13 -4.73 -0.00 0.00 -0.61 0.00 0.00 39.78 34.57 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 -2.80 0.26 -3.63 6.41 5.68 -1.26 -5.11 116.55 116.10 1i41 n ASP 268 Ca -0.11 -1.88 -0.06 0.00 -0.50 0.00 0.00 54.79 52.24 1i41 n ASP 268 Cb 0.60 -0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 40.37 1i41 n ASP 268 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1i41 s VAL 269 N 0.00 0.00 0.05 2.12 0.11 -1.26 -5.10 120.40 116.31 1i41 s VAL 269 Ca 0.14 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1i41 s VAL 269 Cb 0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1i41 s VAL 269 CO -0.07 0.00 0.04 -0.76 -3.33 0.00 0.00 175.10 170.98 1i41 s LEU 270 N -0.40 3.65 -0.29 2.54 1.43 -1.26 -4.35 118.68 119.99 1i41 s LEU 270 Ca 0.05 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 1i41 s LEU 270 Cb -0.03 -2.24 0.14 0.00 0.03 0.00 0.00 46.19 44.09 1i41 s LEU 270 CO -0.08 0.22 1.05 0.00 0.23 0.00 0.00 176.35 177.77 1i41 s ALA 271 N -1.25 -2.16 0.21 4.21 0.00 -1.22 -4.64 121.76 116.92 1i41 s ALA 271 Ca 0.25 2.01 0.04 0.00 0.00 0.00 0.00 51.96 54.26 1i41 s ALA 271 Cb -0.12 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 1i41 s ALA 271 CO 0.16 -0.28 0.33 0.20 0.00 0.00 0.00 175.76 176.17 1i41 s GLY 272 N 0.74 1.38 -0.28 0.00 0.00 -1.08 -0.67 107.32 107.41 1i41 s GLY 272 Ca -0.02 -1.18 -0.15 0.00 0.00 0.00 0.00 44.72 43.36 1i41 s GLY 272 CO -0.11 -1.20 0.68 0.00 0.00 0.00 0.00 173.10 172.48 1i41 s ILE 274 N 1.75 0.52 0.16 0.00 1.01 -0.35 -0.05 121.20 124.24 1i41 s ILE 274 Ca -0.10 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.54 1i41 s ILE 274 Cb -0.06 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1i41 s ILE 274 CO -0.20 0.23 -0.19 -0.44 0.00 0.00 0.00 174.94 174.34 1i41 s SER 275 N 1.02 2.76 0.00 3.58 0.01 -0.07 0.55 113.70 121.55 1i41 s SER 275 Ca -0.10 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1i41 s SER 275 Cb -0.14 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1i41 s SER 275 CO -0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1i41 n GLY 276 N 0.37 -0.60 3.77 3.44 0.00 -0.86 -1.96 105.19 109.36 1i41 n GLY 276 Ca -0.14 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1i41 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i41 s PRO 277 N -1.54 3.83 0.05 1.61 0.04 -1.26 -2.08 135.00 135.65 1i41 s PRO 277 Ca 0.00 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1i41 s PRO 277 Cb 0.00 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 1i41 s PRO 277 CO 0.00 -0.47 1.31 1.25 0.04 0.00 0.00 177.00 179.13 1i41 h LEU 278 N 2.07 -0.80 -1.78 -3.56 6.46 -1.88 0.74 115.31 116.55 1i41 h LEU 278 Ca -0.49 0.07 0.52 0.00 -0.12 0.00 0.00 57.88 57.85 1i41 h LEU 278 Cb 1.24 0.27 -0.07 0.00 -0.73 0.00 0.00 40.66 41.37 1i41 h LEU 278 CO 0.60 -0.37 1.33 1.17 -0.62 0.00 0.00 178.44 180.56 1i41 n LYS 279 N -4.10 0.00 -0.04 1.25 4.81 -1.26 -0.90 118.16 117.92 1i41 n LYS 279 Ca -0.06 1.02 -0.03 0.00 -0.87 0.00 0.00 58.31 58.36 1i41 n LYS 279 Cb 0.26 -2.37 -0.01 0.00 0.02 0.00 0.00 35.03 32.93 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 -3.74 1.12 -0.30 3.14 4.77 -0.79 -4.08 117.00 117.13 1i41 n LEU 280 Ca 0.40 0.46 0.10 0.00 -0.03 0.00 0.00 56.01 56.94 1i41 n LEU 280 Cb 1.86 -0.72 0.26 0.00 -2.33 0.00 0.00 43.42 42.49 1i41 n LEU 280 CO 0.40 -0.47 1.07 1.62 -1.33 0.00 0.00 177.39 178.67 1i41 h VAL 281 N -0.62 0.60 -0.65 4.08 3.04 -0.19 -0.49 116.25 122.03 1i41 h VAL 281 Ca 0.00 -0.17 0.09 0.00 -1.01 0.00 0.00 66.70 65.61 1i41 h VAL 281 Cb 0.34 0.06 -0.07 0.00 -2.01 0.00 0.00 31.29 29.61 1i41 h VAL 281 CO 0.00 0.09 0.29 0.77 -1.01 0.00 0.00 177.57 177.71 1i41 h SER 282 N 0.50 0.35 -0.48 3.17 4.64 -1.24 0.12 113.55 120.61 1i41 h SER 282 Ca 0.50 0.07 0.14 0.00 -0.47 0.00 0.00 61.79 62.03 1i41 h SER 282 Cb 0.84 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1i41 h SER 282 CO -0.44 0.21 0.37 -0.33 -0.87 0.00 0.00 176.83 175.76 1i41 h GLU 283 N 0.51 0.00 0.01 4.77 4.39 -1.23 -0.39 114.58 122.64 1i41 h GLU 283 Ca 0.32 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 1i41 h GLU 283 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1i41 h GLU 283 CO -0.28 0.00 -0.08 0.82 -1.16 0.00 0.00 179.01 178.32 1i41 h ILE 284 N 0.00 1.77 -1.10 3.13 2.04 -0.80 -3.27 117.51 119.29 1i41 h ILE 284 Ca 0.23 -2.36 0.30 0.00 1.00 0.00 0.00 64.86 64.03 1i41 h ILE 284 Cb 0.96 3.38 -0.08 0.00 -0.74 0.00 0.00 36.82 40.34 1i41 h ILE 284 CO -0.00 0.62 0.74 -0.09 0.00 0.00 0.00 178.15 179.41 1i41 h ARG 285 N -0.95 0.22 0.07 2.37 2.43 0.36 0.26 114.38 119.15 1i41 h ARG 285 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1i41 h ARG 285 Cb 1.05 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1i41 h ARG 285 CO 0.01 0.15 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.67 1i41 h ASN 286 N 0.23 -0.08 0.38 -3.80 2.35 -1.20 -1.09 115.58 112.38 1i41 h ASN 286 Ca 0.59 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 56.04 1i41 h ASN 286 Cb 1.83 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 40.21 1i41 h ASN 286 CO -0.19 0.18 -0.38 0.25 -1.65 0.00 0.00 177.43 175.64 1i41 h LEU 287 N -0.35 0.00 -1.13 1.61 5.85 -0.90 -2.34 115.31 118.06 1i41 h LEU 287 Ca -0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1i41 h LEU 287 Cb 0.