#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i41 s ALA 51 N 0.00 3.20 0.08 2.98 0.00 -1.26 -5.01 121.76 121.76 1i41 s ALA 51 Ca 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 1i41 s ALA 51 Cb 0.00 -1.34 -0.24 0.00 0.00 0.00 0.00 23.12 21.54 1i41 s ALA 51 CO 0.00 0.61 1.16 0.66 0.00 0.00 0.00 175.76 178.20 1i41 h SER 52 N 4.78 0.60 0.00 0.00 4.64 -2.05 -3.16 113.55 118.36 1i41 h SER 52 Ca -0.49 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.25 1i41 h SER 52 Cb 1.18 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1i41 h SER 52 CO 0.55 1.42 0.00 2.22 -0.87 0.00 0.00 176.83 180.15 1i41 n PHE 53 N -3.67 0.00 -3.66 4.77 1.16 -1.26 -4.27 117.46 110.53 1i41 n PHE 53 Ca -0.10 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.18 1i41 n PHE 53 Cb 0.97 -0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.70 1i41 n PHE 53 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i41 s LEU 54 N -0.97 1.86 -0.11 5.98 1.43 -1.19 -4.98 118.68 120.69 1i41 s LEU 54 Ca 0.00 -1.82 0.16 0.00 -1.03 0.00 0.00 54.13 51.44 1i41 s LEU 54 Cb 0.00 -0.74 -0.24 0.00 0.03 0.00 0.00 46.19 45.24 1i41 s LEU 54 CO 0.00 -0.38 0.37 0.59 0.23 0.00 0.00 176.35 177.16 1i41 n ASN 55 N 4.59 0.39 -4.79 2.29 3.02 -1.26 -4.69 115.26 114.80 1i41 n ASN 55 Ca 0.01 0.18 -0.38 0.00 -0.03 0.00 0.00 54.58 54.36 1i41 n ASN 55 Cb 0.40 0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 40.10 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 -5.68 7.29 0.19 6.41 0.15 -1.26 -4.97 113.70 115.82 1i41 s SER 56 Ca -0.07 1.58 -0.12 0.00 0.70 0.00 0.00 55.95 58.04 1i41 s SER 56 Cb 0.07 -2.48 0.18 0.00 -1.71 0.00 0.00 66.02 62.09 1i41 s SER 56 CO 0.83 0.15 1.75 0.44 1.20 0.00 0.00 173.24 177.62 1i41 h ASP 57 N 4.04 0.22 -0.33 5.45 3.32 -1.99 -2.39 116.42 124.74 1i41 h ASP 57 Ca -0.47 0.06 0.07 0.00 0.02 0.00 0.00 57.03 56.71 1i41 h ASP 57 Cb 1.20 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.71 1i41 h ASP 57 CO 0.66 0.15 -0.19 1.23 -1.72 0.00 0.00 179.24 179.37 1i41 h GLY 58 N 0.39 0.04 0.42 2.75 0.00 -2.00 0.12 103.07 104.79 1i41 h GLY 58 Ca 0.25 0.24 0.11 0.00 0.00 0.00 0.00 47.33 47.93 1i41 h GLY 58 CO -0.24 -0.19 0.42 1.76 0.00 0.00 0.00 176.54 178.30 1i41 h SER 59 N -0.15 0.56 0.30 0.19 0.02 -1.86 -2.58 113.55 110.03 1i41 h SER 59 Ca 0.17 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1i41 h SER 59 Cb 0.41 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1i41 h SER 59 CO -0.42 0.30 -0.14 0.58 -1.14 0.00 0.00 176.83 176.00 1i41 h VAL 60 N 0.68 0.00 -0.61 2.27 2.07 -0.64 -1.91 116.25 118.11 1i41 h VAL 60 Ca 0.40 -0.02 0.24 0.00 0.82 0.00 0.00 66.70 68.14 1i41 h VAL 60 Cb 0.44 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.10 1i41 h VAL 60 CO -0.29 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.57 1i41 n ALA 61 N -2.21 0.56 0.02 1.67 0.00 0.26 0.21 120.51 121.02 1i41 n ALA 61 Ca -0.05 0.63 -0.01 0.00 0.00 0.00 0.00 53.44 54.01 1i41 n ALA 61 Cb 0.16 -0.59 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 1i41 n ALA 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1i41 h ILE 62 N 0.00 0.00 -0.02 0.00 2.04 -1.26 -3.38 117.51 114.90 1i41 h ILE 62 Ca 0.49 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.28 1i41 h ILE 62 Cb 1.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1i41 h ILE 62 CO -0.49 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.07 1i41 n HIS 63 N -2.33 0.01 -1.68 1.37 8.25 0.03 -4.90 115.22 115.97 1i41 n HIS 63 Ca -0.01 -0.01 -0.45 0.00 -0.26 0.00 0.00 57.72 56.99 1i41 n HIS 63 Cb 0.02 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.36 1.60 -3.65 -1.41 0.00 0.58 -1.93 120.51 115.34 1i41 n ALA 64 Ca 0.21 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.79 1i41 n ALA 64 Cb 0.23 -2.46 0.06 0.00 0.00 0.00 0.00 19.45 17.29 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 3.88 -0.45 2.13 0.00 0.00 -1.26 -4.40 105.19 105.09 1i41 n GLY 65 Ca 0.18 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.62 0.00 -0.34 1.61 1.02 -0.81 -4.81 120.64 112.69 1i41 n GLU 66 Ca -0.10 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.23 1i41 n GLU 66 Cb 0.60 0.00 0.41 0.00 -0.02 0.00 0.00 31.44 32.42 1i41 n GLU 66 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1i41 h ARG 67 N 0.00 0.44 0.16 3.49 9.65 -1.78 -2.31 114.38 124.02 1i41 h ARG 67 Ca 0.00 -0.03 -0.31 0.00 -1.10 0.00 0.00 59.98 58.54 1i41 h ARG 67 Cb 0.00 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1i41 h ARG 67 CO 0.00 0.29 -1.49 -0.07 2.80 0.00 0.00 179.97 181.50 1i41 h LEU 68 N 0.46 0.52 0.00 3.80 3.38 -1.93 -3.49 115.31 118.04 1i41 h LEU 68 Ca 0.67 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i41 h LEU 68 Cb 1.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1i41 h LEU 68 CO -0.54 1.53 0.00 0.61 0.09 0.00 0.00 178.44 180.14 1i41 n GLY 69 N 1.68 1.25 0.00 0.83 0.00 -0.87 -5.08 105.19 103.00 1i41 n GLY 69 Ca -0.16 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.24 2.13 -0.04 1.61 1.74 -1.26 -3.85 116.66 116.75 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 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i41 n GLY 71 N 2.22 0.62 2.46 -0.13 0.00 -1.26 -4.91 105.19 104.19 1i41 n GLY 71 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1i41 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i41 n ILE 72 N -2.00 0.08 -1.65 -0.61 3.06 -1.26 -5.10 119.36 111.88 1i41 n ILE 72 Ca 0.00 -4.16 -0.63 0.00 -2.50 0.00 0.00 62.75 55.46 1i41 n ILE 72 Cb 0.00 -1.91 -0.09 0.00 0.54 0.00 0.00 39.64 38.18 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 2.00 0.02 -3.63 9.51 0.31 -1.26 -4.98 118.33 120.30 1i41 n VAL 73 Ca 0.26 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.44 1i41 n VAL 73 Cb 0.45 -0.38 -0.07 0.00 -0.91 0.00 0.00 33.84 32.93 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 1.84 0.00 -0.32 2.52 -4.23 -1.26 -5.00 115.64 109.19 1i41 s THR 74 Ca 0.99 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1i41 s THR 74 Cb -1.37 -1.00 0.29 0.00 1.34 0.00 0.00 72.50 71.77 1i41 s THR 74 CO 0.70 0.00 1.28 -0.90 -0.54 0.00 0.00 174.62 175.16 1i41 n ASP 75 N 2.71 3.21 -4.89 3.99 5.75 -1.26 -4.84 116.55 121.22 1i41 n ASP 75 Ca -0.14 -2.58 -0.34 0.00 -0.01 0.00 0.00 54.79 51.72 1i41 n ASP 75 Cb 0.55 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 39.97 1i41 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i41 s ALA 76 N -1.45 3.84 0.00 2.12 0.00 -1.26 -5.03 121.76 119.98 1i41 s ALA 76 Ca 0.23 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.36 1i41 s ALA 76 Cb 0.19 -2.07 -0.14 0.00 0.00 0.00 0.00 23.12 21.10 1i41 s ALA 76 CO 0.05 0.66 1.05 0.82 0.00 0.00 0.00 175.76 178.35 1i41 h ILE 77 N 2.74 0.13 -4.34 0.00 2.04 -2.03 -3.46 117.51 112.59 1i41 h ILE 77 Ca -0.49 -0.41 -0.46 0.00 1.00 0.00 0.00 64.86 64.51 1i41 h ILE 77 Cb 1.19 0.19 0.12 0.00 -0.74 0.00 0.00 36.82 37.58 1i41 h ILE 77 CO 0.68 0.02 0.34 0.42 0.00 0.00 0.00 178.15 179.62 1i41 s THR 78 N -4.45 1.99 0.01 -0.27 -4.23 -1.26 -4.99 115.64 102.44 1i41 s THR 78 Ca -0.13 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.13 1i41 s THR 78 Cb 0.01 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1i41 s THR 78 CO 0.42 0.00 0.77 -0.89 -0.54 0.00 0.00 174.62 174.38 1i41 s THR 79 N -3.42 4.84 0.23 3.99 2.01 -1.26 -5.03 115.64 117.00 1i41 s THR 79 Ca 0.64 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.96 1i41 s THR 79 Cb -0.13 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 1i41 s THR 79 CO 0.52 0.31 1.01 -2.16 -0.69 0.00 0.00 174.62 173.61 1i41 s PRO 80 N 0.32 4.74 -0.41 4.92 0.05 -1.26 -4.99 135.00 138.37 1i41 s PRO 80 Ca 0.40 1.61 -0.27 0.00 0.05 0.00 0.00 61.00 62.79 1i41 s PRO 80 Cb -0.20 -3.26 0.02 0.00 0.05 0.00 0.00 34.50 31.11 1i41 s PRO 80 CO 0.22 0.34 0.98 0.08 0.05 0.00 0.00 177.00 178.67 1i41 s VAL 81 N -0.93 4.47 -0.42 -0.36 1.01 -1.26 -4.53 120.40 118.38 1i41 s VAL 81 Ca 0.44 1.11 -0.19 0.00 0.00 0.00 0.00 61.98 63.34 1i41 s VAL 81 Cb -0.28 -4.43 0.02 0.00 0.00 0.00 0.00 36.38 31.70 1i41 s VAL 81 CO 0.35 -0.72 0.53 -0.69 0.00 0.00 0.00 175.10 174.57 1i41 s VAL 82 N 3.77 4.97 -1.11 2.92 1.01 -1.26 -4.99 120.40 125.71 1i41 s VAL 82 Ca 0.40 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1i41 s VAL 82 Cb -0.10 -4.11 0.29 0.00 0.00 0.00 0.00 36.38 32.46 1i41 s VAL 82 CO 0.23 -0.48 1.42 0.59 0.00 0.00 0.00 175.10 176.86 1i41 n ASN 83 N 5.90 6.09 -4.25 3.32 3.02 -1.26 -4.77 115.26 123.32 1i41 n ASN 83 Ca -0.05 -3.29 -0.24 0.00 -0.03 0.00 0.00 54.58 50.98 1i41 n ASN 83 Cb 0.48 -1.32 -0.13 0.00 -0.61 0.00 0.00 39.78 38.20 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 -2.11 1.58 -0.98 3.41 -1.32 -1.26 -5.01 115.64 109.95 1i41 s THR 84 Ca 0.32 -1.32 0.22 0.00 -1.21 0.00 0.00 61.69 59.70 1i41 s THR 84 Cb 0.01 -1.41 -0.18 0.00 -1.51 0.00 0.00 72.50 69.41 1i41 s THR 84 CO 0.05 0.04 1.01 -1.54 -2.21 0.00 0.00 174.62 171.97 1i41 n SER 85 N 1.50 0.87 -3.87 8.08 3.41 -1.26 -4.72 113.62 117.63 1i41 n SER 85 Ca -0.19 -0.81 -0.08 0.00 -0.26 0.00 0.00 58.87 57.54 1i41 n SER 85 Cb 0.54 0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 65.30 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 -3.01 -1.02 0.01 7.33 0.00 -1.26 -1.98 121.76 121.82 1i41 s ALA 86 Ca 0.08 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1i41 s ALA 86 Cb 0.16 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 24.16 1i41 s ALA 86 CO 0.83 -0.99 -0.19 0.71 0.00 0.00 0.00 175.76 176.13 1i41 s TYR 87 N -3.93 1.67 0.56 0.00 1.51 0.23 -4.89 117.35 112.49 1i41 s TYR 87 Ca 0.13 -0.33 0.09 0.00 -1.01 0.00 0.00 57.07 55.94 1i41 s TYR 87 Cb -0.05 -1.05 0.07 0.00 -0.11 0.00 0.00 41.96 40.83 1i41 s TYR 87 CO 0.07 0.01 0.69 -0.59 -1.11 0.00 0.00 175.55 174.62 1i41 s PHE 88 N -0.56 1.54 0.07 2.71 -0.12 -1.26 -4.74 117.98 115.61 1i41 s PHE 88 Ca 0.07 -0.73 0.03 0.00 -0.05 0.00 0.00 56.93 56.25 1i41 s PHE 88 Cb -0.08 -2.15 -0.03 0.00 -0.63 0.00 0.00 43.02 40.13 1i41 s PHE 88 CO 0.00 -0.96 -0.09 -0.06 -0.05 0.00 0.00 175.22 174.06 1i41 s PHE 89 N -2.67 0.88 -0.14 3.49 0.40 -1.26 -5.04 117.98 113.64 1i41 s PHE 89 Ca 0.55 -0.60 0.15 0.00 -0.60 0.00 0.00 56.93 56.43 1i41 s PHE 89 Cb -0.05 -0.50 0.03 0.00 0.51 0.00 0.00 43.02 43.00 1i41 s PHE 89 CO 0.35 -0.05 1.38 -0.91 0.70 0.00 0.00 175.22 176.69 1i41 h ASN 90 N 3.99 0.00 -3.81 1.36 2.35 -2.01 -3.47 115.58 113.99 1i41 h ASN 90 Ca -0.37 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.44 1i41 h ASN 90 Cb 1.19 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.32 1i41 h ASN 90 CO 0.47 0.54 0.46 -1.59 -1.65 0.00 0.00 177.43 175.66 1i41 s LYS 91 N -2.94 0.61 0.34 0.81 -2.85 -1.26 -5.02 119.74 109.43 1i41 s LYS 91 Ca 0.03 0.38 0.13 0.00 -1.00 0.00 0.00 55.97 55.52 1i41 s LYS 91 Cb 0.08 0.29 1.09 0.00 -2.06 0.00 0.00 37.83 37.23 1i41 s LYS 91 CO 0.76 -0.14 1.61 1.15 0.10 0.00 0.00 175.35 178.82 1i41 h THR 92 N 3.09 0.12 -0.64 3.79 2.02 -2.00 0.31 112.91 119.60 1i41 h THR 92 Ca -0.24 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.00 1i41 h THR 92 Cb 1.17 -0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.46 1i41 h THR 92 CO 0.22 0.02 -0.42 -1.28 0.37 0.00 0.00 175.52 174.43 1i41 h SER 93 N 0.11 -1.46 0.23 4.18 0.87 -2.00 -0.43 113.55 115.05 1i41 h SER 93 Ca 0.74 0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 61.54 1i41 h SER 93 Cb 1.77 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 64.42 1i41 h SER 93 CO -0.74 -0.32 -0.11 -0.33 -0.53 0.00 0.00 176.83 174.80 1i41 h GLU 94 N -0.18 -0.30 -0.82 2.24 5.08 -0.81 -2.39 114.58 117.40 1i41 h GLU 94 Ca 0.21 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.77 1i41 h GLU 94 Cb 0.56 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.73 1i41 h GLU 94 CO -0.73 -0.19 -0.07 1.25 -1.00 0.00 0.00 179.01 178.26 1i41 h LEU 95 N -0.32 -0.54 0.12 1.33 5.85 -0.95 0.34 115.31 121.15 1i41 h LEU 95 Ca -0.03 0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1i41 h LEU 95 Cb 0.24 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1i41 h LEU 95 CO 0.05 -0.25 -0.27 0.40 -0.34 0.00 0.00 178.44 178.04 1i41 h ILE 96 N 0.05 0.41 -0.67 4.05 2.04 -0.79 0.03 117.51 122.62 1i41 h ILE 96 Ca 0.44 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.39 1i41 h ILE 96 Cb 0.76 0.41 -0.11 0.00 -0.74 0.00 0.00 36.82 37.13 1i41 h ILE 96 CO -0.78 0.00 -0.45 0.44 0.00 0.00 0.00 178.15 177.36 1i41 h ASP 97 N -0.48 -1.58 0.01 1.72 3.32 0.11 0.55 116.42 120.06 1i41 h ASP 97 Ca 0.03 0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.37 1i41 h ASP 97 Cb 0.51 0.72 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 1i41 h ASP 97 CO -0.16 -0.32 -0.39 0.15 -1.72 0.00 0.00 179.24 176.80 1i41 h PHE 98 N -0.18 -1.09 -0.57 4.55 3.57 -0.59 0.99 116.94 123.61 1i41 h PHE 98 Ca 0.19 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.89 1i41 h PHE 98 Cb 0.55 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1i41 h PHE 98 CO -0.77 -0.47 0.42 0.87 -2.23 0.00 0.00 178.31 176.13 1i41 h LYS 99 N -0.55 0.00 -0.70 1.11 1.79 0.85 0.40 116.57 119.47 1i41 h LYS 99 Ca 0.05 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1i41 h LYS 99 Cb 0.63 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1i41 h LYS 99 CO -0.29 0.00 0.04 0.39 -1.08 0.00 0.00 179.45 178.50 1i41 n GLU 100 N -4.31 3.94 -3.86 