#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i48 n ALA 51 N 0.00 0.59 -0.10 2.98 0.00 -1.26 -5.10 120.51 117.61 1i48 n ALA 51 Ca 0.00 -1.99 -0.16 0.00 0.00 0.00 0.00 53.44 51.29 1i48 n ALA 51 Cb 0.00 1.40 -0.06 0.00 0.00 0.00 0.00 19.45 20.79 1i48 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i48 n SER 52 N -1.58 1.91 0.27 0.00 3.41 -1.26 -4.40 113.62 111.96 1i48 n SER 52 Ca -0.03 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 59.08 1i48 n SER 52 Cb 0.59 -0.82 0.52 0.00 -0.26 0.00 0.00 64.21 64.24 1i48 n SER 52 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1i48 h PHE 53 N -1.00 0.00 -3.49 7.33 -5.15 -2.06 -3.36 116.94 109.20 1i48 h PHE 53 Ca -0.27 0.00 -0.63 0.00 -0.20 0.00 0.00 57.97 56.87 1i48 h PHE 53 Cb 1.14 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 37.12 1i48 h PHE 53 CO -0.22 0.00 -0.60 -0.51 -2.00 0.00 0.00 178.31 174.99 1i48 s LEU 54 N -4.97 3.61 0.00 2.10 1.43 -1.26 -4.93 118.68 114.66 1i48 s LEU 54 Ca -0.02 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1i48 s LEU 54 Cb 0.06 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1i48 s LEU 54 CO 0.17 0.07 0.00 0.59 0.23 0.00 0.00 176.35 177.41 1i48 n ASN 55 N 4.24 2.01 -4.72 2.29 3.02 -1.26 -4.77 115.26 116.07 1i48 n ASN 55 Ca -0.16 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.97 1i48 n ASN 55 Cb 0.52 0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.78 1i48 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i48 s SER 56 N -2.50 7.38 0.27 6.41 0.15 -1.26 -4.93 113.70 119.23 1i48 s SER 56 Ca 0.00 1.76 -0.03 0.00 0.70 0.00 0.00 55.95 58.38 1i48 s SER 56 Cb 0.00 -2.58 0.57 0.00 -1.71 0.00 0.00 66.02 62.30 1i48 s SER 56 CO 0.00 -0.21 1.62 0.44 1.20 0.00 0.00 173.24 176.29 1i48 h ASP 57 N 6.30 -0.33 -0.46 5.45 3.32 -1.99 0.17 116.42 128.88 1i48 h ASP 57 Ca -0.42 0.22 0.09 0.00 0.02 0.00 0.00 57.03 56.95 1i48 h ASP 57 Cb 1.22 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 41.04 1i48 h ASP 57 CO 0.74 -0.22 -0.18 1.23 -1.72 0.00 0.00 179.24 179.09 1i48 h GLY 58 N 0.10 0.20 0.82 2.75 0.00 -1.98 0.44 103.07 105.40 1i48 h GLY 58 Ca 0.49 0.23 0.07 0.00 0.00 0.00 0.00 47.33 48.12 1i48 h GLY 58 CO -0.74 -0.20 0.59 1.76 0.00 0.00 0.00 176.54 177.95 1i48 h SER 59 N -0.07 0.89 0.47 0.19 0.02 -1.07 -2.32 113.55 111.66 1i48 h SER 59 Ca 0.22 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1i48 h SER 59 Cb 0.42 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1i48 h SER 59 CO -0.52 0.56 -0.23 0.58 -1.14 0.00 0.00 176.83 176.09 1i48 h VAL 60 N 1.00 0.33 0.00 2.27 2.07 -0.05 -1.02 116.25 120.86 1i48 h VAL 60 Ca 0.40 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1i48 h VAL 60 Cb 0.24 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1i48 h VAL 60 CO -0.15 0.06 0.44 0.00 0.02 0.00 0.00 177.57 177.93 1i48 h ALA 61 N -0.77 1.32 0.02 1.67 0.00 -0.01 1.05 119.26 122.54 1i48 h ALA 61 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.46 1i48 h ALA 61 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1i48 h ALA 61 CO 0.11 -0.32 -2.22 -0.89 0.00 0.00 0.00 179.25 175.93 1i48 n ILE 62 N -2.09 1.56 0.55 0.00 5.41 -0.89 -4.16 119.36 119.72 1i48 n ILE 62 Ca -0.01 -0.42 0.06 0.00 1.00 0.00 0.00 62.75 63.39 1i48 n ILE 62 Cb 0.45 -1.75 0.05 0.00 -0.71 0.00 0.00 39.64 37.68 1i48 n ILE 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1i48 n HIS 63 N -3.87 0.00 -1.68 1.39 8.25 -0.10 -4.88 115.22 114.33 1i48 n HIS 63 Ca -0.45 