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1i41 h LEU 287 CO 0.02 0.38 -0.07 -0.74 -0.34 0.00 0.00 178.44 177.69 1i41 h HIS 288 N 0.00 0.56 0.00 1.25 2.76 -0.36 -1.48 115.15 117.88 1i41 h HIS 288 Ca -0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1i41 h HIS 288 Cb 0.67 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1i41 h HIS 288 CO 0.00 0.59 0.00 0.72 -1.30 0.00 0.00 177.93 177.94 1i41 n HIS 289 N -4.23 0.00 -0.05 5.26 8.25 -0.43 -1.76 115.22 122.25 1i41 n HIS 289 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1i41 n HIS 289 Cb 0.29 -0.35 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.35 0.58 0.28 1.59 5.41 -0.64 -4.52 119.36 120.72 1i41 n ILE 290 Ca 0.03 -0.17 0.09 0.00 1.00 0.00 0.00 62.75 63.71 1i41 n ILE 290 Cb 0.07 -1.42 0.44 0.00 -0.71 0.00 0.00 39.64 38.02 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 -3.28 0.45 -3.68 1.39 4.77 -0.71 -4.90 117.00 111.05 1i41 n LEU 291 Ca -0.20 0.65 -0.30 0.00 -0.03 0.00 0.00 56.01 56.13 1i41 n LEU 291 Cb 0.66 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1i41 n LEU 291 CO 0.04 -0.64 -0.06 0.61 -1.33 0.00 0.00 177.39 176.00 1i41 n GLY 292 N -0.64 -1.03 1.94 -0.72 0.00 -0.72 -4.90 105.19 99.12 1i41 n GLY 292 Ca 0.01 0.46 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.72 5.04 3.52 -0.02 0.00 -1.26 -5.03 105.19 105.73 1i41 n GLY 293 Ca -0.11 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 43.98 1i41 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 294 N -1.06 -1.01 -2.65 4.61 0.00 -1.26 -1.04 120.51 118.10 1i41 n ALA 294 Ca 0.52 0.30 -0.37 0.00 0.00 0.00 0.00 53.44 53.89 1i41 n ALA 294 Cb 1.23 -1.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1i41 n ALA 294 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i41 s LEU 295 N 1.16 4.38 0.24 0.00 2.96 -1.26 -4.44 118.68 121.72 1i41 s LEU 295 Ca 0.61 0.74 -0.30 0.00 -0.22 0.00 0.00 54.13 54.97 1i41 s LEU 295 Cb -0.69 -2.45 -0.09 0.00 0.50 0.00 0.00 46.19 43.46 1i41 s LEU 295 CO 0.58 0.24 1.12 0.21 -1.32 0.00 0.00 176.35 177.19 1i41 s ASN 296 N -0.46 7.22 0.26 3.68 3.84 -1.26 -4.90 114.94 123.32 1i41 s ASN 296 Ca 0.20 2.24 -0.02 0.00 0.21 0.00 0.00 52.86 55.50 1i41 s ASN 296 Cb -0.15 -2.62 0.56 0.00 -0.55 0.00 0.00 41.25 38.49 1i41 s ASN 296 CO 0.09 -0.21 1.67 -0.65 -2.79 0.00 0.00 177.10 175.21 1i41 h PRO 297 N 4.31 0.24 -0.73 0.43 0.11 -1.96 -0.50 132.00 133.90 1i41 h PRO 297 Ca -0.46 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1i41 h PRO 297 Cb 1.21 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1i41 h PRO 297 CO 0.69 0.16 0.47 -0.91 -0.21 0.00 0.00 178.00 178.20 1i41 h ASN 298 N 0.25 0.79 0.14 -2.05 2.35 -1.92 -0.47 115.58 114.67 1i41 h ASN 298 Ca 0.47 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.21 1i41 h ASN 298 Cb 0.86 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1i41 h ASN 298 CO -0.57 0.55 -0.07 0.00 -1.65 0.00 0.00 177.43 175.69 1i41 h ALA 299 N 1.30 -0.19 -0.59 -0.83 0.00 -1.53 -2.15 119.26 115.27 1i41 h ALA 299 Ca 0.29 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1i41 h ALA 299 Cb -0.02 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 1i41 h ALA 299 CO -0.10 -0.55 -0.48 0.00 0.00 0.00 0.00 179.25 178.13 1i41 h ALA 300 N 0.54 -0.44 -0.27 0.00 0.00 -0.66 -0.29 119.26 118.14 1i41 h ALA 300 Ca -0.02 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1i41 h ALA 300 Cb 0.24 1.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1i41 h ALA 300 CO 0.03 -0.89 -0.12 -0.92 0.00 0.00 0.00 179.25 177.35 1i41 h TYR 301 N -0.24 -0.29 -1.05 0.00 3.20 -0.98 -0.59 116.97 117.01 1i41 h TYR 301 Ca 0.16 0.03 0.28 0.00 3.14 0.00 0.00 58.73 62.34 1i41 h TYR 301 Cb 0.56 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 1i41 h TYR 301 CO -0.75 -0.19 0.71 -0.07 -1.64 0.00 0.00 178.16 176.22 1i41 h LEU 302 N -0.08 0.26 -0.00 2.82 3.38 -0.40 0.34 115.31 121.62 1i41 h LEU 302 Ca 0.14 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1i41 h LEU 302 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1i41 h LEU 302 CO -0.32 0.05 -0.47 0.40 0.09 0.00 0.00 178.44 178.19 1i41 h ILE 303 N 0.23 1.47 -0.92 1.22 5.03 -0.35 -1.75 117.51 122.45 1i41 h ILE 303 Ca 0.56 -2.02 0.16 0.00 -0.12 0.00 0.00 64.86 63.43 1i41 h ILE 303 Cb 1.72 2.64 -0.10 0.00 -3.03 0.00 0.00 36.82 38.06 1i41 h ILE 303 CO -0.17 0.58 0.52 0.40 -0.68 0.00 0.00 178.15 178.79 1i41 h ILE 304 N -0.24 0.75 -0.31 -0.67 2.04 0.63 0.18 117.51 119.89 1i41 h ILE 304 Ca -0.06 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1i41 h ILE 304 Cb 1.20 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1i41 h ILE 304 CO 0.09 0.13 -0.06 -0.09 0.00 0.00 0.00 178.15 178.22 1i41 h ARG 305 N 0.72 0.59 -0.19 2.37 2.43 -0.69 -2.93 114.38 116.67 1i41 h ARG 305 Ca 0.50 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1i41 h ARG 305 Cb 0.71 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1i41 h ARG 305 CO -0.36 0.77 0.10 0.78 -1.51 0.00 0.00 179.97 179.76 1i41 h GLY 306 N 0.36 0.28 2.00 2.80 0.00 -0.13 -1.90 103.07 106.48 1i41 h GLY 306 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1i41 h GLY 306 CO 0.03 0.12 0.00 1.03 0.00 0.00 0.00 176.54 177.72 1i41 n MET 307 N -4.90 0.07 0.30 4.80 2.81 0.45 -1.76 117.12 118.89 1i41 n MET 307 Ca -0.04 0.48 0.17 0.00 -1.81 0.00 0.00 57.70 56.50 1i41 n MET 307 Cb 0.07 -1.68 0.96 0.00 -0.71 0.00 0.00 33.22 31.85 1i41 n MET 307 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i41 h LYS 308 N 0.00 0.00 -0.47 0.03 1.79 -1.15 -1.83 116.57 114.95 1i41 h LYS 308 Ca 0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 1i41 h LYS 308 Cb 0.10 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 30.39 1i41 h LYS 308 CO 0.00 0.02 -0.90 0.25 -1.08 0.00 0.00 179.45 177.74 1i41 n THR 309 N -3.64 1.81 0.43 -0.16 -2.24 -0.72 -4.68 114.28 105.07 1i41 n THR 309 Ca -0.03 -3.33 -0.17 0.00 -2.27 0.00 0.00 64.05 58.26 1i41 n THR 309 Cb 0.10 0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 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 2.04 -0.92 0.00 3.22 5.85 -1.37 -2.21 115.31 121.93 1i41 h LEU 310 Ca 0.09 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1i41 h LEU 310 Cb 1.42 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.63 1i41 h LEU 310 CO 0.40 -0.66 -0.50 1.12 -0.34 0.00 0.00 178.44 178.46 1i41 h HIS 311 N -1.10 -1.46 -0.86 1.25 2.07 -1.91 0.13 115.15 113.27 1i41 h HIS 311 Ca -0.11 0.05 0.17 0.00 -2.85 0.00 0.00 60.37 57.62 1i41 h HIS 311 Cb 0.83 0.64 -0.16 0.00 2.57 0.00 0.00 27.41 31.29 1i41 h HIS 311 CO 0.04 -0.56 -0.25 -0.07 -3.07 0.00 0.00 177.93 174.03 1i41 h LEU 312 N -0.65 -0.92 -0.29 6.12 3.38 -1.94 0.40 115.31 121.41 1i41 h LEU 312 Ca 0.02 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1i41 h LEU 312 Cb 0.71 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1i41 h LEU 312 CO -0.35 -0.29 0.04 