3.15 1.02 0.17 -4.93 120.64 115.83 1i41 n GLU 100 Ca 0.11 -2.48 -0.29 0.00 -0.02 0.00 0.00 57.16 54.48 1i41 n GLU 100 Cb 0.66 -2.10 0.04 0.00 -0.02 0.00 0.00 31.44 30.02 1i41 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i41 n LYS 101 N 0.40 -6.00 -0.00 3.49 4.01 0.14 -4.86 118.16 115.33 1i41 n LYS 101 Ca 0.24 0.64 0.04 0.00 -0.51 0.00 0.00 58.31 58.72 1i41 n LYS 101 Cb 1.03 -5.57 -0.05 0.00 -0.51 0.00 0.00 35.03 29.93 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 -4.75 2.12 -4.36 1.97 1.74 -0.14 -5.00 116.66 108.24 1i41 n ARG 102 Ca 0.04 -0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 1i41 n ARG 102 Cb 0.53 -1.05 -0.10 0.00 -1.02 0.00 0.00 32.46 30.82 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 -2.19 1.44 -0.11 5.56 3.52 -1.23 -4.89 118.95 121.04 1i41 s ARG 103 Ca -0.00 -1.76 0.02 0.00 -0.13 0.00 0.00 55.73 53.86 1i41 s ARG 103 Cb 0.06 -0.63 -0.01 0.00 -1.56 0.00 0.00 34.95 32.80 1i41 s ARG 103 CO 0.33 -0.15 -0.17 0.00 -0.81 0.00 0.00 175.30 174.50 1i41 s ALA 104 N -3.44 2.45 -0.23 6.12 0.00 -1.26 -4.54 121.76 120.87 1i41 s ALA 104 Ca 0.32 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 1i41 s ALA 104 Cb 0.07 -1.03 0.11 0.00 0.00 0.00 0.00 23.12 22.27 1i41 s ALA 104 CO 0.11 0.30 0.96 0.45 0.00 0.00 0.00 175.76 177.58 1i41 s SER 105 N 0.24 -0.48 0.46 0.00 0.15 -1.26 -5.02 113.70 107.79 1i41 s SER 105 Ca -0.12 0.79 0.26 0.00 0.70 0.00 0.00 55.95 57.58 1i41 s SER 105 Cb -0.16 0.75 0.64 0.00 -1.71 0.00 0.00 66.02 65.54 1i41 s SER 105 CO 0.06 -0.26 1.72 -0.26 1.20 0.00 0.00 173.24 175.70 1i41 h PHE 106 N 3.72 0.00 0.00 3.44 0.04 -1.94 -3.47 116.94 118.73 1i41 h PHE 106 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1i41 h PHE 106 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1i41 h PHE 106 CO 0.32 0.03 0.00 -1.91 -0.60 0.00 0.00 178.31 176.15 1i41 n GLU 107 N -3.11 0.00 -4.18 1.51 2.13 -1.26 -4.51 120.64 111.22 1i41 n GLU 107 Ca 0.03 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.59 1i41 n GLU 107 Cb 0.47 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.11 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 2.92 0.32 4.31 5.04 -1.26 -0.60 117.35 128.08 1i41 s TYR 108 Ca 0.00 -0.12 0.06 0.00 -2.44 0.00 0.00 57.07 54.57 1i41 s TYR 108 Cb 0.00 -1.39 0.55 0.00 0.35 0.00 0.00 41.96 41.47 1i41 s TYR 108 CO 0.00 0.53 1.79 0.78 -1.34 0.00 0.00 175.55 177.31 1i41 h GLY 109 N 2.42 0.39 2.00 8.97 0.00 -1.61 -2.57 103.07 112.67 1i41 h GLY 109 Ca -0.47 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1i41 h GLY 109 CO 0.60 0.27 0.00 -2.13 0.00 0.00 0.00 176.54 175.28 1i41 n ARG 110 N -4.16 0.07 -0.00 4.80 0.63 -1.26 -2.11 116.66 114.63 1i41 n ARG 110 Ca -0.00 0.44 0.08 0.00 -0.92 0.00 0.00 57.85 57.45 1i41 n ARG 110 Cb 0.36 -1.68 -0.11 0.00 0.45 0.00 0.00 32.46 31.48 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 -1.82 0.00 0.00 -0.14 4.01 -0.97 -4.73 117.16 113.51 1i41 n TYR 111 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1i41 n TYR 111 Cb 0.10 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 1.43 1.54 3.58 2.72 0.00 -0.89 -5.00 105.19 108.57 1i41 n GLY 112 Ca 0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1i41 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i41 s ASN 113 N 0.00 -0.83 0.33 1.61 3.84 -1.26 -4.43 114.94 114.19 1i41 s ASN 113 Ca 0.00 1.40 0.05 0.00 0.21 0.00 0.00 52.86 54.52 1i41 s ASN 113 Cb 0.00 1.31 0.67 0.00 -0.55 0.00 0.00 41.25 42.69 1i41 s ASN 113 CO 0.00 -0.23 1.89 1.55 -2.79 0.00 0.00 177.10 177.52 1i41 h PRO 114 N 6.47 0.83 0.00 0.43 0.13 -1.97 0.96 132.00 138.86 1i41 h PRO 114 Ca -0.30 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1i41 h PRO 114 Cb 1.21 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1i41 h PRO 114 CO 0.15 0.55 0.00 -2.37 -0.23 0.00 0.00 178.00 176.10 1i41 n THR 115 N -4.54 0.27 -0.13 1.56 5.66 -1.26 -3.64 114.28 112.20 1i41 n THR 115 Ca 0.16 0.03 -0.27 0.00 -3.05 0.00 0.00 64.05 60.92 1i41 n THR 115 Cb 0.33 -0.62 -0.11 0.00 -1.55 0.00 0.00 70.33 68.39 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 -1.58 1.53 -0.33 1.09 -1.04 0.13 -4.43 114.28 109.65 1i41 n THR 116 Ca 0.06 -0.32 0.24 0.00 -2.04 0.00 0.00 64.05 61.99 1i41 n THR 116 Cb 0.31 -1.89 0.48 0.00 -1.82 0.00 0.00 70.33 67.41 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 0.26 0.03 12.58 -1.51 -1.07 0.77 116.25 126.39 1i41 h VAL 117 Ca -0.62 -0.10 0.01 0.00 -1.23 0.00 0.00 66.70 64.77 1i41 h VAL 117 Cb 1.57 -0.04 -0.03 0.00 -2.13 0.00 0.00 31.29 30.66 1i41 h VAL 117 CO -0.35 0.05 -0.32 0.58 -1.23 0.00 0.00 177.57 176.30 1i41 h VAL 118 N 0.28 0.00 -0.98 7.19 2.07 -1.77 0.29 116.25 123.33 1i41 h VAL 118 Ca 0.74 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.49 1i41 h VAL 118 Cb 1.71 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1i41 h VAL 118 CO -0.63 0.00 0.64 0.25 0.02 0.00 0.00 177.57 177.85 1i41 h LEU 119 N -0.42 0.40 0.54 2.57 5.85 -1.10 0.30 115.31 123.45 1i41 h LEU 119 Ca 0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1i41 h LEU 119 Cb 0.44 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.46 1i41 h LEU 119 CO -0.20 0.13 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.44 1i41 h GLU 120 N 0.38 -0.70 -0.87 1.25 5.08 0.06 -1.21 114.58 118.57 1i41 h GLU 120 Ca 0.53 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.92 1i41 h GLU 120 Cb 1.37 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.73 1i41 h GLU 120 CO -0.22 -0.44 0.48 0.93 -1.00 0.00 0.00 179.01 178.77 1i41 h GLU 121 N -0.80 1.22 0.15 2.33 5.08 0.11 -1.51 114.58 121.15 1i41 h GLU 121 Ca -0.07 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1i41 h GLU 121 Cb 0.59 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1i41 h GLU 121 CO 0.12 0.89 -0.49 -0.22 -1.00 0.00 0.00 179.01 178.32 1i41 h LYS 122 N 1.22 -0.71 -0.73 2.33 3.64 -0.26 0.02 116.57 122.08 1i41 h LYS 122 Ca 0.31 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 1i41 h LYS 122 Cb 0.02 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1i41 h LYS 122 CO -0.05 -0.47 0.44 0.82 -2.27 0.00 0.00 179.45 177.92 1i41 h ILE 123 N -0.74 1.04 -0.13 2.00 2.04 -1.04 -2.16 117.51 118.51 1i41 h ILE 123 Ca 0.00 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1i41 h ILE 123 Cb 0.74 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1i41 h ILE 123 CO -0.26 0.15 -0.30 0.28 0.00 0.00 0.00 178.15 178.03 1i41 h SER 124 N 0.84 -0.92 -0.37 1.72 0.02 -0.60 -1.07 113.55 113.17 1i41 h SER 124 Ca 0.31 0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.48 1i41 h SER 124 Cb 0.11 0.40 -0.08 0.00 0.14 0.00 0.00 62.40 62.97 1i41 h SER 124 CO -0.15 -0.34 -0.18 0.00 -1.14 0.00 0.00 176.83 175.02 1i41 h ALA 125 N 0.49 0.10 0.12 3.77 0.00 -0.45 0.53 119.26 123.83 1i41 h ALA 125 Ca 0.10 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1i41 h ALA 125 Cb 0.52 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1i41 h ALA 125 CO -0.34 -0.55 -0.41 -0.07 0.00 0.00 0.00 179.25 177.88 1i41 h LEU 126 N -0.11 -1.23 0.00 0.00 3.38 -0.71 0.05 115.31 116.68 1i41 h LEU 126 Ca 0.18 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1i41 h LEU 126 Cb 0.40 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1i41 h LEU 126 CO -0.44 -0.45 0.00 -0.62 0.09 0.00 0.00 178.44 177.02 1i41 n GLU 127 N -4.81 0.25 -3.30 1.13 -0.58 -0.50 -4.86 120.64 107.97 1i41 n GLU 127 Ca -0.07 0.12 -0.17 0.00 -0.42 0.00 0.00 57.16 56.62 1i41 n GLU 127 Cb 0.33 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.18 -0.24 4.02 0.62 0.00 0.16 -4.71 105.19 105.22 1i41 n GLY 128 Ca 0.08 0.05 -0.18 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 4.56 0.03 4.61 0.00 0.34 -4.96 121.76 123.06 1i41 s ALA 129 Ca 0.30 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 1i41 s ALA 129 Cb -0.13 -1.59 -0.27 0.00 0.00 0.00 0.00 23.12 21.13 1i41 s ALA 129 CO 0.59 -0.53 0.95 1.49 0.00 0.00 0.00 175.76 178.26 1i41 h GLU 130 N 0.43 0.21 -1.77 0.00 4.81 -1.77 -3.43 114.58 113.07 1i41 h GLU 130 Ca -0.36 -0.36 0.05 0.00 -0.13 0.00 0.00 59.36 58.56 1i41 h GLU 130 Cb 1.28 0.13 -0.21 0.00 0.63 0.00 0.00 28.75 30.59 1i41 h GLU 130 CO 0.44 1.08 0.45 0.45 -0.73 0.00 0.00 179.01 180.70 1i41 s SER 131 N -6.92 -0.44 0.11 1.04 0.15 -0.70 -4.80 113.70 102.13 1i41 s SER 131 Ca -0.07 0.42 0.06 0.00 0.70 0.00 0.00 55.95 57.07 1i41 s SER 131 Cb 0.07 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1i41 s SER 131 CO 0.85 -0.45 -0.15 -0.89 1.20 0.00 0.00 173.24 173.81 1i41 s THR 132 N -1.40 1.33 0.08 6.45 2.01 -1.26 -1.67 115.64 121.18 1i41 s THR 132 Ca -0.03 -1.58 0.08 0.00 0.31 0.00 0.00 61.69 60.48 1i41 s THR 132 Cb -0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1i41 s THR 132 CO 0.02 -0.31 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.20 1i41 s LEU 133 N -2.18 2.25 -0.18 4.42 2.96 1.00 -4.89 118.68 122.06 1i41 s LEU 133 Ca 0.05 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 1i41 s LEU 133 Cb -0.07 -1.00 0.04 0.00 0.50 0.00 0.00 46.19 45.66 1i41 s LEU 133 CO 0.03 0.13 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.35 1i41 s LEU 134 N -1.63 1.93 0.00 -0.68 1.43 -1.26 -1.46 118.68 117.01 1i41 s LEU 134 Ca 0.08 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1i41 s LEU 134 Cb -0.10 -1.08 0.09 0.00 0.03 0.00 0.00 46.19 45.13 1i41 s LEU 134 CO 0.03 -0.16 0.62 0.23 0.23 0.00 0.00 176.35 177.31 1i41 n MET 135 N 4.78 0.28 0.17 1.70 2.81 -0.94 -4.15 117.12 121.77 1i41 n MET 135 Ca -0.13 -1.84 0.06 0.00 -1.81 0.00 0.00 57.70 53.98 1i41 n MET 135 Cb 0.47 -0.37 0.16 0.00 -0.71 0.00 0.00 33.22 32.77 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 -0.37 0.82 -2.23 3.04 0.00 -1.06 -2.75 119.26 116.71 1i41 h ALA 136 Ca -0.21 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1i41 h ALA 136 Cb 0.80 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.37 1i41 h ALA 136 CO 0.24 0.44 0.37 -1.54 0.00 0.00 0.00 179.25 178.75 1i41 s SER 137 N -6.35 -0.48 0.17 0.00 1.04 -1.26 -3.03 113.70 103.78 1i41 s SER 137 Ca 0.04 0.26 -0.23 0.00 0.48 0.00 0.00 55.95 56.49 1i41 s SER 137 Cb 0.08 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.72 1i41 s SER 137 CO 0.71 -0.64 1.59 1.23 0.98 0.00 0.00 173.24 177.10 1i41 h GLY 138 N 2.36 -0.30 -0.29 7.32 0.00 -1.83 0.59 103.07 110.92 1i41 h GLY 138 Ca -0.25 0.47 0.17 0.00 0.00 0.00 0.00 47.33 47.71 1i41 h GLY 138 CO 0.35 -0.20 0.05 -0.33 0.00 0.00 0.00 176.54 176.40 1i41 h MET 139 N -0.24 0.13 -0.36 4.80 2.86 -1.94 0.12 114.93 120.30 1i41 h MET 139 Ca 0.18 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.89 1i41 h MET 139 Cb 0.56 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.10 1i41 h MET 139 CO -0.61 0.09 -0.22 0.00 1.06 0.00 0.00 176.91 177.23 1i41 h ALA 141 N 1.02 -0.52 -0.44 0.00 0.00 -0.22 0.32 119.26 119.41 1i41 h ALA 141 Ca 0.18 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1i41 h ALA 141 Cb 0.45 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 1i41 h ALA 141 CO -0.46 -0.53 -0.38 0.66 0.00 0.00 0.00 179.25 178.54 1i41 h SER 142 N -0.03 -1.28 -0.09 0.00 4.64 -1.31 0.40 113.55 115.88 1i41 h SER 142 Ca 0.00 0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1i41 h SER 142 Cb 0.03 0.58 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1i41 h SER 142 CO -0.02 -0.34 -0.08 0.74 -0.87 0.00 0.00 176.83 176.26 1i41 h THR 143 N -0.27 0.00 -0.24 2.95 2.02 -0.66 0.23 112.91 116.93 1i41 h THR 143 Ca 0.17 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.40 1i41 h THR 143 Cb 0.56 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.90 1i41 h THR 143 CO -0.58 0.00 -0.40 0.58 0.37 0.00 0.00 175.52 175.49 1i41 h VAL 144 N -0.04 0.16 -0.75 3.16 2.07 0.15 -1.32 116.25 119.68 1i41 h VAL 144 Ca 0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.70 1i41 h VAL 144 Cb 0.08 0.16 -0.14 0.00 -1.52 0.00 0.00 31.29 29.88 1i41 h VAL 144 CO -0.11 0.00 -0.06 -0.03 0.02 0.00 0.00 177.57 177.40 1i41 h MET 145 N -0.40 0.06 0.53 1.57 4.05 0.57 0.20 114.93 121.52 1i41 h MET 145 Ca 0.11 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1i41 h MET 145 Cb 0.59 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1i41 h MET 145 CO -0.46 0.04 -0.26 -0.07 0.23 0.00 0.00 176.91 176.40 1i41 h LEU 146 N 0.06 -0.61 -2.09 3.39 3.38 0.11 -1.46 115.31 118.10 1i41 h LEU 146 Ca 0.40 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.35 1i41 h LEU 146 Cb 0.68 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1i41 h LEU 146 CO -0.70 -0.31 0.32 -0.07 0.09 0.00 0.00 178.44 177.77 1i41 h LEU 147 N -0.90 0.00 0.11 1.67 3.38 -0.26 -1.55 115.31 117.77 1i41 h LEU 147 Ca -0.07 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.53 1i41 h LEU 147 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1i41 h LEU 147 CO 0.12 0.00 -2.03 0.00 0.09 0.00 0.00 178.44 176.62 1i41 n ALA 148 N -2.03 0.94 -0.02 1.53 0.00 0.62 -4.66 120.51 116.88 1i41 n ALA 148 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.59 1i41 n ALA 148 Cb 0.40 -0.62 -0.13 0.00 0.00 0.00 0.00 19.45 19.10 1i41 n ALA 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i41 n LEU 149 N -3.49 2.54 -4.61 0.00 4.77 -0.58 -4.86 117.00 110.77 1i41 n LEU 149 Ca -0.33 0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.44 1i41 n LEU 149 Cb 1.03 -1.