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.57 1i48 n HIS 63 Cb 0.91 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.98 1i48 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i48 n ALA 64 N 0.59 1.76 -2.30 -1.41 0.00 0.35 -1.95 120.51 117.54 1i48 n ALA 64 Ca 0.07 0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 1i48 n ALA 64 Cb 0.32 -2.51 -0.01 0.00 0.00 0.00 0.00 19.45 17.25 1i48 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i48 n GLY 65 N 4.06 -0.25 1.33 0.00 0.00 -1.26 -4.29 105.19 104.79 1i48 n GLY 65 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1i48 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i48 n GLU 66 N -2.46 0.00 -0.22 1.61 1.02 -0.82 -4.73 120.64 115.04 1i48 n GLU 66 Ca -0.18 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1i48 n GLU 66 Cb 0.63 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.23 1i48 n GLU 66 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1i48 n ARG 67 N -2.00 -0.05 0.00 3.49 3.00 -1.01 -1.85 116.66 118.24 1i48 n ARG 67 Ca 0.00 0.94 0.00 0.00 -0.00 0.00 0.00 57.85 58.79 1i48 n ARG 67 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 30.98 1i48 n ARG 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1i48 n LEU 68 N -4.84 0.04 -4.11 6.15 4.77 -1.26 -5.03 117.00 112.72 1i48 n LEU 68 Ca 0.14 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1i48 n LEU 68 Cb 0.46 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1i48 n LEU 68 CO -0.05 -0.49 0.04 -0.83 -1.33 0.00 0.00 177.39 174.73 1i48 s GLY 69 N -1.74 1.34 0.00 -0.72 0.00 -0.77 -5.07 107.32 100.36 1i48 s GLY 69 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1i48 s GLY 69 CO 0.00 -1.05 0.00 0.54 0.00 0.00 0.00 173.10 172.59 1i48 n ARG 70 N -0.46 0.01 -1.27 2.90 1.74 -1.26 -3.53 116.66 114.78 1i48 n ARG 70 Ca 0.01 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1i48 n ARG 70 Cb 0.63 -0.10 -0.04 0.00 -1.02 0.00 0.00 32.46 31.93 1i48 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i48 n GLY 71 N 0.00 0.98 0.17 -0.13 0.00 -1.26 -4.71 105.19 100.25 1i48 n GLY 71 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1i48 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i48 n ILE 72 N -2.37 0.27 0.00 -0.61 0.00 -1.26 -5.08 119.36 110.30 1i48 n ILE 72 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 62.75 62.36 1i48 n ILE 72 Cb 0.49 0.68 0.00 0.00 0.00 0.00 0.00 39.64 40.80 1i48 n ILE 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1i48 n VAL 73 N -0.17 0.00 -3.57 9.51 0.31 -1.26 -5.02 118.33 118.12 1i48 n VAL 73 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1i48 n VAL 73 Cb 0.55 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.42 1i48 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i48 s THR 74 N 0.00 0.00 -1.13 2.52 -4.23 -1.26 -5.00 115.64 106.54 1i48 s THR 74 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1i48 s THR 74 Cb 0.00 -1.00 0.26 0.00 1.34 0.00 0.00 72.50 73.10 1i48 s THR 74 CO 0.00 0.00 1.01 -0.90 -0.54 0.00 0.00 174.62 174.19 1i48 n ASP 75 N 1.10 2.22 -4.82 3.99 5.68 -1.26 -4.85 116.55 118.61 1i48 n ASP 75 Ca -0.13 -2.22 -0.37 0.00 -0.50 0.00 0.00 54.79 51.57 1i48 n ASP 75 Cb 0.57 -0.44 -0.06 0.00 -1.14 0.00 0.00 41.12 40.05 1i48 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i48 s ALA 76 N -1.62 3.50 -0.01 2.12 0.00 -1.26 -5.00 121.76 119.48 1i48 s ALA 76 Ca 0.18 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.00 1i48 s ALA 76 Cb 0.12 -2.73 -0.16 0.00 