0.03 0.09 0.00 0.00 178.44 177.96 1i41 h ARG 313 N -0.02 0.49 0.48 1.13 3.08 -0.65 -3.04 114.38 115.85 1i41 h ARG 313 Ca 0.39 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1i41 h ARG 313 Cb 0.63 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1i41 h ARG 313 CO -0.89 0.61 -0.23 0.28 -1.07 0.00 0.00 179.97 178.67 1i41 h VAL 314 N 0.30 0.53 -0.55 2.04 2.07 0.12 -2.67 116.25 118.09 1i41 h VAL 314 Ca 0.09 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1i41 h VAL 314 Cb 0.36 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1i41 h VAL 314 CO 0.01 0.01 -0.33 1.67 0.02 0.00 0.00 177.57 178.95 1i41 n GLN 315 N -5.36 -0.24 -0.15 1.57 7.27 0.12 0.16 117.38 120.75 1i41 n GLN 315 Ca -0.12 1.20 -0.03 0.00 0.07 0.00 0.00 57.00 58.12 1i41 n GLN 315 Cb 0.27 -1.78 0.06 0.00 2.41 0.00 0.00 30.24 31.20 1i41 n GLN 315 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1i41 h GLN 316 N 0.00 0.30 -0.65 3.69 5.75 -1.55 -2.17 115.11 120.48 1i41 h GLN 316 Ca 0.09 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1i41 h GLN 316 Cb 0.23 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1i41 h GLN 316 CO -0.52 0.20 0.36 1.96 -2.65 0.00 0.00 178.83 178.17 1i41 h GLN 317 N 0.31 0.90 -0.95 1.69 4.20 -0.77 -1.81 115.11 118.67 1i41 h GLN 317 Ca 0.23 -0.10 0.13 0.00 0.06 0.00 0.00 58.65 58.97 1i41 h GLN 317 Cb 0.26 -0.18 -0.09 0.00 0.30 0.00 0.00 27.48 27.77 1i41 h GLN 317 CO -0.25 0.68 0.57 -0.91 -0.67 0.00 0.00 178.83 178.25 1i41 h ASN 318 N 0.88 0.80 0.00 1.46 2.35 0.33 -1.72 115.58 119.69 1i41 h ASN 318 Ca 0.23 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1i41 h ASN 318 Cb 0.04 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1i41 h ASN 318 CO -0.04 0.40 0.00 -1.20 -1.65 0.00 0.00 177.43 174.94 1i41 n SER 319 N -4.70 0.00 -0.22 5.81 7.64 -0.82 -2.70 113.62 118.63 1i41 n SER 319 Ca 0.19 0.45 -0.01 0.00 1.01 0.00 0.00 58.87 60.51 1i41 n SER 319 Cb 0.40 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.41 1i41 n SER 319 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i41 n THR 320 N -1.11 -0.30 0.01 0.44 -1.04 -0.74 -0.18 114.28 111.36 1i41 n THR 320 Ca 0.00 1.33 -0.03 0.00 -2.04 0.00 0.00 64.05 63.31 1i41 n THR 320 Cb 0.00 -1.75 -0.02 0.00 -1.82 0.00 0.00 70.33 66.74 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 0.75 -0.57 -0.38 2.41 0.00 -1.43 0.50 119.26 120.55 1i41 h ALA 321 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1i41 h ALA 321 Cb 0.33 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1i41 h ALA 321 CO -0.56 -0.60 -0.42 1.25 0.00 0.00 0.00 179.25 178.92 1i41 h LEU 322 N -0.12 -1.42 -0.42 0.00 5.85 -0.35 0.72 115.31 119.56 1i41 h LEU 322 Ca 0.00 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1i41 h LEU 322 Cb 0.14 0.59 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 1i41 h LEU 322 CO -0.07 -0.28 0.01 0.03 -0.34 0.00 0.00 178.44 177.79 1i41 h ARG 323 N -0.24 0.12 -0.76 1.25 3.08 -1.03 -0.29 114.38 116.50 1i41 h ARG 323 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1i41 h ARG 323 Cb 0.42 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1i41 h ARG 323 CO -0.48 0.08 0.45 0.52 -1.07 0.00 0.00 179.97 179.46 1i41 h MET 324 N 0.12 1.03 0.22 0.04 2.86 0.79 -2.42 114.93 117.58 1i41 h MET 324 Ca 0.21 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1i41 h MET 324 Cb 0.30 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1i41 h MET 324 CO -0.34 0.73 -0.31 0.00 1.06 0.00 0.00 176.91 178.05 1i41 h ALA 325 N 1.44 -0.94 -0.44 6.32 0.00 0.22 -0.52 119.26 125.34 1i41 h ALA 325 Ca 0.27 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1i41 h ALA 325 Cb -0.03 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 1i41 h ALA 325 CO -0.05 -0.98 -0.28 0.93 0.00 0.00 0.00 179.25 178.87 1i41 h GLU 326 N -0.56 -0.18 -1.01 0.00 5.08 -1.22 0.42 114.58 117.12 1i41 h GLU 326 Ca -0.03 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.59 1i41 h GLU 326 Cb 0.51 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1i41 h GLU 326 CO -0.09 -0.12 0.64 0.82 -1.00 0.00 0.00 179.01 179.26 1i41 h ILE 327 N -0.19 0.58 0.03 3.13 2.04 -1.22 -0.39 117.51 121.49 1i41 h ILE 327 Ca 0.20 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1i41 h ILE 327 Cb 0.51 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1i41 h ILE 327 CO -0.55 0.09 -0.01 -0.07 0.00 0.00 0.00 178.15 177.60 1i41 h LEU 328 N 0.47 -0.03 -0.90 1.44 3.38 0.14 -2.43 115.31 117.38 1i41 h LEU 328 Ca 0.57 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1i41 h LEU 328 Cb 1.33 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.99 1i41 h LEU 328 CO -0.30 0.55 0.48 -0.08 0.09 0.00 0.00 178.44 179.18 1i41 h GLU 329 N -0.62 0.64 0.00 1.13 4.81 0.79 0.19 114.58 121.51 1i41 h GLU 329 Ca -0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1i41 h GLU 329 Cb 0.58 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1i41 h GLU 329 CO 0.01 0.42 -0.49 0.00 -0.73 0.00 0.00 179.01 178.21 1i41 h ALA 330 N 1.59 1.13 -2.72 2.92 0.00 -1.17 -3.45 119.26 117.56 1i41 h ALA 330 Ca 0.50 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 54.40 1i41 h ALA 330 Cb 0.74 -0.08 0.12 0.00 0.00 0.00 0.00 17.79 18.57 1i41 h ALA 330 CO -0.38 0.62 0.50 1.58 0.00 0.00 0.00 179.25 181.57 1i41 n HIS 331 N -3.87 2.17 -0.12 0.00 -0.00 0.05 -4.92 115.22 108.53 1i41 n HIS 331 Ca -0.01 0.50 -0.13 0.00 -0.00 0.00 0.00 57.72 58.07 1i41 n HIS 331 Cb 0.52 -2.38 -0.02 0.00 -0.00 0.00 0.00 29.99 28.11 1i41 n HIS 331 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1i41 h PRO 332 N 2.11 0.94 0.00 1.57 0.13 -1.87 -3.12 132.00 131.76 1i41 h PRO 332 Ca -0.48 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1i41 h PRO 332 Cb 1.29 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1i41 h PRO 332 CO 0.60 1.14 0.00 1.63 -0.23 0.00 0.00 178.00 181.14 1i41 n LYS 333 N -4.08 0.22 -3.18 0.86 5.02 -1.26 -4.54 118.16 111.20 1i41 n LYS 333 Ca -0.02 0.08 -0.45 0.00 -2.02 0.00 0.00 58.31 55.90 1i41 n LYS 333 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1i41 