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1i41 n LEU 149 CO 0.41 0.77 1.21 -0.69 -1.33 0.00 0.00 177.39 177.76 1i41 s VAL 150 N -2.53 3.97 1.09 4.08 1.01 -0.62 -5.02 120.40 122.39 1i41 s VAL 150 Ca -0.24 1.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 1i41 s VAL 150 Cb 0.07 -4.17 0.24 0.00 0.00 0.00 0.00 36.38 32.52 1i41 s VAL 150 CO 0.73 -0.65 1.06 -2.84 0.00 0.00 0.00 175.10 173.41 1i41 s PRO 151 N 4.68 -0.34 0.30 2.72 0.02 -1.26 -4.82 135.00 136.30 1i41 s PRO 151 Ca 0.60 0.55 -0.29 0.00 0.02 0.00 0.00 61.00 61.88 1i41 s PRO 151 Cb -0.15 -1.64 -0.10 0.00 0.02 0.00 0.00 34.50 32.63 1i41 s PRO 151 CO 0.29 -3.26 1.28 0.00 -0.33 0.00 0.00 177.00 174.98 1i41 s ALA 152 N -2.77 3.49 0.00 -1.55 0.00 -1.26 -2.10 121.76 117.57 1i41 s ALA 152 Ca 0.67 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1i41 s ALA 152 Cb -0.20 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1i41 s ALA 152 CO 0.60 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1i41 n GLY 153 N 1.16 2.01 3.54 0.00 0.00 0.18 -4.93 105.19 107.15 1i41 n GLY 153 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 1.56 0.10 -0.02 0.00 -0.89 -4.54 107.32 101.53 1i41 s GLY 154 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 44.72 44.70 1i41 s GLY 154 CO 0.00 0.57 -0.16 -1.58 0.00 0.00 0.00 173.10 171.93 1i41 s HIS 155 N -2.57 2.59 0.08 1.90 5.65 -1.26 -1.87 115.29 119.80 1i41 s HIS 155 Ca 0.68 -0.24 0.01 0.00 0.25 0.00 0.00 55.06 55.76 1i41 s HIS 155 Cb -0.23 -1.38 -0.04 0.00 -1.18 0.00 0.00 32.58 29.74 1i41 s HIS 155 CO 0.63 0.38 -0.05 -1.50 -0.65 0.00 0.00 174.74 173.54 1i41 s ILE 156 N -1.13 0.54 -0.06 0.89 2.07 -0.51 -0.56 121.20 122.43 1i41 s ILE 156 Ca 0.18 -1.84 0.01 0.00 -1.41 0.00 0.00 60.65 57.59 1i41 s ILE 156 Cb -0.11 -1.56 0.02 0.00 0.13 0.00 0.00 42.46 40.95 1i41 s ILE 156 CO 0.10 -0.88 -0.05 -0.69 -1.91 0.00 0.00 174.94 171.51 1i41 s VAL 157 N -3.57 0.67 0.29 4.00 1.01 -0.76 -1.05 120.40 121.00 1i41 s VAL 157 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1i41 s VAL 157 Cb 0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1i41 s VAL 157 CO -0.06 0.27 0.11 0.35 0.00 0.00 0.00 175.10 175.77 1i41 n THR 158 N 4.32 0.00 -2.99 3.92 -2.24 -0.48 -0.16 114.28 116.64 1i41 n THR 158 Ca -0.20 -1.71 -0.19 0.00 -2.27 0.00 0.00 64.05 59.68 1i41 n THR 158 Cb 0.51 0.62 0.04 0.00 -2.10 0.00 0.00 70.33 69.40 1i41 n THR 158 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1i41 s THR 159 N -2.65 2.55 -0.00 4.28 -4.23 -1.25 -1.38 115.64 112.95 1i41 s THR 159 Ca 0.15 -0.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.80 1i41 s THR 159 Cb 0.01 -2.57 -0.14 0.00 1.34 0.00 0.00 72.50 71.13 1i41 s THR 159 CO 0.11 0.00 1.15 0.71 -0.54 0.00 0.00 174.62 176.04 1i41 h THR 160 N 0.35 1.22 -0.82 3.99 1.35 -1.54 -3.36 112.91 114.11 1i41 h THR 160 Ca -0.35 -2.86 -0.45 0.00 -0.55 0.00 0.00 66.41 62.21 1i41 h THR 160 Cb 1.28 2.58 -0.17 0.00 -1.73 0.00 0.00 68.15 70.11 1i41 h THR 160 CO 0.43 0.70 0.48 0.47 -0.25 0.00 0.00 175.52 177.34 1i41 n ASP 161 N -3.21 6.64 -4.73 5.36 9.92 -1.26 -4.97 116.55 124.30 1i41 n ASP 161 Ca -0.04 -3.23 -0.30 0.00 -0.53 0.00 0.00 54.79 50.70 1i41 n ASP 161 Cb 0.90 -1.12 0.13 0.00 -0.64 0.00 0.00 41.12 40.39 1i41 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i41 s TYR 163 N -2.95 3.78 0.00 0.00 5.04 -1.26 -4.84 117.35 117.11 1i41 s TYR 163 Ca 0.63 1.69 0.00 0.00 -2.44 0.00 0.00 57.07 56.94 1i41 s TYR 163 Cb -0.18 -2.98 0.00 0.00 0.35 0.00 0.00 41.96 39.15 1i41 s TYR 163 CO 0.57 0.22 0.09 -2.13 -1.34 0.00 0.00 175.55 172.95 1i41 n ARG 164 N 2.86 0.00 -0.18 4.97 3.00 -1.26 -1.20 116.66 124.85 1i41 n ARG 164 Ca 0.01 0.09 -0.01 0.00 -0.00 0.00 0.00 57.85 57.93 1i41 n ARG 164 Cb 0.50 -0.17 0.06 0.00 0.00 0.00 0.00 32.46 32.85 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 0.07 -1.01 -0.14 6.56 -1.97 -0.28 116.57 119.80 1i41 h LYS 165 Ca 0.00 -0.00 0.24 0.00 -1.06 0.00 0.00 60.65 59.82 1i41 h LYS 165 Cb 0.00 -0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 31.54 1i41 h LYS 165 CO 0.00 0.04 0.63 1.15 -2.06 0.00 0.00 179.45 179.21 1i41 h THR 166 N 0.07 0.58 0.74 -0.16 2.02 -1.55 -1.25 112.91 113.36 1i41 h THR 166 Ca 0.27 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 1i41 h THR 166 Cb 0.43 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1i41 h THR 166 CO -0.50 0.10 -0.35 -0.09 0.37 0.00 0.00 175.52 175.05 1i41 h ARG 167 N 0.55 -0.96 -0.82 6.66 9.65 -0.23 -2.94 114.38 126.30 1i41 h ARG 167 Ca 0.60 0.07 0.14 0.00 -1.10 0.00 0.00 59.98 59.69 1i41 h ARG 167 Cb 1.24 0.22 -0.15 0.00 -1.39 0.00 0.00 29.97 29.89 1i41 h ARG 167 CO -0.37 -0.64 -0.31 0.82 2.80 0.00 0.00 179.97 182.27 1i41 h ILE 168 N -1.04 0.10 -0.24 1.20 2.04 -0.96 0.96 117.51 119.58 1i41 h ILE 168 Ca -0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1i41 h ILE 168 Cb 0.76 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 1i41 h ILE 168 CO 0.17 0.00 -0.43 0.15 0.00 0.00 0.00 178.15 178.04 1i41 h PHE 169 N -0.05 -1.25 -0.33 1.37 3.57 -1.32 0.48 116.94 119.41 1i41 h PHE 169 Ca 0.33 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.92 1i41 h PHE 169 Cb 0.59 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1i41 h PHE 169 CO -0.73 -0.47 0.22 0.82 -2.23 0.00 0.00 178.31 175.93 1i41 h ILE 170 N -0.43 1.02 0.00 1.41 2.04 -0.85 0.88 117.51 121.57 1i41 h ILE 170 Ca 0.10 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1i41 h ILE 170 Cb 0.61 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1i41 h ILE 170 CO -0.47 0.06 -0.81 -0.33 0.00 0.00 0.00 178.15 176.60 1i41 h GLU 171 N 0.34 0.00 0.00 2.37 5.08 0.79 -3.39 114.58 119.78 1i41 h GLU 171 Ca 0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1i41 h GLU 171 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1i41 h GLU 171 CO -0.03 0.00 -1.10 0.25 -1.00 0.00 0.00 179.01 177.13 1i41 n THR 172 N -2.65 0.10 -0.04 1.13 -2.24 0.15 -4.75 114.28 105.99 1i41 n THR 172 Ca 0.01 -0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 1i41 n THR 172 Cb 0.53 -0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.96 2.28 1.08 -0.97 -3.39 117.51 115.55 1i41 h ILE 173 Ca -0.04 -0.58 0.29 0.00 -0.39 0.00 0.00 64.86 64.14 1i41 h ILE 173 Cb 1.07 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.64 1i41 h ILE 173 CO -0.00 0.00 0.10 0.18 -0.69 0.00 0.00 178.15 177.74 1i41 n LEU 174 N -3.61 -0.04 0.12 1.44 4.77 -1.10 0.12 117.00 118.71 1i41 n LEU 174 Ca -0.03 1.63 0.19 0.00 -0.03 0.00 0.00 56.01 57.76 1i41 n LEU 174 Cb 0.10 -0.63 0.76 0.00 -2.33 0.00 0.00 43.42 41.33 1i41 n LEU 174 CO 0.04 -1.68 1.16 1.55 -1.33 0.00 0.00 177.39 177.14 1i41 h PRO 175 N 0.00 0.00 0.00 3.23 0.13 -1.74 0.38 132.00 134.00 1i41 h PRO 175 Ca 0.62 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.74 1i41 h PRO 175 Cb 1.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 1i41 h PRO 175 CO -0.88 0.00 -0.07 0.87 -0.23 0.00 0.00 178.00 177.69 1i41 h LYS 176 N 0.00 0.00 -0.54 0.86 1.57 0.78 0.17 116.57 119.42 1i41 h LYS 176 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1i41 h LYS 176 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1i41 h LYS 176 CO -0.00 0.07 0.00 -1.33 -0.57 0.00 0.00 179.45 177.62 1i41 n MET 177 N -4.44 2.44 -1.17 3.15 2.81 0.13 -4.89 117.12 115.14 1i41 n MET 177 Ca -0.03 -1.79 -0.06 0.00 -1.81 0.00 0.00 57.70 54.01 1i41 n MET 177 Cb 0.15 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 1i41 n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i41 n GLY 178 N 1.06 0.81 3.58 3.03 0.00 0.61 -0.65 105.19 113.63 1i41 n GLY 178 Ca 0.16 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1i41 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i41 s ILE 179 N -2.07 4.74 0.23 -0.61 1.01 -1.03 -3.13 121.20 120.35 1i41 s ILE 179 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 1i41 s ILE 179 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1i41 s ILE 179 CO 0.00 -0.44 0.42 0.28 0.00 0.00 0.00 174.94 175.21 1i41 s THR 180 N 3.07 5.18 0.07 2.92 -1.32 -0.78 -3.58 115.64 121.20 1i41 s THR 180 Ca 0.31 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.43 1i41 s THR 180 Cb -0.13 -3.75 -0.03 0.00 -1.51 0.00 0.00 72.50 67.07 1i41 s THR 180 CO 0.17 -0.24 -0.06 0.00 -2.21 0.00 0.00 174.62 172.28 1i41 s ALA 181 N -1.95 0.71 -0.16 11.08 0.00 -1.26 -1.42 121.76 128.76 1i41 s ALA 181 Ca 0.39 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1i41 s ALA 181 Cb -0.11 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1i41 s ALA 181 CO 0.30 -0.19 -0.18 0.99 0.00 0.00 0.00 175.76 176.68 1i41 s THR 182 N -2.84 2.38 -0.38 0.00 2.01 -0.21 -4.95 115.64 111.64 1i41 s THR 182 Ca 0.02 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 1i41 s THR 182 Cb -0.00 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.54 1i41 s THR 182 CO -0.04 0.53 0.25 -0.69 -0.69 0.00 0.00 174.62 173.97 1i41 s VAL 183 N 0.97 4.93 0.26 3.82 1.01 -1.26 -1.39 120.40 128.74 1i41 s VAL 183 Ca -0.03 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.35 1i41 s VAL 183 Cb -0.15 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1i41 s VAL 183 CO -0.04 -0.23 -0.06 0.27 0.00 0.00 0.00 175.10 175.03 1i41 s ILE 184 N 1.62 3.17 0.37 2.22 -4.36 -0.48 -4.85 121.20 118.90 1i41 s ILE 184 Ca 0.04 -2.03 -0.26 0.00 -0.26 0.00 0.00 60.65 58.14 1i41 s ILE 184 Cb -0.19 -2.68 -0.09 0.00 1.25 0.00 0.00 42.46 40.75 1i41 s ILE 184 CO 0.08 -0.37 1.13 -0.62 0.24 0.00 0.00 174.94 175.41 1i41 s ASP 185 N -3.58 6.75 0.27 4.36 2.15 -1.26 -1.33 116.67 124.03 1i41 s ASP 185 Ca 0.31 2.27 0.01 0.00 0.43 0.00 0.00 52.55 55.56 1i41 s ASP 185 Cb -0.06 -2.61 0.62 0.00 -0.30 0.00 0.00 42.92 40.57 1i41 s ASP 185 CO 0.18 -0.51 1.73 -0.65 -0.17 0.00 0.00 175.17 175.75 1i41 h PRO 186 N 2.88 0.49 -0.00 4.34 0.11 -1.94 -2.66 132.00 135.22 1i41 h PRO 186 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 1i41 h PRO 186 Cb 1.22 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.23 1i41 h PRO 186 CO 0.63 0.32 -0.35 0.00 -0.21 0.00 0.00 178.00 178.40 1i41 h ALA 187 N 1.63 0.04 -0.09 -0.75 0.00 -1.92 -3.43 119.26 114.74 1i41 h ALA 187 Ca 0.51 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1i41 h ALA 187 Cb 0.85 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1i41 h ALA 187 CO -0.45 0.16 0.78 -3.47 0.00 0.00 0.00 179.25 176.27 1i41 n ASP 188 N -4.42 -0.20 0.10 0.00 -0.08 -1.00 -4.68 116.55 106.26 1i41 n ASP 188 Ca -0.10 -1.50 -0.05 0.00 -1.51 0.00 0.00 54.79 51.63 1i41 n ASP 188 Cb 0.55 -1.11 0.09 0.00 2.34 0.00 0.00 41.12 42.99 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 7.07 1.45 -0.05 5.18 2.07 -1.83 -3.21 116.25 126.94 1i41 h VAL 189 Ca 0.01 -2.28 0.04 0.00 0.82 0.00 0.00 66.70 65.28 1i41 h VAL 189 Cb 1.03 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.98 1i41 h VAL 189 CO 1.15 0.66 -0.23 1.23 0.02 0.00 0.00 177.57 180.40 1i41 h GLY 190 N 1.78 -0.30 0.06 2.17 0.00 -1.97 0.29 103.07 105.09 1i41 h GLY 190 Ca -0.02 0.28 0.15 0.00 0.00 0.00 0.00 47.33 47.74 1i41 h GLY 190 CO 0.10 -0.20 0.23 0.00 0.00 0.00 0.00 176.54 176.68 1i41 h ALA 191 N 0.55 0.98 0.40 3.60 0.00 -1.95 0.27 119.26 123.11 1i41 h ALA 191 Ca 0.08 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1i41 h ALA 191 Cb 0.44 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1i41 h ALA 191 CO -0.24 -0.28 -0.19 1.25 0.00 0.00 0.00 179.25 179.79 1i41 h LEU 192 N 0.35 -0.45 -0.97 0.00 5.85 -1.31 0.88 115.31 119.66 1i41 h LEU 192 Ca 0.40 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.24 1i41 h LEU 192 Cb 0.65 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 1i41 h LEU 192 CO -0.45 -0.32 0.60 -0.08 -0.34 0.00 0.00 178.44 177.85 1i41 h GLU 193 N -0.54 0.96 0.52 1.25 4.81 0.08 0.12 114.58 121.78 1i41 h GLU 193 Ca -0.05 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1i41 h GLU 193 Cb 0.41 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1i41 h GLU 193 CO 0.09 0.63 -0.25 1.25 -0.73 0.00 0.00 179.01 180.00 1i41 h LEU 194 N 0.99 -0.59 -0.90 1.64 5.85 -0.06 -2.85 115.31 119.39 1i41 h LEU 194 Ca 0.46 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.44 1i41 h LEU 194 Cb 0.40 0.15 -0.13 0.00 0.37 0.00 0.00 40.66 41.45 1i41 h LEU 194 CO -0.24 -0.41 0.38 0.00 -0.34 0.00 0.00 178.44 177.82 1i41 h ALA 195 N -1.65 1.46 -1.00 1.25 0.00 -0.55 0.54 119.26 119.31 1i41 h ALA 195 Ca -0.07 0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1i41 h ALA 195 Cb 0.54 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 1i41 h ALA 195 CO 0.12 -0.39 0.62 -0.07 0.00 0.00 0.00 179.25 179.52 1i41 h LEU 196 N 0.35 0.68 0.09 0.00 -0.00 -0.61 -2.08 115.31 113.74 1i41 h LEU 196 Ca 0.58 0.10 -0.33 0.00 -0.00 0.00 0.00 57.88 58.23 1i41 h LEU 196 Cb 1.14 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 1i41 h LEU 196 CO -0.56 0.19 -1.81 0.78 -0.00 0.00 0.00 178.44 177.04 1i41 h ASN 197 N 0.63 0.30 0.00 -0.43 2.35 0.19 -3.41 115.58 115.21 1i41 h ASN 197 Ca 0.59 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1i41 h ASN 197 Cb 1.11 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1i41 h ASN 197 CO -0.38 1.53 0.00 0.00 -1.65 0.00 0.00 177.43 176.93 1i41 n GLN 198 N -3.36 0.00 -2.27 0.81 6.02 0.23 -4.86 117.38 113.94 1i41 n GLN 198 Ca -0.24 0.47 -0.14 0.00 -0.01 0.00 0.00 57.00 57.08 1i41 n GLN 198 Cb 1.05 -1.47 0.06 0.00 1.02 0.00 