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i41 s VAL 334 N -2.72 4.98 0.15 -0.18 1.01 -1.18 -0.69 120.40 121.77 1i41 s VAL 334 Ca 0.18 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 1i41 s VAL 334 Cb 0.15 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1i41 s VAL 334 CO 0.38 -1.06 1.75 -0.09 0.00 0.00 0.00 175.10 176.08 1i41 h ARG 335 N 9.02 0.24 -3.29 2.72 2.43 -1.61 -3.46 114.38 120.43 1i41 h ARG 335 Ca -0.26 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 1i41 h ARG 335 Cb 1.09 -0.05 -0.17 0.00 -0.42 0.00 0.00 29.97 30.42 1i41 h ARG 335 CO 1.07 0.16 -0.23 -1.58 -1.51 0.00 0.00 179.97 177.87 1i41 s HIS 336 N -6.17 -0.12 -0.04 2.20 2.46 -1.05 -4.97 115.29 107.61 1i41 s HIS 336 Ca -0.13 -0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.38 1i41 s HIS 336 Cb 0.11 0.11 0.03 0.00 -0.13 0.00 0.00 32.58 32.70 1i41 s HIS 336 CO 0.70 -0.52 0.00 0.08 -2.47 0.00 0.00 174.74 172.54 1i41 s VAL 337 N -2.60 0.19 -0.20 0.89 1.01 -1.26 -0.92 120.40 117.50 1i41 s VAL 337 Ca -0.05 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 1i41 s VAL 337 Cb -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1i41 s VAL 337 CO -0.04 0.16 0.04 -0.31 0.00 0.00 0.00 175.10 174.96 1i41 s TYR 338 N 1.20 3.13 -0.30 5.22 1.51 0.10 -4.85 117.35 123.37 1i41 s TYR 338 Ca -0.07 -0.21 -0.17 0.00 -1.01 0.00 0.00 57.07 55.61 1i41 s TYR 338 Cb -0.13 -2.12 0.19 0.00 -0.11 0.00 0.00 41.96 39.79 1i41 s TYR 338 CO -0.02 -0.10 1.19 -0.47 -1.11 0.00 0.00 175.55 175.05 1i41 s TYR 339 N 0.88 -0.23 0.52 2.71 5.04 -1.26 -2.96 117.35 122.05 1i41 s TYR 339 Ca 0.03 0.42 0.25 0.00 -2.44 0.00 0.00 57.07 55.33 1i41 s TYR 339 Cb -0.14 0.14 1.38 0.00 0.35 0.00 0.00 41.96 43.69 1i41 s TYR 339 CO 0.02 -0.11 1.98 -1.35 -1.34 0.00 0.00 175.55 174.75 1i41 h PRO 340 N 6.36 0.03 -0.29 4.97 0.11 -1.86 -1.58 132.00 139.74 1i41 h PRO 340 Ca -0.20 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 1i41 h PRO 340 Cb 1.14 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1i41 h PRO 340 CO 0.14 0.02 -0.03 0.78 -0.21 0.00 0.00 178.00 178.70 1i41 h GLY 341 N 0.03 0.48 -1.81 -0.55 0.00 -1.93 -3.42 103.07 95.86 1i41 h GLY 341 Ca 0.27 -0.28 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1i41 h GLY 341 CO -0.01 0.26 0.39 1.08 0.00 0.00 0.00 176.54 178.26 1i41 s LEU 342 N -8.99 3.53 0.43 3.11 1.43 -0.59 -4.94 118.68 112.65 1i41 s LEU 342 Ca -0.07 1.96 0.27 0.00 -1.03 0.00 0.00 54.13 55.25 1i41 s LEU 342 Cb 0.16 -4.55 0.75 0.00 0.03 0.00 0.00 46.19 42.58 1i41 s LEU 342 CO 0.75 -1.32 1.75 1.56 0.23 0.00 0.00 176.35 179.32 1i41 h GLN 343 N 0.51 0.00 0.00 1.70 4.20 -1.86 -3.01 115.11 116.65 1i41 h GLN 343 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1i41 h GLN 343 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1i41 h GLN 343 CO 0.56 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 179.38 1i41 h SER 344 N 0.00 0.00 -2.96 1.46 4.64 -1.92 -3.45 113.55 111.32 1i41 h SER 344 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1i41 h SER 344 Cb 0.77 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1i41 h SER 344 CO 0.00 0.00 0.77 -2.28 -0.87 0.00 0.00 176.83 174.45 1i41 s HIS 345 N -3.27 3.07 0.31 4.77 5.04 -1.14 -4.93 115.29 119.14 1i41 s HIS 345 Ca 0.07 0.88 0.06 0.00 -1.54 0.00 0.00 55.06 54.52 1i41 s HIS 345 Cb 0.09 -3.69 0.83 0.00 0.04 0.00 0.00 32.58 29.85 1i41 s HIS 345 CO 0.56 -2.48 1.63 -1.35 -2.34 0.00 0.00 174.74 170.76 1i41 h PRO 346 N 7.22 0.17 -0.48 2.88 0.11 -1.91 -1.56 132.00 138.43 1i41 h PRO 346 Ca -0.41 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.47 1i41 h PRO 346 Cb 1.20 -0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 1i41 h PRO 346 CO 0.88 0.11 0.08 -0.85 -0.21 0.00 0.00 178.00 178.02 1i41 n GLU 347 N -5.25 2.15 -0.21 1.05 0.00 -1.26 -4.70 120.64 112.42 1i41 n GLU 347 Ca 0.25 -3.11 0.14 0.00 0.00 0.00 0.00 57.16 54.44 1i41 n GLU 347 Cb 0.79 -1.91 0.45 0.00 0.00 0.00 0.00 31.44 30.78 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 1.19 0.63 -0.17 -1.84 2.76 -1.53 0.25 115.15 116.44 1i41 h HIS 348 Ca 0.28 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.38 1i41 h HIS 348 Cb 1.90 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.65 1i41 h HIS 348 CO 1.09 0.23 -0.26 1.12 -1.30 0.00 0.00 177.93 178.82 1i41 h HIS 349 N 0.53 0.35 0.03 5.26 2.07 -1.84 0.16 115.15 121.71 1i41 h HIS 349 Ca 0.41 -0.07 -0.00 0.00 -2.85 0.00 0.00 60.37 57.86 1i41 h HIS 349 Cb 0.82 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.71 1i41 h HIS 349 CO -0.00 0.55 -0.01 0.82 -3.07 0.00 0.00 177.93 176.22 1i41 h ILE 350 N 0.28 1.43 -0.66 6.12 2.04 -1.02 -2.64 117.51 123.06 1i41 h ILE 350 Ca 0.04 -1.68 0.14 0.00 1.00 0.00 0.00 64.86 64.36 1i41 h ILE 350 Cb 0.61 2.51 -0.11 0.00 -0.74 0.00 0.00 36.82 39.09 1i41 h ILE 350 CO 0.04 0.41 -0.01 0.00 0.00 0.00 0.00 178.15 178.60 1i41 h ALA 351 N 0.08 0.64 0.00 1.87 0.00 -0.53 0.66 119.26 121.98 1i41 h ALA 351 Ca -0.00 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1i41 h ALA 351 Cb 0.71 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1i41 h ALA 351 CO 0.01 -0.40 -0.11 -0.22 0.00 0.00 0.00 179.25 178.53 1i41 h LYS 352 N 0.11 0.00 0.04 0.00 3.64 -0.73 0.14 116.57 119.78 1i41 h LYS 352 Ca 0.35 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.43 1i41 h LYS 352 Cb 0.57 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1i41 h LYS 352 CO -0.57 0.11 -1.63 -0.22 -2.27 0.00 0.00 179.45 174.86 1i41 h LYS 353 N 0.00 0.09 0.00 1.90 3.64 0.60 -3.40 116.57 119.40 1i41 h LYS 353 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1i41 h LYS 353 Cb 0.25 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1i41 h LYS 353 CO 0.01 0.79 -0.50 0.00 -2.27 0.00 0.00 179.45 177.48 1i41 n GLN 354 N -3.23 3.69 -3.97 1.90 10.64 0.14 -5.03 117.38 121.52 1i41 n GLN 354 Ca -0.17 -0.01 -0.23 0.00 -1.83 0.00 0.00 57.00 54.76 1i41 n GLN 354 Cb 1.04 -0.96 -0.06 0.00 -0.86 0.00 0.00 30.24 29.40 1i41 n GLN 354 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1i41 s MET 355 N -1.93 2.38 0.00 2.61 -1.94 0.03 -4.59 119.30 115.87 1i41 s MET 355 Ca 0.03 -1.62 0.00 0.00 -1.71 0.00 0.00 55.69 52.39 1i41 s MET 355 Cb 0.07 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1i41 s MET 355 CO 0.39 -0.03 0.00 0.25 -0.01 0.00 0.00 175.02 175.62 1i41 n THR 356 N -1.28 0.00 -3.95 2.05 -2.24 -0.66 -4.75 114.28 103.44 1i41 n THR 356 Ca -0.01 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 1i41 n THR 356 Cb 0.62 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 1i41 n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i41 n GLY 357 N 1.45 2.66 1.61 3.38 0.00 -1.26 -5.05 105.19 107.98 1i41 n GLY 357 Ca 0.00 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.45 1i41 n GLY 357 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i41 n PHE 358 N -0.38 0.28 -1.54 1.61 3.72 -1.26 -4.98 117.46 114.91 1i41 n PHE 358 Ca 0.01 -0.94 0.08 0.00 -0.05 0.00 0.00 57.45 56.55 1i41 n PHE 358 Cb 0.38 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 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 0.08 -1.96 0.03 1.37 0.00 -1.26 -4.62 105.19 98.81 1i41 n GLY 359 Ca 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1i41 n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 360 N -2.06 1.45 3.76 -0.02 0.00 -1.26 -4.11 105.19 102.95 1i41 n GLY 360 Ca 0.00 -0.02 -0.38 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 -0.67 3.58 -0.03 4.61 0.00 -1.26 -1.46 121.76 126.53 1i41 s ALA 361 Ca 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1i41 s ALA 361 Cb 0.01 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.67 1i41 s ALA 361 CO 0.01 0.19 0.03 0.08 0.00 0.00 0.00 175.76 176.07 1i41 s VAL 362 N -0.01 0.02 0.09 0.00 1.01 0.66 -4.94 120.40 117.23 1i41 s VAL 362 Ca 0.23 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.49 1i41 s VAL 362 Cb -0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1i41 s VAL 362 CO 0.10 0.15 0.05 -0.44 0.00 0.00 0.00 175.10 174.95 1i41 s SER 363 N 1.50 5.29 -0.22 3.32 0.01 -1.16 0.28 113.70 122.73 1i41 s SER 363 Ca -0.03 -0.10 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 1i41 s SER 363 Cb -0.13 -1.35 0.10 0.00 0.21 0.00 0.00 66.02 64.86 1i41 s SER 363 CO -0.03 0.17 0.90 0.72 0.41 0.00 0.00 173.24 175.41 1i41 s PHE 364 N -1.38 -0.56 0.00 2.43 -0.71 0.53 0.03 117.98 118.32 1i41 s PHE 364 Ca 0.28 1.25 -0.18 0.00 -1.04 0.00 0.00 56.93 57.24 1i41 s PHE 364 Cb -0.12 0.36 -0.06 0.00 -1.21 0.00 0.00 43.02 42.00 1i41 s PHE 364 CO 0.20 -0.34 0.49 -1.21 -1.34 0.00 0.00 175.22 173.03 1i41 s GLU 365 N -0.18 4.13 -0.08 1.99 2.02 -0.10 -0.10 118.70 126.38 1i41 s GLU 365 Ca -0.00 0.56 -0.07 0.00 0.02 0.00 0.00 54.97 55.48 1i41 s GLU 365 Cb -0.03 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1i41 s GLU 365 CO -0.01 0.54 0.18 0.08 0.02 0.00 0.00 175.26 176.08 1i41 s VAL 366 N -0.69 5.44 -1.06 2.63 1.01 -1.24 -1.87 120.40 124.63 1i41 s VAL 366 Ca 0.27 0.17 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 1i41 s VAL 366 Cb -0.18 -3.47 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 1i41 s VAL 366 CO 0.15 0.53 1.94 -0.67 0.00 0.00 0.00 175.10 177.04 1i41 n ASP 367 N 1.66 2.73 0.00 3.32 2.03 0.14 -4.67 116.55 121.76 1i41 n ASP 367 Ca -0.17 -2.67 0.00 0.00 0.52 0.00 0.00 54.79 52.47 1i41 n ASP 367 Cb 0.54 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1i41 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i41 n GLY 368 N 5.55 1.50 0.45 0.27 0.00 -1.26 -5.01 105.19 106.68 1i41 n GLY 368 Ca 0.45 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 1.38 0.00 1.61 5.75 -1.26 -4.77 116.55 119.26 1i41 n ASP 369 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1i41 n ASP 369 Cb 0.00 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.30 -2.12 -0.00 -1.26 0.70 117.00 114.02 1i41 n LEU 370 Ca -0.01 0.82 0.21 0.00 -0.00 0.00 0.00 56.01 57.03 1i41 n LEU 370 Cb 0.08 -0.32 0.50 0.00 -0.00 0.00 0.00 43.42 43.67 1i41 n LEU 370 CO 0.04 -0.32 1.22 -0.07 -0.00 0.00 0.00 177.39 178.26 1i41 h LEU 371 N 0.00 0.46 0.29 -1.96 -0.00 -1.98 0.68 115.31 112.80 1i41 h LEU 371 Ca 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1i41 h LEU 371 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1i41 h LEU 371 CO 0.00 0.13 -0.14 0.74 -0.00 0.00 0.00 178.44 179.17 1i41 h THR 372 N 0.43 0.66 -0.50 0.22 2.02 -1.71 -1.06 112.91 112.98 1i41 h THR 372 Ca 0.55 -0.75 0.10 0.00 0.77 0.00 0.00 66.41 67.07 1i41 h THR 372 Cb 1.35 1.01 -0.08 0.00 -1.74 0.00 0.00 68.15 68.69 1i41 h THR 372 CO -0.25 0.13 0.00 0.74 0.37 0.00 0.00 175.52 176.51 1i41 h THR 373 N -0.84 0.62 -0.09 3.16 2.02 0.11 -0.90 112.91 116.98 1i41 h THR 373 Ca -0.04 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.14 1i41 h THR 373 Cb 0.52 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1i41 h THR 373 CO 0.06 0.02 -0.32 0.00 0.37 0.00 0.00 175.52 175.66 1i41 h ALA 374 N 1.44 -0.39 -1.08 6.16 0.00 -0.86 0.15 119.26 124.67 1i41 h ALA 374 Ca 0.25 0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.51 1i41 h ALA 374 Cb 0.37 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 1i41 h ALA 374 CO -0.41 -0.80 0.66 -0.22 0.00 0.00 0.00 179.25 178.48 1i41 h LYS 375 N -0.41 0.28 0.32 0.00 3.64 0.18 -0.02 116.57 120.56 1i41 h LYS 375 Ca 0.09 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1i41 h LYS 375 Cb 0.54 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1i41 h LYS 375 CO -0.33 0.19 -0.16 0.35 -2.27 0.00 0.00 179.45 177.24 1i41 h PHE 376 N 0.29 -0.40 -1.00 1.91 3.57 0.05 -2.53 116.94 118.83 1i41 h PHE 376 Ca 0.72 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 62.44 1i41 h PHE 376 Cb 1.83 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 40.61 1i41 h PHE 376 CO -0.01 -0.25 0.63 -0.39 -2.23 0.00 0.00 178.31 176.06 1i41 h VAL 377 N -0.43 0.62 0.00 1.41 -1.51 -0.86 0.33 116.25 115.81 1i41 h VAL 377 Ca -0.04 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.22 1i41 h VAL 377 Cb 0.33 0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 29.52 1i41 h VAL 377 CO 0.07 0.10 -0.11 0.44 -1.23 0.00 0.00 177.57 176.84 1i41 h ASP 378 N 0.54 0.00 -0.12 4.19 5.19 -0.96 -2.44 