0.00 30.24 30.90 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 -1.92 0.54 -3.50 -1.09 4.01 -0.84 -5.06 118.16 110.30 1i41 n LYS 199 Ca 0.00 -2.12 -0.42 0.00 -0.51 0.00 0.00 58.31 55.26 1i41 n LYS 199 Cb 0.00 -0.26 -0.05 0.00 -0.51 0.00 0.00 35.03 34.21 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 -3.99 3.21 0.13 1.97 2.36 -1.26 -4.66 119.74 117.49 1i41 s LYS 200 Ca 0.44 -2.59 -0.31 0.00 -2.55 0.00 0.00 55.97 50.96 1i41 s LYS 200 Cb -0.03 -4.13 -0.09 0.00 -1.05 0.00 0.00 37.83 32.53 1i41 s LYS 200 CO 0.28 -1.24 1.47 0.08 1.55 0.00 0.00 175.35 177.49 1i41 s VAL 201 N -0.11 3.06 -0.06 4.02 1.01 -1.26 -4.14 120.40 122.92 1i41 s VAL 201 Ca 0.19 0.75 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 1i41 s VAL 201 Cb -0.14 -3.48 -0.27 0.00 0.00 0.00 0.00 36.38 32.49 1i41 s VAL 201 CO -0.07 0.05 0.60 0.78 0.00 0.00 0.00 175.10 176.46 1i41 h ASN 202 N 6.92 0.39 -4.00 3.32 4.21 -1.19 -3.35 115.58 121.87 1i41 h ASN 202 Ca -0.42 -0.71 -0.01 0.00 1.21 0.00 0.00 56.30 56.37 1i41 h ASN 202 Cb 1.21 -0.13 -0.22 0.00 -1.12 0.00 0.00 38.32 38.06 1i41 h ASN 202 CO 0.89 1.62 0.25 -0.22 -1.29 0.00 0.00 177.43 178.67 1i41 s LEU 203 N -6.94 -0.64 -0.14 1.61 0.20 -1.24 -2.00 118.68 109.53 1i41 s LEU 203 Ca -0.15 1.11 -0.05 0.00 0.69 0.00 0.00 54.13 55.73 1i41 s LEU 203 Cb 0.07 2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 48.09 1i41 s LEU 203 CO 0.82 -0.30 0.04 0.12 -0.29 0.00 0.00 176.35 176.74 1i41 s PHE 204 N -0.04 3.24 -0.02 5.38 5.36 0.82 -1.82 117.98 130.90 1i41 s PHE 204 Ca -0.01 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 1i41 s PHE 204 Cb -0.04 -1.96 0.02 0.00 -0.34 0.00 0.00 43.02 40.71 1i41 s PHE 204 CO 0.01 0.30 0.01 0.12 -1.46 0.00 0.00 175.22 174.20 1i41 s PHE 205 N -0.19 0.15 0.12 10.12 5.36 0.77 -0.95 117.98 133.36 1i41 s PHE 205 Ca 0.07 0.05 -0.26 0.00 -0.96 0.00 0.00 56.93 55.83 1i41 s PHE 205 Cb -0.12 -0.26 0.07 0.00 -0.34 0.00 0.00 43.02 42.37 1i41 s PHE 205 CO 0.02 -0.08 0.86 -0.08 -1.46 0.00 0.00 175.22 174.48 1i41 s THR 206 N 0.78 0.00 -0.08 0.12 -1.32 -0.62 -3.84 115.64 110.68 1i41 s THR 206 Ca -0.07 -0.40 -0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1i41 s THR 206 Cb -0.10 -1.54 -0.03 0.00 -1.51 0.00 0.00 72.50 69.32 1i41 s THR 206 CO -0.02 0.00 -0.04 -1.83 -2.21 0.00 0.00 174.62 170.52 1i41 s GLU 207 N -3.36 2.86 -0.18 7.08 -1.05 -1.26 -0.03 118.70 122.76 1i41 s GLU 207 Ca 0.08 -0.50 -0.05 0.00 -0.15 0.00 0.00 54.97 54.36 1i41 s GLU 207 Cb -0.02 -2.67 0.09 0.00 -0.44 0.00 0.00 34.13 31.09 1i41 s GLU 207 CO -0.03 0.66 0.32 0.45 0.95 0.00 0.00 175.26 177.61 1i41 s SER 208 N -0.80 0.37 1.12 0.83 0.15 -1.06 -3.58 113.70 110.73 1i41 s SER 208 Ca 0.12 0.46 -0.14 0.00 0.70 0.00 0.00 55.95 57.09 1i41 s SER 208 Cb -0.11 0.88 0.21 0.00 -1.71 0.00 0.00 66.02 65.29 1i41 s SER 208 CO 0.02 -0.27 0.70 -2.65 1.20 0.00 0.00 173.24 172.24 1i41 n PRO 209 N 5.36 -1.90 -2.92 5.44 -0.02 -1.26 -4.44 135.00 135.25 1i41 n PRO 209 Ca -0.06 -0.52 -0.20 0.00 -2.02 0.00 0.00 63.50 60.70 1i41 n PRO 209 Cb 0.50 -2.04 0.06 0.00 -0.02 0.00 0.00 33.50 32.00 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 -2.38 2.34 -0.08 3.45 -1.32 0.22 -4.73 115.64 113.15 1i41 s THR 210 Ca 0.64 -0.90 0.03 0.00 -1.21 0.00 0.00 61.69 60.25 1i41 s THR 210 Cb -0.21 -2.44 0.01 0.00 -1.51 0.00 0.00 72.50 68.34 1i41 s THR 210 CO 0.65 0.00 -0.17 0.21 -2.21 0.00 0.00 174.62 173.10 1i41 s ASN 211 N -4.60 2.34 0.00 8.08 3.04 -1.23 -1.55 114.94 121.02 1i41 s ASN 211 Ca 0.61 -0.41 0.22 0.00 0.04 0.00 0.00 52.86 53.32 1i41 s ASN 211 Cb -0.07 -1.04 -0.00 0.00 -1.54 0.00 0.00 41.25 38.60 1i41 s ASN 211 CO 0.39 0.10 1.07 -0.81 -3.04 0.00 0.00 177.10 174.81 1i41 n PRO 212 N 3.63 1.30 0.00 0.43 -0.04 -1.26 -4.55 135.00 134.51 1i41 n PRO 212 Ca -0.21 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1i41 n PRO 212 Cb 0.52 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1i41 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i41 n PHE 213 N 0.03 0.00 -3.07 0.54 3.72 -1.26 -4.63 117.46 112.79 1i41 n PHE 213 Ca 0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 1i41 n PHE 213 Cb 0.46 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.98 1i41 n PHE 213 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i41 n LEU 214 N -0.46 -0.40 -4.71 4.37 4.77 -0.60 -4.74 117.00 115.24 1i41 n LEU 214 Ca 0.00 -0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 1i41 n LEU 214 Cb 0.01 -1.31 0.11 0.00 -2.33 0.00 0.00 43.42 39.90 1i41 n LEU 214 CO 0.00 0.03 0.81 -0.13 -1.33 0.00 0.00 177.39 176.77 1i41 s ARG 215 N -5.64 1.94 0.09 3.23 1.81 -1.26 -3.94 118.95 115.18 1i41 s ARG 215 Ca 0.24 1.85 0.08 0.00 -1.72 0.00 0.00 55.73 56.18 1i41 s ARG 215 Cb -0.14 -1.80 -0.03 0.00 -0.45 0.00 0.00 34.95 32.53 1i41 s ARG 215 CO 0.29 -2.01 -0.21 0.00 -0.68 0.00 0.00 175.30 172.69 1i41 s VAL 217 N -1.06 3.86 -1.22 0.00 1.01 -1.26 -4.69 120.40 117.04 1i41 s VAL 217 Ca 0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 1i41 s VAL 217 Cb -0.10 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1i41 s VAL 217 CO 0.04 0.56 1.89 -0.62 0.00 0.00 0.00 175.10 176.97 1i41 s ASP 218 N -0.40 5.44 0.13 3.32 -1.08 -1.26 -4.79 116.67 118.04 1i41 s ASP 218 Ca 0.06 -1.87 -0.28 0.00 -0.52 0.00 0.00 52.55 49.94 1i41 s ASP 218 Cb -0.12 -2.59 -0.08 0.00 -1.46 0.00 0.00 42.92 38.67 1i41 s ASP 218 CO 0.02 -2.65 1.48 0.40 0.52 0.00 0.00 175.17 174.95 1i41 h ILE 219 N 6.02 0.00 -0.77 4.11 2.04 -1.95 0.68 117.51 127.64 1i41 h ILE 219 Ca 0.27 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.31 1i41 h ILE 219 Cb 0.92 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.86 1i41 h ILE 219 CO 1.28 0.00 -0.04 -0.08 0.00 0.00 0.00 178.15 179.31 1i41 h GLU 220 N -0.18 0.07 0.51 2.37 4.81 -1.87 0.53 114.58 120.83 1i41 h GLU 220 Ca 0.10 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1i41 h GLU 220 Cb 0.45 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.82 1i41 h GLU 220 CO -0.68 0.05 -0.25 1.25 -0.73 0.00 0.00 179.01 178.65 1i41 h LEU 221 N 0.07 -0.58 -0.66 1.64 5.85 -1.42 -2.29 115.31 117.92 1i41 h LEU 221 Ca 0.41 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.28 1i41 h LEU 221 Cb 0.72 0.15 -0.13 0.00 0.37 0.00 0.00 40.66 41.77 1i41 h LEU 221 CO -0.71 -0.38 -0.25 0.58 -0.34 0.00 0.00 178.44 177.34 1i41 h VAL 222 N -0.76 0.23 -0.87 1.05 2.07 -0.26 0.29 116.25 118.00 1i41 h VAL 222 Ca -0.07 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.64 1i41 h VAL 222 Cb 0.53 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.42 1i41 h VAL 222 CO 0.12 0.00 0.40 0.28 0.02 0.00 0.00 177.57 178.39 1i41 h SER 223 N -0.08 0.39 0.47 0.57 0.02 0.04 0.12 113.55 115.08 1i41 h SER 223 Ca 0.29 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 1i41 h SER 223 Cb 0.54 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1i41 h SER 223 CO -0.71 0.08 -0.23 0.50 -1.14 0.00 0.00 176.83 175.33 1i41 h LYS 224 N 0.48 -0.61 0.13 3.45 3.64 0.15 -2.11 116.57 121.70 1i41 h LYS 224 Ca 0.52 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.96 1i41 h LYS 224 Cb 0.90 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1i41 h LYS 224 CO -0.47 -0.35 -0.31 -0.07 -2.27 0.00 0.00 179.45 175.98 1i41 h LEU 225 N -0.74 -0.90 -0.19 5.20 3.38 -0.44 -2.54 115.31 119.08 1i41 h LEU 225 Ca -0.06 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1i41 h LEU 225 Cb 0.54 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1i41 h LEU 225 CO 0.11 -0.41 -0.07 0.00 0.09 0.00 0.00 178.44 178.16 1i41 h HIS 227 N -0.03 0.00 0.00 0.00 3.86 -1.29 0.96 115.15 118.65 1i41 h HIS 227 Ca 0.10 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1i41 h HIS 227 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1i41 h HIS 227 CO -0.22 0.00 -0.17 1.49 0.86 0.00 0.00 177.93 179.89 1i41 h GLU 228 N 0.00 0.00 -0.26 2.45 4.81 -0.89 -3.03 114.58 117.67 1i41 h GLU 228 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1i41 h GLU 228 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1i41 h GLU 228 CO -0.00 0.17 0.00 1.63 -0.73 0.00 0.00 179.01 180.08 1i41 n LYS 229 N -3.35 2.82 -0.48 1.92 4.76 0.26 -4.97 118.16 119.12 1i41 n LYS 229 Ca 0.00 -2.21 0.00 0.00 -2.87 0.00 0.00 58.31 53.23 1i41 n LYS 229 Cb 0.39 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 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 0.01 1.82 3.77 0.72 0.00 -0.94 -4.87 105.19 105.71 1i41 n GLY 230 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.40 2.82 0.09 4.61 0.00 -0.76 -4.92 121.76 120.20 1i41 s ALA 231 Ca 0.00 0.85 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 1i41 s ALA 231 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1i41 s ALA 231 CO 0.00 -0.68 0.34 -0.51 0.00 0.00 0.00 175.76 174.91 1i41 s LEU 232 N -3.47 4.32 -0.19 0.00 1.43 -0.85 -3.88 118.68 116.04 1i41 s LEU 232 Ca 0.69 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 1i41 s LEU 232 Cb -0.25 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 42.94 1i41 s LEU 232 CO 0.29 0.14 -0.15 -0.69 0.23 0.00 0.00 176.35 176.18 1i41 s VAL 233 N -1.49 2.55 -0.16 -1.59 1.01 -1.26 0.29 120.40 119.74 1i41 s VAL 233 Ca 0.35 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1i41 s VAL 233 Cb -0.13 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1i41 s VAL 233 CO 0.21 0.50 -0.15 0.00 0.00 0.00 0.00 175.10 175.66 1i41 s ILE 235 N 1.43 3.87 -1.01 0.00 -1.09 0.11 -1.58 121.20 122.94 1i41 s ILE 235 Ca 0.05 -0.37 -0.14 0.00 -2.23 0.00 0.00 60.65 57.97 1i41 s ILE 235 Cb -0.13 -2.69 0.21 0.00 -1.58 0.00 0.00 42.46 38.26 1i41 s ILE 235 CO -0.11 0.50 1.09 -0.62 -1.23 0.00 0.00 174.94 174.56 1i41 s ASP 236 N 0.33 6.96 -0.13 3.58 -1.08 0.96 -1.45 116.67 125.84 1i41 s ASP 236 Ca -0.04 -2.87 0.01 0.00 -0.52 0.00 0.00 52.55 49.12 1i41 s ASP 236 Cb -0.14 -2.29 0.16 0.00 -1.46 0.00 0.00 42.92 39.19 1i41 s ASP 236 CO 0.03 -0.64 1.42 0.61 0.52 0.00 0.00 175.17 177.12 1i41 n GLY 237 N 3.98 2.82 0.42 2.66 0.00 -1.09 -2.56 105.19 111.42 1i41 n GLY 237 Ca 0.24 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.44 0.07 -0.23 2.61 2.02 -1.87 0.26 112.91 116.20 1i41 h THR 238 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1i41 h THR 238 Cb 1.36 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1i41 h THR 238 CO 0.32 0.00 0.08 -0.26 0.37 0.00 0.00 175.52 176.03 1i41 h PHE 239 N -0.41 0.31 0.38 3.16 0.04 -1.85 -3.20 116.94 115.38 1i41 h PHE 239 Ca 0.10 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1i41 h PHE 239 Cb 0.61 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1i41 h PHE 239 CO -0.63 0.26 -0.18 0.00 -0.60 0.00 0.00 178.31 177.16 1i41 h ALA 240 N 1.77 -0.51 0.00 2.45 0.00 -1.46 -3.40 119.26 118.10 1i41 h ALA 240 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1i41 h ALA 240 Cb 0.09 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1i41 h ALA 240 CO -0.01 -0.50 0.00 2.41 0.00 0.00 0.00 179.25 181.16 1i41 n THR 241 N -5.12 -0.37 0.21 0.00 -1.04 -0.05 -3.92 114.28 104.00 1i41 n THR 241 Ca -0.07 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.03 1i41 n THR 241 Cb 0.24 0.00 0.51 0.00 -1.82 0.00 0.00 70.33 69.26 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 0.24 -2.82 0.13 -1.84 -1.79 132.00 125.92 1i41 h PRO 242 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 1i41 h PRO 242 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1i41 h PRO 242 CO 0.00 0.00 -1.38 -0.07 -0.23 0.00 0.00 178.00 176.32 1i41 h LEU 243 N 0.00 0.78 -0.09 1.56 3.38 -1.95 -3.34 115.31 115.66 1i41 h LEU 243 Ca 0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1i41 h LEU 243 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1i41 h LEU 243 CO 0.00 1.66 -0.10 0.59 0.09 0.00 0.00 178.44 180.69 1i41 n ASN 244 N -3.79 0.23 -3.61 -0.43 3.02 -0.68 -4.82 115.26 105.18 1i41 n ASN 244 Ca -0.17 -0.16 -0.05 0.00 -0.03 0.00 0.00 54.58 54.17 1i41 n ASN 244 Cb 1.06 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.99 1i41 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i41 s GLN 245 N -2.69 0.29 -0.65 3.52 -2.07 -1.18 -1.20 119.66 115.69 1i41 s GLN 245 Ca 0.23 0.02 0.05 0.00 -1.82 0.00 0.00 55.36 53.85 1i41 s GLN 245 Cb 0.20 0.14 0.20 0.00 -1.09 0.00 0.00 33.01 32.45 1i41 s GLN 245 CO 0.51 -0.10 0.56 1.63 -1.32 0.00 0.00 175.29 176.57 1i41 n LYS 246 N 0.45 1.85 -0.32 9.60 4.76 -1.26 -4.39 118.16 128.84 1i41 n LYS 246 Ca -0.03 -4.38 0.15 0.00 -2.87 0.00 0.00 58.31 51.18 1i41 n LYS 246 Cb 0.58 -2.18 0.31 0.00 -1.84 0.00 0.00 35.03 31.91 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 4.99 1.26 -0.70 7.82 0.00 -1.95 0.60 119.26 131.29 1i41 h ALA 247 Ca 0.17 0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.43 1i41 h ALA 247 Cb 0.74 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1i41 h ALA 247 CO 0.71 -0.58 0.42 -0.07 0.00 0.00 0.00 179.25 179.73 1i41 h LEU 248 N 0.06 0.66 -1.20 0.00 3.38 -1.86 -0.80 115.31 115.54 1i41 h LEU 248 Ca 0.60 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.51 1i41 h LEU 248 Cb 1.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1i41 h LEU 248 CO -0.83 0.44 -0.27 0.00 0.09 0.00 0.00 178.44 177.86 1i41 h ALA 249 N 1.33 1.34 0.00 1.53 0.00 -0.11 -1.56 119.26 121.79 1i41 h ALA 249 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i41 h ALA 249 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i41 h ALA 249 CO -0.15 0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1i41 n LEU 250 N -4.15 0.00 0.00 0.00 4.77 -0.49 -4.83 117.00 112.29 1i41 n LEU 250 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1i41 n LEU 250 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1i41 n LEU 250 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1i41 n GLY 251 N 0.54 1.01 3.60 -0.72 0.00 -0.59 -3.57 105.19 105.47 1i41 n GLY 251 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1i41 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 252 N -1.41 0.02 -0.02 4.61 0.00 -0.43 -4.93 120.51 118.35 1i41 n ALA 252 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 1i41 n ALA 252 Cb 0.00 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.24 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 0.48 0.22 -3.84 0.00 3.32 -1.45 -3.41 116.42 111.76 1i41 h ASP 253 Ca -0.48 -0.88 -0.32 0.00 0.02 0.00 0.00 57.03 55.37 1i41 h ASP 253 Cb 1.37 -0.07 -0.29 0.00 0.22 0.00 0.00 39.33 40.55 1i41 h ASP 253 CO 0.50 1.33 -0.75 -0.76 -1.72 0.00 0.00 179.24 177.85 1i41 s LEU 254 N -7.91 1.92 -0.07 1.55 1.43 -0.17 -4.21 118.68 111.22 1i41 s LEU 254 Ca -0.19 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1i41 s LEU 254 Cb 0.01 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 45.99 1i41 s LEU 254 CO 0.73 0.04 -0.17 0.54 0.23 0.00 0.00 176.35 177.73 1i41 s VAL 255 N 0.02 1.48 0.10 -1.59 0.11 -0.95 0.10 120.40 119.67 1i41 s VAL 255 Ca 0.00 -0.69 0.07 0.00 -2.93 0.00 0.00 61.98 58.43 1i41 s VAL 255 Cb -0.03 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 1i41 s VAL 255 CO -0.00 0.43 -0.17 -1.48 -3.33 0.00 0.00 175.10 170.55 1i41 s LEU 256 N 0.47 2.32 0.21 2.54 0.05 -0.53 -0.81 118.68 122.93 1i41 s LEU 256 Ca -0.15 -0.70 0.02 0.00 0.05 0.00 0.00 54.13 53.35 1i41 s LEU 256 Cb -0.16 -0.71 -0.05 0.00 -2.05 0.00 0.00 46.19 43.22 1i41 s LEU 256 CO 0.05 -0.03 0.01 -1.00 -0.55 0.00 0.00 176.35 174.84 1i41 s HIS 257 N -1.45 1.38 -0.75 3.48 3.76 0.37 -2.68 115.29 119.40 1i41 s HIS 257 Ca 0.05 -1.01 -0.03 0.00 -0.15 0.00 0.00 55.06 53.93 1i41 s HIS 257 Cb -0.09 -0.79 0.19 0.00 1.11 0.00 0.00 32.58 33.00 1i41 s HIS 257 CO 0.04 -0.17 0.60 0.45 -0.85 0.00 0.00 174.74 174.81 1i41 s SER 258 N -3.24 5.61 0.08 1.40 0.15 -1.26 -2.01 113.70 114.43 1i41 s SER 258 Ca 0.27 -3.22 0.03 0.00 0.70 0.00 0.00 55.95 53.73 1i41 s SER 258 Cb 0.06 -1.89 0.17 0.00 -1.71 0.00 0.00 66.02 62.65 1i41 s SER 258 CO 0.07 -0.30 0.91 0.00 1.20 0.00 0.00 173.24 175.12 1i41 n ALA 259 N 3.01 0.58 0.25 5.45 0.00 -0.28 -0.50 120.51 129.02 1i41 n ALA 259 Ca 0.14 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.69 1i41 n ALA 259 Cb 0.38 -0.62 0.62 0.00 0.00 0.00 0.00 19.45 19.83 1i41 n ALA 259 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i41 h THR 260 N 0.00 0.94 0.00 0.00 2.02 -1.75 -0.67 112.91 113.45 1i41 h THR 260 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1i41 h THR 260 Cb 0.48 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1i41 h THR 260 CO 0.00 0.10 0.00 0.29 0.37 0.00 0.00 175.52 176.28 1i41 n LYS 261 N -4.23 0.00 -0.01 6.66 4.76 0.35 -4.54 118.16 121.14 1i41 n LYS 261 Ca -0.03 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 1i41 n LYS 261 Cb 0.18 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.27 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 -0.06 -0.65 2.13 0.04 -1.76 -0.48 116.94 116.17 1i41 h PHE 262 Ca 0.00 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 1i41 h PHE 262 Cb 0.00 0.02 -0.12 0.00 2.20 0.00 0.00 35.95 38.05 1i41 h PHE 262 CO 0.00 0.54 -0.21 -0.07 -0.60 0.00 0.00 178.31 177.97 1i41 h LEU 263 N -0.74 -0.75 0.01 1.54 3.38 -1.84 0.50 115.31 117.41 1i41 h LEU 263 Ca -0.01 0.21 -0.27 0.00 0.09 0.00 0.00 57.88 57.90 1i41 h LEU 263 Cb 0.63 0.45 0.02 0.00 0.09 0.00 0.00 40.66 41.85 1i41 h LEU 263 CO 0.01 -0.24 -1.11 1.23 0.09 0.00 0.00 178.44 178.42 1i41 h GLY 264 N -0.04 0.64 -1.21 0.83 0.00 -1.25 -3.26 103.07 98.78 1i41 h GLY 264 Ca 0.30 -1.23 -0.14 0.00 0.00 0.00 0.00 47.33 46.27 1i41 h GLY 264 CO -0.69 1.08 -0.12 0.61 0.00 0.00 0.00 176.54 177.42 1i41 n GLY 265 N 1.19 0.63 0.00 4.60 0.00 0.16 -4.59 105.19 107.19 1i41 n GLY 265 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1i41 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i41 n HIS 266 N -1.39 0.00 -3.81 1.61 8.25 -1.26 -1.91 115.22 116.71 1i41 n HIS 266 Ca -0.07 -0.21 -0.26 0.00 -0.26 0.00 0.00 57.72 56.92 1i41 n HIS 266 Cb 0.27 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.38 1i41 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i41 n ASN 267 N -0.21 -3.04 -0.46 0.41 3.02 -1.26 -4.86 115.26 108.85 1i41 n ASN 267 Ca 0.00 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1i41 n ASN 267 Cb 0.28 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.95 0.00 -3.60 6.41 5.75 -1.26 -5.10 116.55 115.80 1i41 n ASP 268 Ca -0.13 -1.73 -0.12 0.00 -0.01 0.00 0.00 54.79 52.80 1i41 n ASP 268 Cb 0.60 -0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.48 1i41 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i41 s VAL 269 N 0.00 0.00 0.08 2.12 0.11 -1.26 -5.11 120.40 116.34 1i41 s VAL 269 Ca 0.00 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1i41 s VAL 269 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1i41 s VAL 269 CO 0.00 0.00 -0.04 -0.76 -3.33 0.00 0.00 175.10 170.97 1i41 s LEU 270 N -0.40 3.28 -0.29 2.54 1.43 -1.26 -4.36 118.68 119.61 1i41 s LEU 270 Ca -0.01 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 1i41 s LEU 270 Cb -0.03 -2.01 0.18 0.00 0.03 0.00 0.00 46.19 44.36 1i41 s LEU 270 CO 0.00 0.19 1.28 0.00 0.23 0.00 0.00 176.35 178.06 1i41 s ALA 271 N -1.23 -2.27 0.35 4.21 0.00 -1.17 -4.67 121.76 116.99 1i41 s ALA 271 Ca 0.23 1.83 0.05 0.00 0.00 0.00 0.00 51.96 54.06 1i41 s ALA 271 Cb -0.11 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1i41 s ALA 271 CO 0.15 -0.19 0.51 0.20 0.00 0.00 0.00 175.76 176.43 1i41 s GLY 272 N 0.39 1.53 -0.28 0.00 0.00 -1.04 -1.12 107.32 106.80 1i41 s GLY 272 Ca 0.02 -1.32 -0.20 0.00 0.00 0.00 0.00 44.72 43.22 1i41 s GLY 272 CO -0.13 -1.23 0.77 0.00 0.00 0.00 0.00 173.10 172.52 1i41 s ILE 274 N 1.04 0.07 0.18 0.00 1.01 -0.54 -0.48 121.20 122.49 1i41 s ILE 274 Ca -0.05 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1i41 s ILE 274 Cb -0.05 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1i41 s ILE 274 CO -0.11 0.13 -0.16 -0.44 0.00 0.00 0.00 174.94 174.36 1i41 s SER 275 N 1.14 2.56 0.00 3.58 0.01 0.01 -0.00 113.70 121.00 1i41 s SER 275 Ca -0.08 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1i41 s SER 275 Cb -0.13 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1i41 s SER 275 CO -0.02 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1i41 n GLY 276 N -0.08 -0.49 3.77 3.44 0.00 -0.67 -2.24 105.19 108.92 1i41 n GLY 276 Ca -0.10 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.95 3.82 0.08 1.61 0.04 -1.26 -1.72 135.00 135.61 1i41 s PRO 277 Ca 0.00 1.80 -0.33 0.00 0.04 0.00 0.00 61.00 62.51 1i41 s PRO 277 Cb 0.00 -2.47 -0.16 0.00 0.04 0.00 0.00 34.50 31.91 1i41 s PRO 277 CO 0.00 -0.51 1.51 1.25 0.04 0.00 0.00 177.00 179.29 1i41 h LEU 278 N 2.18 -1.26 -1.98 -3.56 6.46 -1.89 -0.07 115.31 115.18 1i41 h LEU 278 Ca -0.49 0.10 0.56 0.00 -0.12 0.00 0.00 57.88 57.92 1i41 h LEU 278 Cb 1.24 0.41 -0.08 0.00 -0.73 0.00 0.00 40.66 41.51 1i41 h LEU 278 CO 0.61 -0.62 1.38 0.50 -0.62 0.00 0.00 178.44 179.69 1i41 h LYS 279 N -0.94 0.00 0.00 1.25 3.64 -2.00 0.10 116.57 118.62 1i41 h LYS 279 Ca -0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1i41 h LYS 279 Cb 0.81 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1i41 h LYS 279 CO -0.04 0.00 -0.15 1.28 -2.27 0.00 0.00 179.45 178.27 1i41 n LEU 280 N -3.97 0.48 -0.34 5.20 4.77 -0.85 -4.12 117.00 118.18 1i41 n LEU 280 Ca 0.43 0.32 0.20 0.00 -0.03 0.00 0.00 56.01 56.93 1i41 n LEU 280 Cb 1.96 -0.60 0.41 0.00 -2.33 0.00 0.00 43.42 42.87 1i41 n LEU 280 CO 0.44 -0.49 1.13 1.62 -1.33 0.00 0.00 177.39 178.76 1i41 h VAL 281 N -0.26 0.43 -0.47 4.08 3.04 -0.61 0.63 116.25 123.09 1i41 h VAL 281 Ca 0.00 -0.16 0.06 0.00 -1.01 0.00 0.00 66.70 65.59 1i41 h VAL 281 Cb 0.15 -0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 29.31 1i41 h VAL 281 CO 0.00 0.08 0.18 0.77 -1.01 0.00 0.00 177.57 177.59 1i41 h SER 282 N 0.46 0.20 -0.51 3.17 4.64 -1.21 -0.02 113.55 120.27 1i41 h SER 282 Ca 0.67 0.05 0.15 0.00 -0.47 0.00 0.00 61.79 62.19 1i41 h SER 282 Cb 1.38 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.48 1i41 h SER 282 CO -0.54 0.15 0.41 -0.33 -0.87 0.00 0.00 176.83 175.65 1i41 h GLU 283 N 0.36 0.00 0.06 4.77 4.39 -1.02 -0.35 114.58 122.78 1i41 h GLU 283 Ca 0.22 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.81 1i41 h GLU 283 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1i41 h GLU 283 CO -0.21 0.00 -0.54 0.82 -1.16 0.00 0.00 179.01 177.92 1i41 h ILE 284 N 0.00 1.53 -1.05 3.13 2.04 -1.05 -3.27 117.51 118.85 1i41 h ILE 284 Ca 0.24 -2.40 0.28 0.00 1.00 0.00 0.00 64.86 63.98 1i41 h ILE 284 Cb 1.06 3.14 -0.11 0.00 -0.74 0.00 0.00 36.82 40.16 1i41 h ILE 284 CO -0.00 0.62 0.65 -0.09 0.00 0.00 0.00 178.15 179.33 1i41 h ARG 285 N -0.73 0.41 0.31 2.37 2.43 0.49 0.32 114.38 119.98 1i41 h ARG 285 Ca -0.11 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1i41 h ARG 285 Cb 1.31 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1i41 h ARG 285 CO 0.03 0.27 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.70 1i41 h ASN 286 N 0.43 -0.36 -0.06 -3.80 2.35 -1.22 -0.43 115.58 112.48 1i41 h ASN 286 Ca 0.64 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 56.29 1i41 h ASN 286 Cb 1.51 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.96 1i41 h ASN 286 CO -0.39 -0.17 -0.05 0.25 -1.65 0.00 0.00 177.43 175.42 1i41 h LEU 287 N -0.53 0.26 -0.96 1.61 5.85 -1.02 -2.17 115.31 118.36 1i41 h LEU 287 Ca -0.04 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1i41 h LEU 287 Cb 0.39 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1i41 h LEU 287 CO 0.07 0.36 0.38 -0.74 -0.34 0.00 0.00 178.44 178.17 1i41 h HIS 288 N 0.27 1.12 0.00 1.25 2.76 0.03 -1.21 115.15 119.38 1i41 h HIS 288 Ca 0.06 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1i41 h HIS 288 Cb 0.27 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1i41 h HIS 288 CO 0.00 0.81 0.00 0.72 -1.30 0.00 0.00 177.93 178.17 1i41 n HIS 289 N -4.32 0.00 -0.02 5.26 8.25 -0.22 -1.64 115.22 122.54 1i41 n HIS 289 Ca 0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1i41 n HIS 289 Cb 0.14 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 1i41 n HIS 289 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1i41 n ILE 290 N -0.95 0.17 0.28 1.59 5.41 -0.55 -4.59 119.36 120.72 1i41 n ILE 290 Ca 0.06 -0.04 0.18 0.00 1.00 0.00 0.00 62.75 63.94 1i41 n ILE 290 Cb 0.03 -1.50 0.91 0.00 -0.71 0.00 0.00 39.64 38.36 1i41 n ILE 290 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1i41 h LEU 291 N -0.11 0.00 -2.80 1.39 3.38 -1.16 -3.46 115.31 112.55 1i41 h LEU 291 Ca -0.08 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.52 1i41 h LEU 291 Cb 1.07 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.95 1i41 h LEU 291 CO -0.05 0.00 -0.90 0.61 0.09 0.00 0.00 178.44 178.19 1i41 n GLY 292 N -0.99 -0.98 1.41 0.83 0.00 -0.65 -4.92 105.19 99.89 1i41 n GLY 292 Ca -0.02 0.47 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.51 4.80 3.41 -0.02 0.00 -1.26 -5.04 105.19 105.56 1i41 n GLY 293 Ca -0.11 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.11 -1.78 -2.77 4.61 0.00 -1.26 -0.62 120.51 117.57 1i41 n ALA 294 Ca 0.39 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.34 1i41 n ALA 294 Cb 1.18 -1.74 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 1.47 4.32 0.28 0.00 2.96 -1.26 -4.35 118.68 122.10 1i41 s LEU 295 Ca 0.64 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.71 1i41 s LEU 295 Cb -0.41 -2.17 -0.10 0.00 0.50 0.00 0.00 46.19 44.01 1i41 s LEU 295 CO 0.59 0.29 1.27 0.21 -1.32 0.00 0.00 176.35 177.38 1i41 s ASN 296 N -0.40 6.91 0.15 3.68 3.84 -1.26 -4.89 114.94 122.97 1i41 s ASN 296 Ca 0.14 2.51 -0.25 0.00 0.21 0.00 0.00 52.86 55.47 1i41 s ASN 296 Cb -0.12 -2.63 0.02 0.00 -0.55 0.00 0.00 41.25 37.96 1i41 s ASN 296 CO 0.03 -0.45 1.59 -0.65 -2.79 0.00 0.00 177.10 174.83 1i41 h PRO 297 N 4.12 -0.32 -0.73 0.43 0.11 -1.95 -1.00 132.00 132.66 1i41 h PRO 297 Ca -0.47 0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.81 1i41 h PRO 297 Cb 1.22 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.26 1i41 h PRO 297 CO 0.70 -0.21 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.21 1i41 h ASN 298 N -0.33 -0.64 -0.17 -2.05 2.35 -1.92 0.40 115.58 113.23 1i41 h ASN 298 Ca 0.14 0.22 0.04 0.00 -0.55 0.00 0.00 56.30 56.14 1i41 h ASN 298 Cb 0.56 0.44 -0.04 0.00 0.05 0.00 0.00 38.32 39.34 1i41 h ASN 298 CO -0.49 -0.23 -0.06 0.00 -1.65 0.00 0.00 177.43 174.99 1i41 h ALA 299 N 1.73 0.09 -0.22 -0.83 0.00 -1.62 -1.21 119.26 117.20 1i41 h ALA 299 Ca 0.36 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1i41 h ALA 299 Cb 0.56 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1i41 h ALA 299 CO -0.74 -0.50 -0.43 0.00 0.00 0.00 0.00 179.25 177.58 1i41 h ALA 300 N 1.13 -0.56 -0.38 