116.42 122.82 1i41 h ASP 378 Ca 0.57 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.78 1i41 h ASP 378 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1i41 h ASP 378 CO -0.32 0.11 -0.65 0.00 -3.12 0.00 0.00 179.24 175.26 1i41 h ALA 379 N 1.89 0.46 -2.11 3.45 0.00 0.10 -3.45 119.26 119.60 1i41 h ALA 379 Ca -0.00 -0.56 -0.60 0.00 0.00 0.00 0.00 54.91 53.75 1i41 h ALA 379 Cb 0.22 -0.05 0.15 0.00 0.00 0.00 0.00 17.79 18.11 1i41 h ALA 379 CO 0.01 0.69 -0.36 1.28 0.00 0.00 0.00 179.25 180.88 1i41 n LEU 380 N -3.95 0.25 -0.00 0.00 4.77 -0.92 -4.91 117.00 112.24 1i41 n LEU 380 Ca -0.05 0.90 0.01 0.00 -0.03 0.00 0.00 56.01 56.84 1i41 n LEU 380 Cb 0.68 -1.14 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1i41 n LEU 380 CO 0.51 -2.80 -0.45 0.29 -1.33 0.00 0.00 177.39 173.61 1i41 n LYS 381 N 0.50 0.94 -0.09 3.23 4.76 -1.26 -4.86 118.16 121.37 1i41 n LYS 381 Ca 0.11 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 1i41 n LYS 381 Cb 0.40 -0.97 -0.05 0.00 -1.84 0.00 0.00 35.03 32.57 1i41 n LYS 381 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1i41 n ILE 382 N -1.48 1.48 -1.94 -0.18 5.41 -1.26 -4.96 119.36 116.42 1i41 n ILE 382 Ca -0.00 0.07 -0.36 0.00 1.00 0.00 0.00 62.75 63.46 1i41 n ILE 382 Cb 0.03 -2.24 0.04 0.00 -0.71 0.00 0.00 39.64 36.76 1i41 n ILE 382 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1i41 s PRO 383 N -2.47 2.88 0.27 0.38 0.04 -1.26 -4.78 135.00 130.06 1i41 s PRO 383 Ca -0.25 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1i41 s PRO 383 Cb 0.05 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 1i41 s PRO 383 CO 0.39 -1.27 0.56 0.71 0.04 0.00 0.00 177.00 177.42 1i41 s TYR 384 N -1.65 3.46 -0.49 0.56 2.02 0.07 -4.82 117.35 116.50 1i41 s TYR 384 Ca 0.77 0.74 -0.18 0.00 -0.37 0.00 0.00 57.07 58.03 1i41 s TYR 384 Cb -0.30 -2.17 0.07 0.00 -0.40 0.00 0.00 41.96 39.15 1i41 s TYR 384 CO 0.35 0.19 0.53 0.42 -1.57 0.00 0.00 175.55 175.47 1i41 s ILE 385 N -2.01 5.03 0.01 2.71 1.01 -1.26 -0.60 121.20 126.09 1i41 s ILE 385 Ca 0.45 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 1i41 s ILE 385 Cb -0.11 -4.23 0.11 0.00 0.01 0.00 0.00 42.46 38.24 1i41 s ILE 385 CO 0.27 -0.72 1.24 0.00 0.00 0.00 0.00 174.94 175.74 1i41 s ALA 386 N 2.21 -2.18 1.00 9.38 0.00 -0.90 -4.98 121.76 126.29 1i41 s ALA 386 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1i41 s ALA 386 Cb -0.22 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1i41 s ALA 386 CO 0.09 -1.07 0.00 -2.30 0.00 0.00 0.00 175.76 172.49 1i41 n PRO 387 N -0.55 0.56 -1.37 0.00 -0.02 -1.26 -4.45 135.00 127.92 1i41 n PRO 387 Ca -0.07 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.60 1i41 n PRO 387 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.05 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 -0.78 -8.19 0.00 2.55 2.88 -1.26 -4.95 113.62 103.87 1i41 n SER 388 Ca 0.00 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1i41 n SER 388 Cb 0.00 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 1i41 n SER 388 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1i41 n PHE 389 N -4.13 0.00 -0.12 0.66 1.16 -1.26 -4.93 117.46 108.84 1i41 n PHE 389 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.57 1i41 n PHE 389 Cb 0.63 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.50 1i41 n PHE 389 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1i41 n GLY 390 N -0.01 0.71 3.97 4.97 0.00 -1.26 -4.21 105.19 109.35 1i41 n GLY 390 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.46 1.34 0.44 -0.02 0.00 -1.26 -4.14 107.32 102.23 1i41 s GLY 391 Ca 0.00 -1.31 0.24 0.00 0.00 0.00 0.00 44.72 43.65 1i41 s GLY 391 CO 0.00 -1.30 1.77 0.00 0.00 0.00 0.00 173.10 173.57 1i41 s GLU 393 N -5.34 4.86 0.14 0.00 8.01 -1.26 -0.56 118.70 124.54 1i41 s GLU 393 Ca -0.08 1.49 -0.27 0.00 0.01 0.00 0.00 54.97 56.13 1i41 s GLU 393 Cb 0.25 -3.28 -0.07 0.00 -4.31 0.00 0.00 34.13 26.72 1i41 s GLU 393 CO 0.80 0.52 0.82 -1.12 0.01 0.00 0.00 175.26 176.29 1i41 s SER 394 N -1.17 7.40 0.04 -0.19 0.01 -1.26 -4.35 113.70 114.17 1i41 s SER 394 Ca 0.41 1.66 0.04 0.00 1.31 0.00 0.00 55.95 59.37 1i41 s SER 394 Cb -0.26 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 1i41 s SER 394 CO 0.32 0.11 -0.13 -0.63 0.41 0.00 0.00 173.24 173.32 1i41 s ILE 395 N -0.70 1.02 0.08 1.44 1.01 -0.60 -0.75 121.20 122.71 1i41 s ILE 395 Ca 0.39 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1i41 s ILE 395 Cb -0.23 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1i41 s ILE 395 CO 0.27 -0.05 -0.08 0.68 0.00 0.00 0.00 174.94 175.76 1i41 s VAL 396 N -0.90 0.76 -0.03 2.92 -7.23 0.23 -0.35 120.40 115.79 1i41 s VAL 396 Ca 0.00 -1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 1i41 s VAL 396 Cb -0.08 -1.24 0.10 0.00 0.56 0.00 0.00 36.38 35.73 1i41 s VAL 396 CO 0.01 -0.60 0.89 1.51 -0.31 0.00 0.00 175.10 176.61 1i41 s ASP 397 N -2.36 -0.38 -0.91 4.85 -4.77 -1.11 -2.12 116.67 109.85 1i41 s ASP 397 Ca 0.03 0.11 -0.02 0.00 -3.30 0.00 0.00 52.55 49.37 1i41 s ASP 397 Cb -0.03 0.38 0.23 0.00 -1.09 0.00 0.00 42.92 42.41 1i41 s ASP 397 CO -0.01 -0.57 0.84 1.67 0.70 0.00 0.00 175.17 177.79 1i41 n GLN 398 N -0.01 2.77 -0.07 2.11 7.27 -1.26 -2.01 117.38 126.18 1i41 n GLN 398 Ca -0.10 -4.49 0.03 0.00 0.07 0.00 0.00 57.00 52.52 1i41 n GLN 398 Cb 0.61 -2.42 0.06 0.00 2.41 0.00 0.00 30.24 30.90 1i41 n GLN 398 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1i41 n PRO 399 N 2.22 -0.02 -0.19 3.69 -0.02 -1.26 0.20 135.00 139.61 1i41 n PRO 399 Ca 0.22 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 1i41 n PRO 399 Cb 0.37 -0.49 0.06 0.00 -0.02 0.00 0.00 33.50 33.43 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 0.41 0.43 0.00 3.55 0.00 -1.85 0.73 119.26 122.53 1i41 h ALA 400 Ca 0.13 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 1i41 h ALA 400 Cb 0.27 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1i41 h ALA 400 CO -0.19 -0.43 -0.77 0.82 0.00 0.00 0.00 179.25 178.69 1i41 h ILE 401 N 0.02 0.70 -0.92 0.00 2.04 0.19 0.14 117.51 119.68 1i41 h ILE 401 Ca 0.29 -1.77 0.26 0.00 1.00 0.00 0.00 64.86 64.64 1i41 h ILE 401 Cb 0.45 1.56 -0.15 0.00 -0.74 0.00 0.00 36.82 37.94 1i41 h ILE 401 CO -0.58 0.24 0.32 -0.03 0.00 0.00 0.00 178.15 178.09 1i41 h MET 402 N -1.00 0.22 0.00 2.37 4.05 -0.93 -3.17 114.93 116.46 1i41 h MET 402 Ca -0.17 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.19 1i41 h MET 402 Cb 0.93 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.59 1i41 h MET 402 CO -0.11 0.15 -0.54 0.43 0.23 0.00 0.00 176.91 177.07 1i41 n SER 403 N -5.19 0.17 0.00 1.39 7.64 0.20 -4.87 113.62 112.95 1i41 n SER 403 Ca 0.24 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.24 1i41 n SER 403 Cb 0.77 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.10 0.00 0.22 1.43 4.02 -0.89 -4.87 117.16 117.17 1i41 n TYR 404 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1i41 n TYR 404 Cb 0.77 0.03 0.56 0.00 -0.02 0.00 0.00 39.34 40.68 1i41 n TYR 404 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1i41 n TRP 405 N 0.00 0.75 1.13 -0.72 -0.00 0.46 -1.24 117.44 117.82 1i41 n TRP 405 Ca 0.00 0.37 0.12 0.00 -0.00 0.00 0.00 57.50 57.98 1i41 n TRP 405 Cb 0.38 -1.09 0.61 0.00 -0.00 0.00 0.00 31.31 31.21 1i41 n TRP 405 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1i41 n ASP 406 N -2.25 0.00 -4.82 5.87 5.75 -1.26 -4.81 116.55 115.02 1i41 n ASP 406 Ca -0.01 -0.02 -0.22 0.00 -0.01 0.00 0.00 54.79 54.54 1i41 n ASP 406 Cb 0.08 -0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 39.83 1i41 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i41 s LEU 407 N -2.60 3.36 0.45 -2.12 1.43 -0.38 -5.12 118.68 113.69 1i41 s LEU 407 Ca 0.22 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 1i41 s LEU 407 Cb 0.16 -1.92 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 1i41 s LEU 407 CO 0.38 -0.53 0.84 -0.94 0.23 0.00 0.00 176.35 176.33 1i41 s SER 408 N -4.02 6.52 0.38 2.29 1.04 -1.26 -4.84 113.70 113.81 1i41 s SER 408 Ca 0.44 1.25 0.18 0.00 0.48 0.00 0.00 55.95 58.29 1i41 s SER 408 Cb -0.02 -2.37 1.09 0.00 0.10 0.00 0.00 66.02 64.82 1i41 s SER 408 CO 0.26 -0.48 1.74 -0.61 0.98 0.00 0.00 173.24 175.13 1i41 h GLN 409 N 1.02 0.38 0.08 4.02 5.75 -1.97 0.47 115.11 124.86 1i41 h GLN 409 Ca -0.47 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1i41 h GLN 409 Cb 1.19 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1i41 h GLN 409 CO 0.63 0.25 -0.04 0.66 -2.65 0.00 0.00 178.83 177.68 1i41 h SER 410 N 0.39 -0.09 0.06 -0.69 4.64 -1.99 -2.83 113.55 113.04 1i41 h SER 410 Ca 0.64 -0.52 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1i41 h SER 410 Cb 1.57 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1i41 h SER 410 CO -0.36 0.56 -0.01 0.44 -0.87 0.00 0.00 176.83 176.59 1i41 h ASP 411 N -0.83 0.00 0.30 4.97 3.32 -1.60 -2.16 116.42 120.43 1i41 h ASP 411 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1i41 h ASP 411 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1i41 h ASP 411 CO 0.02 0.01 -0.15 0.03 -1.72 0.00 0.00 179.24 177.44 1i41 h ARG 412 N 0.00 -0.39 0.00 3.56 3.08 -0.11 -2.94 114.38 117.57 1i41 h ARG 412 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1i41 h ARG 412 Cb 0.05 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1i41 h ARG 412 CO 0.00 -0.06 0.18 0.00 -1.07 0.00 0.00 179.97 179.02 1i41 h ALA 413 N -0.51 1.17 0.00 0.04 0.00 -1.17 -0.91 119.26 117.87 1i41 h ALA 413 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i41 h ALA 413 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1i41 h ALA 413 CO 0.07 -0.17 0.35 -0.22 0.00 0.00 0.00 179.25 179.28 1i41 h LYS 414 N 0.00 0.00 -1.26 0.00 3.64 -1.21 -2.43 116.57 115.31 1i41 h LYS 414 Ca 0.00 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.96 1i41 h LYS 414 Cb 0.35 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.77 1i41 h LYS 414 CO 0.00 0.00 -1.12 0.66 -2.27 0.00 0.00 179.45 176.72 1i41 n TYR 415 N -2.84 1.42 0.00 1.91 4.01 -0.35 -4.98 117.16 116.34 1i41 n TYR 415 Ca -0.02 -3.02 0.00 0.00 -0.16 0.00 0.00 57.90 54.70 1i41 n TYR 415 Cb 0.39 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 -0.08 0.21 3.55 2.72 0.00 -0.92 -4.87 105.19 105.81 1i41 n GLY 416 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1i41 n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i41 s ILE 417 N -0.57 3.08 0.19 -0.61 -1.09 -1.24 -4.93 121.20 116.03 1i41 s ILE 417 Ca 0.00 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.44 1i41 s ILE 417 Cb 0.00 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1i41 s ILE 417 CO 0.00 -0.20 0.39 -0.04 -1.23 0.00 0.00 174.94 173.85 1i41 s MET 418 N 8.09 3.53 0.41 2.79 -1.94 -1.26 -3.79 119.30 127.12 1i41 s MET 418 Ca 0.91 -0.31 0.29 0.00 -1.71 0.00 0.00 55.69 54.86 1i41 s MET 418 Cb -0.15 -2.84 1.31 0.00 2.01 0.00 0.00 34.83 35.16 1i41 s MET 418 CO 0.22 0.41 1.87 -0.44 -0.01 0.00 0.00 175.02 177.07 1i41 h ASP 419 N 2.10 0.00 0.06 3.03 5.19 -1.95 -2.78 116.42 122.07 1i41 h ASP 419 Ca -0.48 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.80 1i41 h ASP 419 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1i41 h ASP 419 CO 0.69 0.00 -0.65 0.78 -3.12 0.00 0.00 179.24 176.94 1i41 h ASN 420 N 0.00 0.19 -0.63 6.45 4.21 -1.86 -3.39 115.58 120.56 1i41 h ASN 420 Ca 0.00 -0.89 -0.55 0.00 1.21 0.00 0.00 56.30 56.07 1i41 h ASN 420 Cb 0.30 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1i41 h ASN 420 CO 0.00 1.28 0.37 -0.11 -1.29 0.00 0.00 177.43 177.68 1i41 n LEU 421 N -4.33 0.63 -4.10 1.61 7.94 -1.05 -3.60 117.00 114.10 1i41 n LEU 421 Ca -0.17 0.75 -0.24 0.00 -1.11 0.00 0.00 56.01 55.24 1i41 n LEU 421 Cb 0.68 -0.56 -0.16 0.00 0.53 0.00 0.00 43.42 43.91 1i41 n LEU 421 CO 0.37 -0.64 -0.48 -0.69 -1.11 0.00 0.00 177.39 174.83 1i41 s VAL 422 N 1.58 1.22 -0.31 1.96 1.01 0.86 -4.40 120.40 122.32 1i41 s VAL 422 Ca 0.65 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1i41 s VAL 422 Cb -0.92 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1i41 s VAL 422 CO 0.49 0.36 0.07 -0.60 0.00 0.00 0.00 175.10 175.42 1i41 s ARG 423 N 0.04 2.80 -0.27 2.72 3.52 -0.85 -0.35 118.95 126.55 1i41 s ARG 423 Ca -0.02 -1.05 -0.08 0.00 -0.13 0.00 0.00 55.73 54.45 1i41 s ARG 423 Cb -0.10 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1i41 s ARG 423 CO 0.01 -0.55 0.09 0.12 -0.81 0.00 0.00 175.30 174.16 1i41 s PHE 424 N 1.41 3.11 -0.54 5.12 2.19 0.14 -2.77 117.98 126.66 1i41 s PHE 424 Ca -0.00 -0.58 -0.16 0.00 0.33 0.00 0.00 56.93 56.52 1i41 s PHE 424 Cb -0.18 -2.26 0.13 0.00 -1.31 0.00 0.00 43.02 39.39 1i41 s PHE 424 CO 0.01 -0.43 0.50 0.45 1.83 0.00 0.00 175.22 177.58 1i41 s SER 425 N 1.59 6.19 0.08 6.13 0.15 0.52 -0.25 113.70 128.12 1i41 s SER 425 Ca 0.05 -1.77 -0.31 0.00 0.70 0.00 0.00 55.95 54.62 1i41 s SER 425 Cb -0.16 -2.21 -0.08 0.00 -1.71 0.00 0.00 66.02 61.86 1i41 s SER 425 CO 0.04 -0.85 1.50 -0.36 1.20 0.00 0.00 173.24 174.76 1i41 s PHE 426 N 1.60 2.88 0.00 3.44 0.08 -0.53 -1.56 117.98 123.90 1i41 s PHE 426 Ca 0.03 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.76 1i41 s PHE 426 Cb -0.30 -3.80 0.00 0.00 -0.57 0.00 0.00 43.02 38.35 1i41 s PHE 426 CO 0.03 -3.00 0.00 0.41 -0.10 0.00 0.00 175.22 172.56 1i41 n GLY 427 N 3.72 0.00 0.00 4.36 0.00 -1.26 -4.82 105.19 107.19 1i41 n GLY 427 Ca 0.14 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.69 1.61 0.31 0.27 -4.57 118.33 115.27 1i41 n VAL 428 Ca 0.00 -0.29 -0.32 0.00 -0.01 0.00 0.00 64.34 63.72 1i41 n VAL 428 Cb 0.00 1.40 0.17 0.00 -0.91 0.00 0.00 33.84 34.49 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 -0.04 -1.06 -1.76 5.55 4.71 -1.26 -4.85 120.64 121.93 1i41 n GLU 429 Ca 0.00 -0.27 -0.41 0.00 -0.01 0.00 0.00 57.16 56.47 1i41 n GLU 429 Cb 0.10 -1.95 0.01 0.00 -1.01 0.00 0.00 31.44 28.58 1i41 n GLU 429 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1i41 n ASP 430 N -2.51 3.49 0.14 1.62 2.03 -1.26 -4.87 116.55 115.18 1i41 n ASP 430 Ca 0.05 1.19 -0.13 0.00 0.52 0.00 0.00 54.79 56.42 1i41 n ASP 430 Cb 0.56 -1.60 -0.07 0.00 -0.72 0.00 0.00 41.12 39.29 1i41 n ASP 430 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1i41 h PHE 431 N 2.66 -1.10 -0.80 -0.67 3.57 -1.99 -2.22 116.94 116.39 1i41 h PHE 431 Ca -0.50 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.21 1i41 h PHE 431 Cb 1.26 0.45 -0.14 0.00 2.79 0.00 0.00 35.95 40.31 1i41 h PHE 431 CO 0.51 -0.47 0.06 -0.44 -2.23 0.00 0.00 178.31 175.75 1i41 h ASP 432 N -0.64 -0.27 -0.38 0.41 3.32 -1.98 0.18 116.42 117.06 1i41 h ASP 432 Ca -0.02 0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1i41 h ASP 432 Cb 0.60 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 1i41 h ASP 432 CO -0.15 -0.18 0.07 0.44 -1.72 0.00 0.00 179.24 177.70 1i41 h ASP 433 N 0.13 -0.01 0.42 6.45 3.32 -1.85 0.11 116.42 124.99 1i41 h ASP 433 Ca 0.46 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.55 1i41 h ASP 433 Cb 0.85 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1i41 h ASP 433 CO -0.68 0.03 -0.20 -0.07 -1.72 0.00 0.00 179.24 176.60 1i41 h LEU 434 N 0.19 -0.48 -0.23 1.55 3.38 -0.29 -2.14 115.31 117.29 1i41 h LEU 434 Ca 0.18 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1i41 h LEU 434 Cb 0.22 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1i41 h LEU 434 CO -0.25 -0.18 -0.49 0.50 0.09 0.00 0.00 178.44 178.11 1i41 h LYS 435 N -0.79 -0.46 -0.90 1.13 3.64 -0.52 0.22 116.57 118.89 1i41 h LYS 435 Ca -0.06 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.56 1i41 h LYS 435 Cb 0.54 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.35 1i41 h LYS 435 CO 0.10 -0.31 0.43 0.00 -2.27 0.00 0.00 179.45 177.40 1i41 h ALA 436 N 0.01 1.45 0.37 5.00 0.00 -0.82 0.68 119.26 125.95 1i41 h ALA 436 Ca 0.07 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1i41 h ALA 436 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1i41 h ALA 436 CO -0.48 -0.28 -0.18 0.22 0.00 0.00 0.00 179.25 178.53 1i41 h ASP 437 N 0.47 -0.42 -0.68 0.00 3.58 -0.08 0.28 116.42 119.57 1i41 h ASP 437 Ca 0.55 0.01 0.12 0.00 0.42 0.00 0.00 57.03 58.14 1i41 h ASP 437 Cb 1.00 0.11 -0.13 0.00 1.72 0.00 0.00 39.33 42.03 1i41 h ASP 437 CO -0.49 -0.30 -0.29 0.40 -2.88 0.00 0.00 179.24 175.68 1i41 h ILE 438 N -0.50 0.19 0.50 2.25 2.04 -0.02 0.10 117.51 122.07 1i41 h ILE 438 Ca -0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1i41 h ILE 438 Cb 0.38 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1i41 h ILE 438 CO 0.08 0.00 -0.30 -0.07 0.00 0.00 0.00 178.15 177.86 1i41 h LEU 439 N -0.09 -0.76 -2.02 1.44 3.38 -0.89 -1.13 115.31 115.24 1i41 h LEU 439 Ca 0.28 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.42 1i41 h LEU 439 Cb 0.55 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1i41 h LEU 439 CO -0.74 -0.48 0.41 -0.61 0.09 0.00 0.00 178.44 177.11 1i41 h GLN 440 N -0.77 0.00 0.42 1.13 -0.00 -0.21 0.41 115.11 116.09 1i41 h GLN 440 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 1i41 h GLN 440 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.11 1i41 h GLN 440 CO 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 178.83 178.69 1i41 h ALA 441 N 1.57 -0.59 -0.47 3.38 0.00 0.35 -3.09 119.26 120.39 1i41 h ALA 441 Ca 0.19 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 441 Cb 1.01 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1i41 h ALA 441 CO -0.00 -0.55 0.48 -0.07 0.00 0.00 0.00 179.25 179.10 1i41 h LEU 442 N -1.09 0.00 -1.76 0.00 4.07 -0.26 -1.21 115.31 115.06 1i41 h LEU 442 Ca -0.06 0.00 0.31 0.00 0.08 0.00 0.00 57.88 58.22 1i41 h LEU 442 Cb 0.43 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.11 1i41 h LEU 442 CO 0.09 0.00 0.78 -0.78 -1.08 0.00 0.00 178.44 177.45 1i41 h ASP 443 N 0.00 0.16 0.70 -0.43 3.58 -0.87 -1.73 116.42 117.84 1i41 h ASP 443 Ca 0.22 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1i41 h ASP 443 Cb 1.18 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1i41 h ASP 443 CO -0.00 0.02 -1.07 -1.54 -2.88 0.00 0.00 179.24 173.77 1i41 n SER 444 N -4.36 0.66 0.00 2.28 3.41 -0.45 -5.10 113.62 110.06 1i41 n SER 444 Ca 0.25 0.11 0.05 0.00 -0.26 0.00 0.00 58.87 59.02 1i41 n SER 444 Cb 1.11 0.68 0.30 0.00 -0.26 0.00 0.00 64.21 66.04 1i41 n SER 444 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50