0.00 0.00 0.87 -1.69 119.26 118.64 1i41 h ALA 300 Ca 0.09 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1i41 h ALA 300 Cb 0.16 0.84 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1i41 h ALA 300 CO -0.19 -0.92 -0.13 -0.92 0.00 0.00 0.00 179.25 177.10 1i41 h TYR 301 N -0.44 -0.29 -0.93 0.00 3.20 -0.34 -0.07 116.97 118.10 1i41 h TYR 301 Ca 0.09 0.04 0.23 0.00 3.14 0.00 0.00 58.73 62.23 1i41 h TYR 301 Cb 0.61 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 1i41 h TYR 301 CO -0.54 -0.20 0.62 -0.07 -1.64 0.00 0.00 178.16 176.33 1i41 h LEU 302 N -0.04 0.34 -0.02 2.82 3.38 -0.34 0.27 115.31 121.72 1i41 h LEU 302 Ca 0.19 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1i41 h LEU 302 Cb 0.33 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1i41 h LEU 302 CO -0.41 0.12 -0.27 0.40 0.09 0.00 0.00 178.44 178.36 1i41 h ILE 303 N 0.33 1.51 -0.67 1.22 5.03 -0.43 -1.40 117.51 123.11 1i41 h ILE 303 Ca 0.49 -1.87 0.13 0.00 -0.12 0.00 0.00 64.86 63.48 1i41 h ILE 303 Cb 1.34 2.65 -0.09 0.00 -3.03 0.00 0.00 36.82 37.68 1i41 h ILE 303 CO -0.16 0.52 0.17 0.40 -0.68 0.00 0.00 178.15 178.39 1i41 h ILE 304 N -0.41 0.60 -0.73 -0.67 2.04 0.27 0.48 117.51 119.08 1i41 h ILE 304 Ca -0.03 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1i41 h ILE 304 Cb 0.99 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1i41 h ILE 304 CO 0.05 0.05 0.34 -0.09 0.00 0.00 0.00 178.15 178.50 1i41 h ARG 305 N 0.29 1.06 -0.43 2.37 2.43 -0.54 -2.50 114.38 117.06 1i41 h ARG 305 Ca 0.36 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1i41 h ARG 305 Cb 0.56 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1i41 h ARG 305 CO -0.44 0.84 -0.19 0.78 -1.51 0.00 0.00 179.97 179.46 1i41 h GLY 306 N 1.03 0.90 2.00 2.80 0.00 0.33 -2.47 103.07 107.66 1i41 h GLY 306 Ca 0.25 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1i41 h GLY 306 CO -0.03 0.69 0.00 1.03 0.00 0.00 0.00 176.54 178.23 1i41 n MET 307 N -4.12 0.01 0.25 4.80 2.81 0.14 -2.14 117.12 118.86 1i41 n MET 307 Ca 0.01 0.25 0.08 0.00 -1.81 0.00 0.00 57.70 56.23 1i41 n MET 307 Cb 0.42 -1.52 0.62 0.00 -0.71 0.00 0.00 33.22 32.03 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 -0.57 0.03 1.79 -1.01 -2.54 116.57 114.27 1i41 h LYS 308 Ca 0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.06 1i41 h LYS 308 Cb 0.27 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 30.55 1i41 h LYS 308 CO 0.00 0.12 -0.83 0.25 -1.08 0.00 0.00 179.45 177.90 1i41 n THR 309 N -4.18 2.20 0.34 -0.16 -2.24 -0.91 -4.62 114.28 104.71 1i41 n THR 309 Ca -0.03 -3.77 -0.16 0.00 -2.27 0.00 0.00 64.05 57.83 1i41 n THR 309 Cb 0.19 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 1i41 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i41 h LEU 310 N 2.04 -0.74 0.09 3.22 5.85 -1.47 -2.79 115.31 121.51 1i41 h LEU 310 Ca 0.22 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1i41 h LEU 310 Cb 1.43 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.61 1i41 h LEU 310 CO 0.54 -0.41 -0.39 1.12 -0.34 0.00 0.00 178.44 178.95 1i41 h HIS 311 N -1.08 -1.09 -0.78 1.25 2.07 -1.89 -0.73 115.15 112.90 1i41 h HIS 311 Ca -0.09 0.03 0.18 0.00 -2.85 0.00 0.00 60.37 57.64 1i41 h HIS 311 Cb 0.71 0.47 -0.13 0.00 2.57 0.00 0.00 27.41 31.03 1i41 h HIS 311 CO -0.00 -0.49 0.04 -0.07 -3.07 0.00 0.00 177.93 174.34 1i41 h LEU 312 N -0.61 -0.30 -0.21 6.12 3.38 -1.94 0.28 115.31 122.03 1i41 h LEU 312 Ca 0.03 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1i41 h LEU 312 Cb 0.65 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1i41 h LEU 312 CO -0.25 -0.18 -0.03 0.03 0.09 0.00 0.00 178.44 178.11 1i41 h ARG 313 N 0.12 0.39 0.59 1.13 3.08 -1.14 -2.71 114.38 115.84 1i41 h ARG 313 Ca 0.44 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 1i41 h ARG 313 Cb 0.79 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1i41 h ARG 313 CO -0.67 0.62 -0.30 0.28 -1.07 0.00 0.00 179.97 178.82 1i41 h VAL 314 N 0.13 0.39 -0.95 2.04 2.07 0.21 -1.49 116.25 118.65 1i41 h VAL 314 Ca 0.06 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.68 1i41 h VAL 314 Cb 0.46 0.39 -0.13 0.00 -1.52 0.00 0.00 31.29 30.49 1i41 h VAL 314 CO 0.02 0.00 -0.52 1.56 0.02 0.00 0.00 177.57 178.64 1i41 h GLN 315 N -0.82 -0.03 -0.50 1.57 4.20 -0.52 0.77 115.11 119.77 1i41 h GLN 315 Ca -0.08 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1i41 h GLN 315 Cb 0.64 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1i41 h GLN 315 CO 0.12 -0.02 0.29 0.37 -0.67 0.00 0.00 178.83 178.92 1i41 h GLN 316 N -0.03 0.55 -0.54 1.46 5.75 -1.37 -2.67 115.11 118.25 1i41 h GLN 316 Ca 0.21 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.59 1i41 h GLN 316 Cb 0.48 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1i41 h GLN 316 CO -0.92 0.37 -0.02 1.96 -2.65 0.00 0.00 178.83 177.56 1i41 h GLN 317 N 0.57 0.95 -0.94 1.69 4.20 0.32 -2.15 115.11 119.76 1i41 h GLN 317 Ca 0.21 -0.29 0.07 0.00 0.06 0.00 0.00 58.65 58.69 1i41 h GLN 317 Cb 0.05 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 1i41 h GLN 317 CO -0.11 0.95 0.61 -0.91 -0.67 0.00 0.00 178.83 178.70 1i41 h ASN 318 N 0.87 0.94 0.00 1.46 2.35 0.72 -2.23 115.58 119.69 1i41 h ASN 318 Ca 0.16 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1i41 h ASN 318 Cb 0.54 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1i41 h ASN 318 CO 0.03 0.60 0.00 -1.20 -1.65 0.00 0.00 177.43 175.21 1i41 n SER 319 N -4.50 0.00 -0.08 5.81 7.64 -1.04 -2.78 113.62 118.68 1i41 n SER 319 Ca 0.15 0.18 -0.01 0.00 1.01 0.00 0.00 58.87 60.20 1i41 n SER 319 Cb 0.21 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1i41 n SER 319 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i41 n THR 320 N -0.49 -0.12 0.01 0.44 -1.04 -0.84 0.64 114.28 112.89 1i41 n THR 320 Ca 0.00 0.46 -0.03 0.00 -2.04 0.00 0.00 64.05 62.44 1i41 n THR 320 Cb 0.00 -0.59 -0.02 0.00 -1.82 0.00 0.00 70.33 67.91 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 0.17 -0.59 -0.52 2.41 0.00 -1.54 0.48 119.26 119.67 1i41 h ALA 321 Ca 0.05 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1i41 h ALA 321 Cb 0.10 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1i41 h ALA 321 CO -0.19 -0.62 -0.46 1.25 0.00 0.00 0.00 179.25 179.24 1i41 h LEU 322 N -0.11 -1.60 -0.27 0.00 5.85 0.39 0.76 115.31 120.32 1i41 h LEU 322 Ca 0.00 0.22 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1i41 h LEU 322 Cb 0.12 0.68 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1i41 h LEU 322 CO -0.05 -0.27 -0.16 0.03 -0.34 0.00 0.00 178.44 177.65 1i41 h ARG 323 N -0.19 -0.13 -0.90 1.25 3.08 -1.14 -0.68 114.38 115.67 1i41 h ARG 323 Ca 0.09 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1i41 h ARG 323 Cb 0.42 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1i41 h ARG 323 CO -0.59 -0.09 0.59 0.52 -1.07 0.00 0.00 179.97 179.33 1i41 h MET 324 N -0.13 1.02 0.33 0.04 2.86 0.10 -2.05 114.93 117.10 1i41 h MET 324 Ca 0.15 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1i41 h MET 324 Cb 0.35 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1i41 h MET 324 CO -0.35 0.67 -0.30 0.00 1.06 0.00 0.00 176.91 177.99 1i41 h ALA 325 N 1.50 -1.01 -0.72 6.32 0.00 0.20 -0.18 119.26 125.36 1i41 h ALA 325 Ca 0.38 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.33 1i41 h ALA 325 Cb 0.16 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 1i41 h ALA 325 CO -0.14 -1.02 -0.07 0.93 0.00 0.00 0.00 179.25 178.95 1i41 h GLU 326 N -0.62 0.06 -0.88 0.00 5.08 -1.08 0.52 114.58 117.66 1i41 h GLU 326 Ca -0.04 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1i41 h GLU 326 Cb 0.53 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1i41 h GLU 326 CO -0.02 0.04 0.57 0.82 -1.00 0.00 0.00 179.01 179.42 1i41 h ILE 327 N 0.06 1.02 -0.10 3.13 2.04 -1.06 -1.90 117.51 120.71 1i41 h ILE 327 Ca 0.38 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1i41 h ILE 327 Cb 0.63 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1i41 h ILE 327 CO -0.68 0.17 -0.09 -0.07 0.00 0.00 0.00 178.15 177.48 1i41 h LEU 328 N 0.94 0.25 -1.09 1.44 3.38 0.18 -2.35 115.31 118.05 1i41 h LEU 328 Ca 0.39 -0.47 0.14 0.00 0.09 0.00 0.00 57.88 58.03 1i41 h LEU 328 Cb 0.30 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1i41 h LEU 328 CO -0.16 0.67 0.61 -0.08 0.09 0.00 0.00 178.44 179.58 1i41 h GLU 329 N -0.17 0.86 0.00 1.13 4.81 -0.45 0.11 114.58 120.86 1i41 h GLU 329 Ca 0.02 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1i41 h GLU 329 Cb 0.59 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1i41 h GLU 329 CO 0.02 0.57 -0.27 0.00 -0.73 0.00 0.00 179.01 178.59 1i41 h ALA 330 N 1.57 0.92 -2.93 2.92 0.00 -1.31 -3.45 119.26 116.98 1i41 h ALA 330 Ca 0.49 -0.25 -0.54 0.00 0.00 0.00 0.00 54.91 54.62 1i41 h ALA 330 Cb 0.61 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 18.45 1i41 h ALA 330 CO -0.26 0.34 0.77 -1.58 0.00 0.00 0.00 179.25 178.52 1i41 s HIS 331 N -3.42 2.64 0.23 0.00 5.65 0.37 -4.92 115.29 115.85 1i41 s HIS 331 Ca 0.02 1.17 0.01 0.00 0.25 0.00 0.00 55.06 56.51 1i41 s HIS 331 Cb 0.09 -3.99 0.25 0.00 -1.18 0.00 0.00 32.58 27.74 1i41 s HIS 331 CO 0.67 -2.91 1.59 -1.00 -0.65 0.00 0.00 174.74 172.44 1i41 h PRO 332 N 3.16 0.45 0.00 2.88 0.13 -1.87 -3.02 132.00 133.72 1i41 h PRO 332 Ca -0.50 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1i41 h PRO 332 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1i41 h PRO 332 CO 0.65 0.82 0.00 1.63 -0.23 0.00 0.00 178.00 180.88 1i41 n LYS 333 N -3.99 0.35 -3.25 0.86 5.02 -1.26 -4.63 118.16 111.26 1i41 n LYS 333 Ca -0.02 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.83 1i41 n LYS 333 Cb 0.54 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 1i41 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i41 s VAL 334 N -2.65 5.01 0.12 -0.18 1.01 -1.14 -0.72 120.40 121.84 1i41 s VAL 334 Ca 0.26 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1i41 s VAL 334 Cb 0.20 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1i41 s VAL 334 CO 0.47 -0.65 1.60 -0.09 0.00 0.00 0.00 175.10 176.43 1i41 h ARG 335 N 8.87 0.64 -2.65 2.72 2.43 -1.56 -3.46 114.38 121.38 1i41 h ARG 335 Ca -0.27 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 58.64 1i41 h ARG 335 Cb 1.10 -0.07 -0.19 0.00 -0.42 0.00 0.00 29.97 30.39 1i41 h ARG 335 CO 0.90 0.70 -0.07 -1.58 -1.51 0.00 0.00 179.97 178.40 1i41 s HIS 336 N -5.19 -0.37 -0.04 2.20 5.04 -1.09 -4.97 115.29 110.86 1i41 s HIS 336 Ca -0.13 0.58 0.01 0.00 -1.54 0.00 0.00 55.06 53.99 1i41 s HIS 336 Cb 0.10 0.24 0.02 0.00 0.04 0.00 0.00 32.58 32.97 1i41 s HIS 336 CO 0.77 -0.50 -0.05 0.08 -2.34 0.00 0.00 174.74 172.70 1i41 s VAL 337 N -1.46 0.59 -0.19 0.89 1.01 -1.26 -0.56 120.40 119.42 1i41 s VAL 337 Ca -0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1i41 s VAL 337 Cb -0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1i41 s VAL 337 CO 0.05 0.23 0.02 -0.31 0.00 0.00 0.00 175.10 175.09 1i41 s TYR 338 N 0.79 3.11 -0.30 5.22 1.51 0.15 -4.83 117.35 123.00 1i41 s TYR 338 Ca -0.11 -0.22 -0.20 0.00 -1.01 0.00 0.00 57.07 55.54 1i41 s TYR 338 Cb -0.14 -2.06 0.20 0.00 -0.11 0.00 0.00 41.96 39.85 1i41 s TYR 338 CO 0.01 -0.05 1.30 -0.47 -1.11 0.00 0.00 175.55 175.23 1i41 s TYR 339 N 0.66 -0.04 0.57 2.71 5.04 -1.26 -2.86 117.35 122.17 1i41 s TYR 339 Ca 0.01 0.07 0.29 0.00 -2.44 0.00 0.00 57.07 55.00 1i41 s TYR 339 Cb -0.14 0.02 1.46 0.00 0.35 0.00 0.00 41.96 43.65 1i41 s TYR 339 CO 0.02 -0.02 1.88 -1.35 -1.34 0.00 0.00 175.55 174.74 1i41 h PRO 340 N 7.11 0.00 -0.69 4.97 0.11 -1.87 -1.15 132.00 140.48 1i41 h PRO 340 Ca -0.13 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.90 1i41 h PRO 340 Cb 1.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1i41 h PRO 340 CO 0.04 0.00 0.13 0.78 -0.21 0.00 0.00 178.00 178.74 1i41 h GLY 341 N 0.00 1.21 -1.46 -0.55 0.00 -1.94 -3.42 103.07 96.92 1i41 h GLY 341 Ca 0.29 -0.79 -0.52 0.00 0.00 0.00 0.00 47.33 46.30 1i41 h GLY 341 CO -0.00 0.74 0.31 1.08 0.00 0.00 0.00 176.54 178.66 1i41 s LEU 342 N -9.49 3.07 0.37 3.11 1.43 -0.44 -4.94 118.68 111.80 1i41 s LEU 342 Ca -0.12 2.14 0.22 0.00 -1.03 0.00 0.00 54.13 55.34 1i41 s LEU 342 Cb 0.14 -4.56 0.24 0.00 0.03 0.00 0.00 46.19 42.05 1i41 s LEU 342 CO 0.85 -2.50 1.46 1.56 0.23 0.00 0.00 176.35 177.95 1i41 h GLN 343 N -1.10 0.00 0.00 1.70 4.20 -1.86 -3.24 115.11 114.81 1i41 h GLN 343 Ca -0.45 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 1i41 h GLN 343 Cb 1.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 1i41 h GLN 343 CO 0.47 0.02 -0.01 0.66 -0.67 0.00 0.00 178.83 179.30 1i41 h SER 344 N 0.00 0.00 -3.14 1.46 4.64 -1.92 -3.45 113.55 111.14 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 1.02 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.15 1i41 h SER 344 CO 0.00 0.01 0.76 -2.28 -0.87 0.00 0.00 176.83 174.45 1i41 s HIS 345 N -3.53 3.14 0.26 4.77 5.04 -1.22 -4.93 115.29 118.81 1i41 s HIS 345 Ca 0.03 0.95 -0.06 0.00 -1.54 0.00 0.00 55.06 54.43 1i41 s HIS 345 Cb 0.08 -3.77 0.47 0.00 0.04 0.00 0.00 32.58 29.40 1i41 s HIS 345 CO 0.58 -2.63 1.62 -1.35 -2.34 0.00 0.00 174.74 170.62 1i41 h PRO 346 N 6.00 0.06 -0.62 2.88 0.11 -1.92 -1.80 132.00 136.71 1i41 h PRO 346 Ca -0.44 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.40 1i41 h PRO 346 Cb 1.21 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 1i41 h PRO 346 CO 0.83 0.04 0.23 -0.85 -0.21 0.00 0.00 178.00 178.05 1i41 n GLU 347 N -5.41 2.51 -0.35 1.05 0.00 -1.26 -4.67 120.64 112.51 1i41 n GLU 347 Ca 0.15 -3.07 0.12 0.00 0.00 0.00 0.00 57.16 54.35 1i41 n GLU 347 Cb 0.50 -2.02 0.30 0.00 0.00 0.00 0.00 31.44 30.22 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 1.47 1.04 -0.67 -1.84 2.76 -1.57 0.16 115.15 116.49 1i41 h HIS 348 Ca 0.33 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.51 1i41 h HIS 348 Cb 2.16 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 30.77 1i41 h HIS 348 CO 1.20 0.24 0.31 1.12 -1.30 0.00 0.00 177.93 179.50 1i41 h HIS 349 N 0.76 0.97 -0.02 5.26 2.07 -1.83 0.16 115.15 122.51 1i41 h HIS 349 Ca 0.56 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 58.02 1i41 h HIS 349 Cb 0.83 -0.30 -0.00 0.00 2.57 0.00 0.00 27.41 30.51 1i41 h HIS 349 CO -0.02 0.72 -0.03 0.82 -3.07 0.00 0.00 177.93 176.35 1i41 h ILE 350 N 0.96 1.41 -0.58 6.12 2.04 -1.15 -2.13 117.51 124.18 1i41 h ILE 350 Ca 0.23 -1.25 0.09 0.00 1.00 0.00 0.00 64.86 64.93 1i41 h ILE 350 Cb 0.13 2.20 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1i41 h ILE 350 CO -0.03 0.33 0.20 0.00 0.00 0.00 0.00 178.15 178.65 1i41 h ALA 351 N 0.50 0.73 0.00 1.87 0.00 -0.64 0.32 119.26 122.04 1i41 h ALA 351 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1i41 h ALA 351 Cb 0.55 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1i41 h ALA 351 CO 0.01 -0.22 -0.07 -0.22 0.00 0.00 0.00 179.25 178.74 1i41 h LYS 352 N 0.37 0.00 0.00 0.00 3.64 -0.63 0.65 116.57 120.60 1i41 h LYS 352 Ca 0.29 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.46 1i41 h LYS 352 Cb 0.37 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1i41 h LYS 352 CO -0.31 0.07 -1.36 -0.22 -2.27 0.00 0.00 179.45 175.37 1i41 h LYS 353 N 0.00 0.00 0.00 1.90 3.64 0.23 -3.40 116.57 118.94 1i41 h LYS 353 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i41 h LYS 353 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1i41 h LYS 353 CO 0.01 0.49 -0.58 0.00 -2.27 0.00 0.00 179.45 177.10 1i41 n GLN 354 N -3.05 3.57 -3.76 1.90 10.64 0.08 -5.04 117.38 121.72 1i41 n GLN 354 Ca -0.10 -0.02 -0.23 0.00 -1.83 0.00 0.00 57.00 54.83 1i41 n GLN 354 Cb 0.92 -0.90 -0.03 0.00 -0.86 0.00 0.00 30.24 29.36 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 -1.85 2.38 0.00 2.61 -1.94 0.20 -4.57 119.30 116.14 1i41 s MET 355 Ca 0.01 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.25 1i41 s MET 355 Cb 0.05 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.67 1i41 s MET 355 CO 0.27 -0.31 0.06 0.25 -0.01 0.00 0.00 175.02 175.28 1i41 n THR 356 N -1.56 0.00 -3.94 2.05 -2.24 -0.34 -4.78 114.28 103.47 1i41 n THR 356 Ca 0.01 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 1i41 n THR 356 Cb 0.63 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.94 1i41 n THR 356 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1i41 s GLY 357 N -0.41 0.53 -0.22 3.38 0.00 -1.26 -5.03 107.32 104.31 1i41 s GLY 357 Ca 0.00 -0.83 0.14 0.00 0.00 0.00 0.00 44.72 44.03 1i41 s GLY 357 CO 0.00 -0.49 1.18 0.69 0.00 0.00 0.00 173.10 174.47 1i41 n PHE 358 N -0.47 1.29 -4.49 1.90 3.72 -1.26 -4.92 117.46 113.23 1i41 n PHE 358 Ca -0.03 -1.75 0.00 0.00 -0.05 0.00 0.00 57.45 55.62 1i41 n PHE 358 Cb 0.61 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 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 -0.61 -0.72 0.00 1.37 0.00 -1.26 -4.59 105.19 99.38 1i41 n GLY 359 Ca 0.24 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 -0.21 3.75 -0.02 0.00 -1.26 -3.64 105.19 103.80 1i41 n GLY 360 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1i41 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 361 N -0.11 3.48 -0.06 4.61 0.00 -1.26 -2.11 121.76 126.31 1i41 s ALA 361 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1i41 s ALA 361 Cb 0.00 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1i41 s ALA 361 CO 0.00 0.11 -0.02 0.08 0.00 0.00 0.00 175.76 175.93 1i41 s VAL 362 N 0.07 0.49 0.02 0.00 1.01 0.77 -4.93 120.40 117.84 1i41 s VAL 362 Ca 0.30 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1i41 s VAL 362 Cb -0.17 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1i41 s VAL 362 CO 0.15 0.25 -0.00 -0.44 0.00 0.00 0.00 175.10 175.06 1i41 s SER 363 N 1.49 5.05 -0.24 3.32 0.01 -1.13 0.35 113.70 122.55 1i41 s SER 363 Ca -0.02 -0.06 -0.26 0.00 1.31 0.00 0.00 55.95 56.92 1i41 s SER 363 Cb -0.13 -1.28 0.09 0.00 0.21 0.00 0.00 66.02 64.91 1i41 s SER 363 CO -0.03 0.25 0.85 0.72 0.41 0.00 0.00 173.24 175.44 1i41 s PHE 364 N -1.14 -0.63 0.01 2.43 -0.71 0.10 0.29 117.98 118.33 1i41 s PHE 364 Ca 0.21 1.48 -0.19 0.00 -1.04 0.00 0.00 56.93 57.39 1i41 s PHE 364 Cb -0.12 0.33 -0.06 0.00 -1.21 0.00 0.00 43.02 41.97 1i41 s PHE 364 CO 0.12 -0.35 0.55 -1.21 -1.34 0.00 0.00 175.22 172.99 1i41 s GLU 365 N 0.06 4.22 0.01 1.99 2.02 0.27 -0.84 118.70 126.45 1i41 s GLU 365 Ca -0.00 0.67 -0.07 0.00 0.02 0.00 0.00 54.97 55.59 1i41 s GLU 365 Cb -0.04 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 1i41 s GLU 365 CO -0.01 0.49 0.27 0.08 0.02 0.00 0.00 175.26 176.12 1i41 s VAL 366 N -0.57 5.29 -1.00 2.63 1.01 -1.19 -1.61 120.40 124.96 1i41 s VAL 366 Ca 0.29 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 1i41 s VAL 366 Cb -0.18 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1i41 s VAL 366 CO 0.17 0.36 1.93 -0.67 0.00 0.00 0.00 175.10 176.88 1i41 n ASP 367 N 1.09 2.97 0.00 3.32 2.03 0.10 -4.68 116.55 121.38 1i41 n ASP 367 Ca -0.11 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1i41 n ASP 367 Cb 0.53 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 5.07 1.49 0.00 0.27 0.00 -1.26 -5.02 105.19 105.73 1i41 n GLY 368 Ca 0.48 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1i41 n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i41 n ASP 369 N 0.00 1.62 0.00 1.61 5.75 -1.26 -4.74 116.55 119.53 1i41 n ASP 369 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 1i41 n ASP 369 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1i41 n ASP 369 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1i41 n LEU 370 N 0.00 0.00 -0.35 -2.12 -0.00 -1.26 -0.10 117.00 113.17 1i41 n LEU 370 Ca 0.00 0.68 0.23 0.00 -0.00 0.00 0.00 56.01 56.93 1i41 n LEU 370 Cb 0.00 -0.18 0.49 0.00 -0.00 0.00 0.00 43.42 43.72 1i41 n LEU 370 CO 0.00 -0.18 1.19 -0.07 -0.00 0.00 0.00 177.39 178.32 1i41 h LEU 371 N 0.00 0.50 0.32 -1.96 -0.00 -1.98 0.05 115.31 112.24 1i41 h LEU 371 Ca 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.99 1i41 h LEU 371 Cb 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1i41 h LEU 371 CO 0.00 0.02 -0.15 0.74 -0.00 0.00 0.00 178.44 179.04 1i41 h THR 372 N 0.40 0.62 -0.68 0.22 2.02 -1.78 -0.85 112.91 112.85 1i41 h THR 372 Ca 0.66 -0.67 0.13 0.00 0.77 0.00 0.00 66.41 67.30 1i41 h THR 372 Cb 1.59 0.93 -0.09 0.00 -1.74 0.00 0.00 68.15 68.84 1i41 h THR 372 CO -0.42 0.12 0.20 0.74 0.37 0.00 0.00 175.52 176.53 1i41 h THR 373 N -0.84 0.62 -0.41 3.16 2.02 0.29 0.74 112.91 118.49 1i41 h THR 373 Ca -0.04 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.09 1i41 h THR 373 Cb 0.52 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 1i41 h THR 373 CO 0.07 0.06 0.08 0.00 0.37 0.00 0.00 175.52 176.10 1i41 h ALA 374 N 1.53 0.44 -0.91 6.16 0.00 -0.95 0.30 119.26 125.83 1i41 h ALA 374 Ca 0.37 0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.53 1i41 h ALA 374 Cb 0.57 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1i41 h ALA 374 CO -0.42 -0.32 0.59 -0.22 0.00 0.00 0.00 179.25 178.87 1i41 h LYS 375 N 0.21 0.59 0.00 0.00 3.64 0.61 -0.63 116.57 120.98 1i41 h LYS 375 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1i41 h LYS 375 Cb 0.24 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1i41 h LYS 375 CO -0.26 0.39 0.00 0.34 -2.27 0.00 0.00 179.45 177.65 1i41 n PHE 376 N -4.58 0.00 -0.33 1.91 7.35 0.06 -2.20 117.46 119.67 1i41 n PHE 376 Ca 0.19 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 57.09 1i41 n PHE 376 Cb 0.56 -0.39 0.43 0.00 0.35 0.00 0.00 39.48 40.44 1i41 n PHE 376 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1i41 h VAL 377 N 0.00 0.34 -0.09 -2.13 -1.51 -1.20 0.76 116.25 112.42 1i41 h VAL 377 Ca 0.00 -0.12 0.03 0.00 -1.23 0.00 0.00 66.70 65.38 1i41 h VAL 377 Cb 0.00 -0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.12 1i41 h VAL 377 CO 0.00 0.06 0.07 0.44 -1.23 0.00 0.00 177.57 176.91 1i41 h ASP 378 N 0.35 0.00 0.85 4.19 5.19 -1.06 -1.42 116.42 124.51 1i41 h ASP 378 Ca 0.69 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.94 1i41 h ASP 378 Cb 1.52 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.01 1i41 h ASP 378 CO -0.59 0.00 -0.75 0.00 -3.12 0.00 0.00 179.24 174.77 1i41 h ALA 379 N 1.95 0.70 -2.38 3.45 0.00 0.10 -3.46 119.26 119.62 1i41 h ALA 379 Ca 0.04 -0.69 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 1i41 h ALA 379 Cb 0.17 -0.12 0.10 0.00 0.00 0.00 0.00 17.79 17.95 1i41 h ALA 379 CO -0.00 0.94 0.45 1.28 0.00 0.00 0.00 179.25 181.93 1i41 n LEU 380 N -3.56 3.12 -0.05 0.00 4.77 -0.54 -4.78 117.00 115.97 1i41 n LEU 380 Ca -0.00 1.19 -0.03 0.00 -0.03 0.00 0.00 56.01 57.14 1i41 n LEU 380 Cb 0.75 -1.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.31 1i41 n LEU 380 CO 0.44 -0.66 -0.85 0.29 -1.33 0.00 0.00 177.39 175.28 1i41 n LYS 381 N 0.87 1.53 -0.09 3.23 4.76 -1.26 -4.81 118.16 122.38 1i41 n LYS 381 Ca 0.07 -0.04 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 1i41 n LYS 381 Cb 0.34 -1.33 -0.07 0.00 -1.84 0.00 0.00 35.03 32.14 1i41 n LYS 381 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1i41 h ILE 382 N 0.00 0.52 -4.12 -0.18 2.04 -1.96 -3.48 117.51 110.32 1i41 h ILE 382 Ca -0.25 -1.65 -0.52 0.00 1.00 0.00 0.00 64.86 63.43 1i41 h ILE 382 Cb 1.48 1.24 0.11 0.00 -0.74 0.00 0.00 36.82 38.90 1i41 h ILE 382 CO 0.01 0.18 0.44 -2.16 0.00 0.00 0.00 178.15 176.61 1i41 s PRO 383 N -2.29 2.93 -0.00 2.37 0.04 -1.26 -4.72 135.00 132.06 1i41 s PRO 383 Ca -0.22 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.37 1i41 s PRO 383 Cb 0.04 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1i41 s PRO 383 CO 0.42 -1.21 0.41 0.71 0.04 0.00 0.00 177.00 177.37 1i41 s TYR 384 N -1.81 3.73 -0.70 0.56 2.02 0.31 -4.82 117.35 116.64 1i41 s TYR 384 Ca 0.74 1.00 -0.25 0.00 -0.37 0.00 0.00 57.07 58.19 1i41 s TYR 384 Cb -0.27 -2.30 0.05 0.00 -0.40 0.00 0.00 41.96 39.04 1i41 s TYR 384 CO 0.35 0.63 1.13 0.42 -1.57 0.00 0.00 175.55 176.50 1i41 s ILE 385 N -1.04 4.02 0.09 2.71 1.01 -1.26 -1.24 121.20 125.49 1i41 s ILE 385 Ca 0.24 0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.69 1i41 s ILE 385 Cb -0.17 -4.80 0.08 0.00 0.01 0.00 0.00 42.46 37.59 1i41 s ILE 385 CO 0.13 -1.65 1.00 0.00 0.00 0.00 0.00 174.94 174.43 1i41 s ALA 386 N 4.92 -1.79 1.00 9.38 0.00 -0.92 -4.97 121.76 129.38 1i41 s ALA 386 Ca 0.29 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1i41 s ALA 386 Cb -0.12 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.53 1i41 s ALA 386 CO 0.13 -0.96 0.00 -2.30 0.00 0.00 0.00 175.76 172.63 1i41 n PRO 387 N -0.42 0.03 -1.24 0.00 -0.02 -1.26 -4.44 135.00 127.66 1i41 n PRO 387 Ca -0.07 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.58 1i41 n PRO 387 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.04 1i41 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i41 n SER 388 N -1.45 -7.38 0.00 2.55 2.88 -1.26 -4.96 113.62 104.00 1i41 n SER 388 Ca 0.00 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1i41 n SER 388 Cb 0.00 -3.86 0.00 0.00 -0.75 0.00 0.00 64.21 59.60 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 -3.90 0.00 0.00 0.66 1.16 -1.26 -4.93 117.46 109.18 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 0.57 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.44 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 0.50 3.93 4.97 0.00 -1.26 -4.19 105.19 109.13 1i41 n GLY 390 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.93 1.59 0.29 -0.02 0.00 -1.26 -4.37 107.32 101.63 1i41 s GLY 391 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1i41 s GLY 391 CO 0.00 -0.58 1.76 0.00 0.00 0.00 0.00 173.10 174.28 1i41 s GLU 393 N -5.88 4.48 0.32 0.00 8.01 -1.26 0.12 118.70 124.49 1i41 s GLU 393 Ca -0.11 2.01 -0.24 0.00 0.01 0.00 0.00 54.97 56.64 1i41 s GLU 393 Cb 0.25 -3.15 -0.10 0.00 -4.31 0.00 0.00 34.13 26.82 1i41 s GLU 393 CO 0.79 -0.04 0.90 -1.12 0.01 0.00 0.00 175.26 175.80 1i41 s SER 394 N -0.47 7.23 0.02 -0.19 0.01 -1.26 -4.32 113.70 114.72 1i41 s SER 394 Ca 0.49 1.73 0.02 0.00 1.31 0.00 0.00 55.95 59.49 1i41 s SER 394 Cb -0.36 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.32 1i41 s SER 394 CO 0.45 -0.08 -0.06 -0.63 0.41 0.00 0.00 173.24 173.32 1i41 s ILE 395 N -1.67 0.46 0.04 1.44 1.01 -0.90 -0.53 121.20 121.05 1i41 s ILE 395 Ca 0.50 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1i41 s ILE 395 Cb -0.17 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 1i41 s ILE 395 CO 0.22 -0.19 -0.06 0.68 0.00 0.00 0.00 174.94 175.58 1i41 s VAL 396 N -0.88 0.45 0.06 2.92 -7.23 -0.37 -0.60 120.40 114.74 1i41 s VAL 396 Ca -0.06 -1.16 -0.26 0.00 -1.81 0.00 0.00 61.98 58.70 1i41 s VAL 396 Cb -0.07 -0.67 0.08 0.00 0.56 0.00 0.00 36.38 36.28 1i41 s VAL 396 CO 0.00 -0.48 0.72 1.51 -0.31 0.00 0.00 175.10 176.54 1i41 s ASP 397 N -1.75 -0.51 -0.91 4.85 -4.77 -1.11 -2.17 116.67 110.30 1i41 s ASP 397 Ca -0.09 0.14 -0.02 0.00 -3.30 0.00 0.00 52.55 49.28 1i41 s ASP 397 Cb -0.08 0.51 0.22 0.00 -1.09 0.00 0.00 42.92 42.49 1i41 s ASP 397 CO -0.01 -0.77 0.80 -1.58 0.70 0.00 0.00 175.17 174.31 1i41 s GLN 398 N -3.00 3.34 0.12 2.11 0.74 -1.26 -1.79 119.66 119.93 1i41 s GLN 398 Ca 0.00 -3.26 0.05 0.00 0.05 0.00 0.00 55.36 52.19 1i41 s GLN 398 Cb -0.01 -4.00 0.40 0.00 1.10 0.00 0.00 33.01 30.50 1i41 s GLN 398 CO -0.07 -1.26 0.56 -2.30 -0.55 0.00 0.00 175.29 171.67 1i41 n PRO 399 N 2.38 -0.02 -0.18 1.67 -0.02 -1.26 0.19 135.00 137.75 1i41 n PRO 399 Ca 0.21 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 1i41 n PRO 399 Cb 0.37 -0.87 0.06 0.00 -0.02 0.00 0.00 33.50 33.04 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 0.71 0.43 0.00 3.55 0.00 -1.84 -1.12 119.26 120.99 1i41 h ALA 400 Ca 0.27 0.20 -0.24 0.00 0.00 0.00 0.00 54.91 55.13 1i41 h ALA 400 Cb 0.66 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1i41 h ALA 400 CO -0.30 -0.42 -1.33 -0.89 0.00 0.00 0.00 179.25 176.31 1i41 n ILE 401 N -5.35 1.54 -0.35 0.00 5.41 0.50 -1.60 119.36 119.51 1i41 n ILE 401 Ca 0.06 -0.05 0.15 0.00 1.00 0.00 0.00 62.75 63.91 1i41 n ILE 401 Cb 0.30 -2.03 0.35 0.00 -0.71 0.00 0.00 39.64 37.56 1i41 n ILE 401 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1i41 h MET 402 N -0.98 0.64 0.00 0.38 4.05 -0.99 -3.23 114.93 114.80 1i41 h MET 402 Ca -0.37 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 58.95 1i41 h MET 402 Cb 1.33 -0.14 -0.14 0.00 -0.80 0.00 0.00 31.60 31.85 1i41 h MET 402 CO -0.22 0.42 -0.64 0.43 0.23 0.00 0.00 176.91 177.13 1i41 n SER 403 N -4.84 0.30 0.00 1.39 7.64 -0.45 -4.87 113.62 112.79 1i41 n SER 403 Ca 0.25 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 58.20 1i41 n SER 403 Cb 0.67 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.17 0.00 0.28 1.43 4.02 -1.06 -4.89 117.16 117.12 1i41 n TYR 404 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.00 1i41 n TYR 404 Cb 0.84 0.08 0.49 0.00 -0.02 0.00 0.00 39.34 40.73 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 0.67 1.23 -0.72 -0.00 -0.63 -1.47 117.44 116.53 1i41 n TRP 405 Ca 0.00 0.30 0.12 0.00 -0.00 0.00 0.00 57.50 57.93 1i41 n TRP 405 Cb 0.48 -0.99 0.65 0.00 -0.00 0.00 0.00 31.31 31.45 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 -2.15 0.00 -4.74 5.87 5.75 -1.26 -4.82 116.55 115.20 1i41 n ASP 406 Ca 0.01 -0.17 -0.23 0.00 -0.01 0.00 0.00 54.79 54.39 1i41 n ASP 406 Cb 0.13 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 39.91 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 -2.50 3.25 0.45 -2.12 1.43 -0.54 -5.13 118.68 113.51 1i41 s LEU 407 Ca 0.26 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 1i41 s LEU 407 Cb 0.17 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 1i41 s LEU 407 CO 0.37 -0.36 0.91 -0.94 0.23 0.00 0.00 176.35 176.56 1i41 s SER 408 N -3.87 6.73 0.41 2.29 1.04 -1.26 -4.83 113.70 114.21 1i41 s SER 408 Ca 0.39 1.51 0.22 0.00 0.48 0.00 0.00 55.95 58.55 1i41 s SER 408 Cb -0.02 -2.47 1.21 0.00 0.10 0.00 0.00 66.02 64.84 1i41 s SER 408 CO 0.23 -0.44 1.73 -0.61 0.98 0.00 0.00 173.24 175.13 1i41 h GLN 409 N 1.44 0.28 0.13 4.02 5.75 -1.98 0.57 115.11 125.33 1i41 h GLN 409 Ca -0.48 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1i41 h GLN 409 Cb 1.18 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1i41 h GLN 409 CO 0.62 0.18 -0.06 0.66 -2.65 0.00 0.00 178.83 177.58 1i41 h SER 410 N 0.29 -0.15 -0.00 -0.69 4.64 -2.00 -2.87 113.55 112.77 1i41 h SER 410 Ca 0.66 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1i41 h SER 410 Cb 1.84 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.97 1i41 h SER 410 CO -0.33 0.46 0.01 0.44 -0.87 0.00 0.00 176.83 176.54 1i41 h ASP 411 N -0.92 0.00 0.19 4.97 3.32 -1.54 -2.31 116.42 120.13 1i41 h ASP 411 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1i41 h ASP 411 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1i41 h ASP 411 CO 0.03 0.00 -0.09 0.03 -1.72 0.00 0.00 179.24 177.49 1i41 h ARG 412 N 0.00 -0.25 0.00 3.56 3.08 0.07 -2.97 114.38 117.87 1i41 h ARG 412 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1i41 h ARG 412 Cb 0.02 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1i41 h ARG 412 CO -0.00 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 1i41 n ALA 413 N -2.56 1.04 0.23 0.04 0.00 -0.93 -1.33 120.51 117.00 1i41 n ALA 413 Ca -0.08 0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1i41 n ALA 413 Cb 0.26 -1.30 0.69 0.00 0.00 0.00 0.00 19.45 19.10 1i41 n ALA 413 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1i41 h LYS 414 N 0.00 0.00 -1.14 0.00 3.64 -1.26 -2.82 116.57 114.99 1i41 h LYS 414 Ca 0.00 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.00 1i41 h LYS 414 Cb 0.00 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.43 1i41 h LYS 414 CO 0.00 0.00 -1.18 0.66 -2.27 0.00 0.00 179.45 176.66 1i41 n TYR 415 N -2.47 0.89 0.00 1.91 4.01 -0.44 -4.98 117.16 116.08 1i41 n TYR 415 Ca -0.02 -2.94 0.00 0.00 -0.16 0.00 0.00 57.90 54.78 1i41 n TYR 415 Cb 0.17 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 -0.01 0.30 3.56 2.72 0.00 -1.07 -4.88 105.19 105.82 1i41 n GLY 416 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1i41 n GLY 416 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i41 n ILE 417 N -1.07 0.08 -3.87 -0.61 2.08 -1.24 -4.93 119.36 109.80 1i41 n ILE 417 Ca 0.00 -0.62 -0.21 0.00 0.56 0.00 0.00 62.75 62.48 1i41 n ILE 417 Cb 0.00 -2.56 -0.02 0.00 -0.75 0.00 0.00 39.64 36.31 1i41 n ILE 417 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1i41 s MET 418 N 7.51 3.20 0.09 0.38 -1.94 -1.26 -3.74 119.30 123.54 1i41 s MET 418 Ca 1.01 -0.93 0.22 0.00 -1.71 0.00 0.00 55.69 54.29 1i41 s MET 418 Cb -0.32 -2.77 0.90 0.00 2.01 0.00 0.00 34.83 34.65 1i41 s MET 418 CO 0.32 0.31 1.69 -0.25 -0.01 0.00 0.00 175.02 177.08 1i41 n ASP 419 N -1.42 0.28 0.03 3.03 8.00 -1.26 -2.90 116.55 122.31 1i41 n ASP 419 Ca -0.06 0.55 -0.21 0.00 0.71 0.00 0.00 54.79 55.77 1i41 n ASP 419 Cb 0.58 -0.62 -0.14 0.00 -0.02 0.00 0.00 41.12 40.92 1i41 n ASP 419 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1i41 h ASN 420 N 0.00 0.48 -1.05 -2.24 4.21 -1.85 -3.38 115.58 111.76 1i41 h ASN 420 Ca 0.00 -0.90 -0.82 0.00 1.21 0.00 0.00 56.30 55.79 1i41 h ASN 420 Cb 0.42 -0.16 0.03 0.00 -1.12 0.00 0.00 38.32 37.50 1i41 h ASN 420 CO 0.00 1.79 0.36 -0.11 -1.29 0.00 0.00 177.43 178.18 1i41 n LEU 421 N -3.51 0.64 -4.05 1.61 7.94 -1.14 -3.17 117.00 115.32 1i41 n LEU 421 Ca -0.28 1.17 -0.23 0.00 -1.11 0.00 0.00 56.01 55.56 1i41 n LEU 421 Cb 1.06 -0.92 -0.16 0.00 0.53 0.00 0.00 43.42 43.93 1i41 n LEU 421 CO 0.47 -1.39 -0.46 -0.69 -1.11 0.00 0.00 177.39 174.21 1i41 s VAL 422 N 1.36 1.03 -0.34 1.96 1.01 -0.02 -4.31 120.40 121.10 1i41 s VAL 422 Ca 0.97 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 1i41 s VAL 422 Cb -1.34 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1i41 s VAL 422 CO 0.67 0.31 0.08 -0.60 0.00 0.00 0.00 175.10 175.57 1i41 s ARG 423 N 0.22 2.38 -0.31 2.72 3.52 -0.74 -0.72 118.95 126.01 1i41 s ARG 423 Ca -0.05 -1.38 -0.12 0.00 -0.13 0.00 0.00 55.73 54.05 1i41 s ARG 423 Cb -0.11 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1i41 s ARG 423 CO 0.01 -0.75 0.20 0.12 -0.81 0.00 0.00 175.30 174.08 1i41 s PHE 424 N 1.27 3.21 -0.78 5.12 2.19 0.16 -2.77 117.98 126.38 1i41 s PHE 424 Ca -0.01 -0.18 -0.13 0.00 0.33 0.00 0.00 56.93 56.94 1i41 s PHE 424 Cb -0.21 -2.42 0.20 0.00 -1.31 0.00 0.00 43.02 39.29 1i41 s PHE 424 CO -0.01 -0.31 0.71 0.45 1.83 0.00 0.00 175.22 177.89 1i41 s SER 425 N 1.71 6.57 0.19 6.13 0.15 0.23 -0.16 113.70 128.52 1i41 s SER 425 Ca 0.06 -2.61 -0.33 0.00 0.70 0.00 0.00 55.95 53.78 1i41 s SER 425 Cb -0.17 -2.18 -0.13 0.00 -1.71 0.00 0.00 66.02 61.84 1i41 s SER 425 CO 0.10 -0.58 1.67 0.49 1.20 0.00 0.00 173.24 176.11 1i41 n PHE 426 N 4.07 2.58 0.00 3.44 3.72 -0.90 -2.12 117.46 128.25 1i41 n PHE 426 Ca 0.10 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 1i41 n PHE 426 Cb 0.45 -2.62 0.00 0.00 -0.94 0.00 0.00 39.48 36.37 1i41 n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i41 n GLY 427 N 3.72 0.87 0.00 1.37 0.00 -1.26 -4.78 105.19 105.11 1i41 n GLY 427 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.77 1.61 0.31 0.12 -4.58 118.33 115.01 1i41 n VAL 428 Ca 0.00 -0.36 -0.33 0.00 -0.01 0.00 0.00 64.34 63.64 1i41 n VAL 428 Cb 0.00 1.20 0.13 0.00 -0.91 0.00 0.00 33.84 34.26 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 -0.20 -0.45 -1.74 5.55 4.71 -1.26 -4.84 120.64 122.41 1i41 n GLU 429 Ca 0.00 -0.09 -0.41 0.00 -0.01 0.00 0.00 57.16 56.65 1i41 n GLU 429 Cb 0.05 -1.87 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 1i41 n GLU 429 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1i41 n ASP 430 N -1.52 3.26 0.14 1.62 2.03 -1.26 -4.86 116.55 115.96 1i41 n ASP 430 Ca 0.06 1.20 -0.09 0.00 0.52 0.00 0.00 54.79 56.48 1i41 n ASP 430 Cb 0.54 -1.56 -0.05 0.00 -0.72 0.00 0.00 41.12 39.33 1i41 n ASP 430 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1i41 h PHE 431 N 2.65 -0.73 -0.92 -0.67 3.57 -1.99 -1.59 116.94 117.26 1i41 h PHE 431 Ca -0.49 0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.23 1i41 h PHE 431 Cb 1.26 0.29 -0.17 0.00 2.79 0.00 0.00 35.95 40.12 1i41 h PHE 431 CO 0.51 -0.34 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.71 1i41 h ASP 432 N -0.50 -0.65 -0.69 0.41 3.32 -1.99 0.80 116.42 117.13 1i41 h ASP 432 Ca -0.03 0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1i41 h ASP 432 Cb 0.44 0.51 -0.06 0.00 0.22 0.00 0.00 39.33 40.44 1i41 h ASP 432 CO -0.05 -0.30 0.38 0.44 -1.72 0.00 0.00 179.24 177.99 1i41 h ASP 433 N 0.02 0.55 0.31 6.45 3.32 -1.86 -0.61 116.42 124.60 1i41 h ASP 433 Ca 0.49 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.56 1i41 h ASP 433 Cb 0.88 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1i41 h ASP 433 CO -0.90 0.35 -0.15 -0.07 -1.72 0.00 0.00 179.24 176.75 1i41 h LEU 434 N 0.69 -0.35 -0.32 1.55 3.38 0.15 -2.85 115.31 117.55 1i41 h LEU 434 Ca 0.32 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1i41 h LEU 434 Cb 0.23 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1i41 h LEU 434 CO -0.20 0.04 -0.41 0.50 0.09 0.00 0.00 178.44 178.47 1i41 h LYS 435 N -0.80 -0.35 -0.80 1.13 3.64 -0.47 0.13 116.57 119.05 1i41 h LYS 435 Ca -0.04 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.55 1i41 h LYS 435 Cb 0.51 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.29 1i41 h LYS 435 CO 0.07 -0.23 0.24 0.00 -2.27 0.00 0.00 179.45 177.25 1i41 h ALA 436 N 0.40 1.12 0.33 5.00 0.00 -1.18 0.21 119.26 125.13 1i41 h ALA 436 Ca 0.13 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1i41 h ALA 436 Cb 0.59 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1i41 h ALA 436 CO -0.51 -0.35 -0.16 0.22 0.00 0.00 0.00 179.25 178.44 1i41 h ASP 437 N 0.30 -0.38 -0.90 0.00 3.58 -0.71 0.16 116.42 118.47 1i41 h ASP 437 Ca 0.47 0.01 0.13 0.00 0.42 0.00 0.00 57.03 58.06 1i41 h ASP 437 Cb 0.85 0.10 -0.14 0.00 1.72 0.00 0.00 39.33 41.85 1i41 h ASP 437 CO -0.54 -0.27 -0.43 0.40 -2.88 0.00 0.00 179.24 175.53 1i41 h ILE 438 N -0.45 0.03 0.28 2.25 2.04 -0.13 0.94 117.51 122.47 1i41 h ILE 438 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1i41 h ILE 438 Cb 0.34 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1i41 h ILE 438 CO 0.07 0.00 -0.33 -0.07 0.00 0.00 0.00 178.15 177.83 1i41 h LEU 439 N -0.05 -0.89 -0.87 1.44 3.38 -0.59 -1.40 115.31 116.33 1i41 h LEU 439 Ca 0.28 0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.56 1i41 h LEU 439 Cb 0.56 0.31 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 1i41 h LEU 439 CO -0.91 -0.45 0.20 -0.61 0.09 0.00 0.00 178.44 176.75 1i41 h GLN 440 N -0.65 0.18 0.53 1.13 -0.00 0.17 0.02 115.11 116.47 1i41 h GLN 440 Ca -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1i41 h GLN 440 Cb 0.61 -0.04 0.01 0.00 0.00 0.00 0.00 27.48 28.06 1i41 h GLN 440 CO -0.09 0.12 -0.25 0.00 0.00 0.00 0.00 178.83 178.61 1i41 h ALA 441 N 1.78 -0.71 0.00 3.38 0.00 -0.68 -2.64 119.26 120.40 1i41 h ALA 441 Ca 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1i41 h ALA 441 Cb 1.07 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1i41 h ALA 441 CO -0.67 -0.75 0.67 -0.07 0.00 0.00 0.00 179.25 178.43 1i41 h LEU 442 N -0.99 0.00 0.10 0.00 3.38 0.04 0.78 115.31 118.62 1i41 h LEU 442 Ca -0.07 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.60 1i41 h LEU 442 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1i41 h LEU 442 CO 0.12 0.00 -1.52 0.44 0.09 0.00 0.00 178.44 177.57 1i41 h ASP 443 N 0.00 0.33 0.00 -0.43 5.19 -0.74 -3.26 116.42 117.50 1i41 h ASP 443 Ca 0.00 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1i41 h ASP 443 Cb 1.34 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1i41 h ASP 443 CO 0.00 1.39 0.01 -1.54 -3.12 0.00 0.00 179.24 175.98 1i41 n SER 444 N -3.41 0.00 -0.87 6.45 3.41 0.27 -5.12 113.62 114.35 1i41 n SER 444 Ca -0.16 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1i41 n SER 444 Cb 1.04 -0.12 0.09 0.00 -0.26 0.00 0.00 64.21 64.96 1i41 n SER 444 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50