0.00 0.00 0.00 23.12 20.36 1i48 s ALA 76 CO 0.07 0.37 1.10 0.82 0.00 0.00 0.00 175.76 178.12 1i48 h ILE 77 N 3.01 0.69 -4.33 0.00 5.03 -2.04 -3.46 117.51 116.42 1i48 h ILE 77 Ca -0.48 -0.75 -0.47 0.00 -0.12 0.00 0.00 64.86 63.04 1i48 h ILE 77 Cb 1.20 1.05 0.12 0.00 -3.03 0.00 0.00 36.82 36.16 1i48 h ILE 77 CO 0.65 0.14 0.33 0.42 -0.68 0.00 0.00 178.15 179.01 1i48 s THR 78 N -4.23 2.30 -0.13 -0.27 -4.23 -1.26 -4.98 115.64 102.85 1i48 s THR 78 Ca -0.13 0.10 -0.25 0.00 -1.18 0.00 0.00 61.69 60.23 1i48 s THR 78 Cb 0.02 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 1i48 s THR 78 CO 0.51 -0.13 0.79 -0.89 -0.54 0.00 0.00 174.62 174.36 1i48 s THR 79 N -3.31 4.94 0.40 3.99 2.01 -1.26 -5.03 115.64 117.38 1i48 s THR 79 Ca 0.63 1.57 -0.26 0.00 0.31 0.00 0.00 61.69 63.94 1i48 s THR 79 Cb -0.14 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 1i48 s THR 79 CO 0.53 0.11 1.21 -2.16 -0.69 0.00 0.00 174.62 173.62 1i48 s PRO 80 N 1.63 4.05 -0.46 4.92 0.04 -1.26 -4.99 135.00 138.93 1i48 s PRO 80 Ca 0.38 1.95 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 1i48 s PRO 80 Cb -0.17 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.67 1i48 s PRO 80 CO 0.15 -0.36 0.67 0.08 0.04 0.00 0.00 177.00 177.59 1i48 s VAL 81 N -1.35 4.79 -0.45 -0.36 1.01 -1.26 -4.52 120.40 118.26 1i48 s VAL 81 Ca 0.56 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 1i48 s VAL 81 Cb -0.33 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 31.82 1i48 s VAL 81 CO 0.42 -0.67 0.67 -0.69 0.00 0.00 0.00 175.10 174.83 1i48 s VAL 82 N 2.91 4.79 -1.09 2.92 1.01 -1.26 -4.98 120.40 124.70 1i48 s VAL 82 Ca 0.23 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1i48 s VAL 82 Cb -0.15 -4.25 0.30 0.00 0.00 0.00 0.00 36.38 32.29 1i48 s VAL 82 CO 0.18 -0.66 1.55 0.59 0.00 0.00 0.00 175.10 176.76 1i48 n ASN 83 N 6.37 6.47 -4.45 3.32 3.02 -1.26 -4.75 115.26 123.99 1i48 n ASN 83 Ca -0.01 -3.43 -0.30 0.00 -0.03 0.00 0.00 54.58 50.81 1i48 n ASN 83 Cb 0.48 -1.27 -0.12 0.00 -0.61 0.00 0.00 39.78 38.25 1i48 n ASN 83 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i48 s THR 84 N -2.78 2.64 -0.49 3.41 -1.32 -1.26 -5.01 115.64 110.83 1i48 s THR 84 Ca 0.32 -1.50 0.23 0.00 -1.21 0.00 0.00 61.69 59.53 1i48 s THR 84 Cb 0.07 -2.17 -0.15 0.00 -1.51 0.00 0.00 72.50 68.73 1i48 s THR 84 CO 0.08 0.16 0.91 -1.54 -2.21 0.00 0.00 174.62 172.03 1i48 n SER 85 N 1.04 0.56 -3.17 8.08 3.41 -1.26 -4.77 113.62 117.51 1i48 n SER 85 Ca -0.16 -0.18 -0.09 0.00 -0.26 0.00 0.00 58.87 58.18 1i48 n SER 85 Cb 0.53 1.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.48 1i48 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i48 s ALA 86 N -3.26 -0.67 -0.04 7.33 0.00 -1.26 -2.38 121.76 121.48 1i48 s ALA 86 Ca 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1i48 s ALA 86 Cb 0.14 0.77 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1i48 s ALA 86 CO 0.83 -0.97 -0.10 0.71 0.00 0.00 0.00 175.76 176.22 1i48 s TYR 87 N -2.74 1.17 0.64 0.00 1.51 -1.03 -4.84 117.35 112.06 1i48 s TYR 87 Ca 0.16 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1i48 s TYR 87 Cb -0.05 -0.85 0.09 0.00 -0.11 0.00 0.00 41.96 41.04 1i48 s TYR 87 CO 0.11 -0.17 0.89 -0.59 -1.11 0.00 0.00 175.55 174.69 1i48 s PHE 88 N 0.40 2.10 0.05 2.71 -0.12 -1.26 -4.78 117.98 117.08 1i48 s PHE 88 Ca -0.08 -0.19 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 1i48 s PHE 88 Cb -0.12 -2.85 -0.03 0.00 -0.63 0.00 0.00 43.02 39.40 1i48 s PHE 88 CO 0.02 -1.34 -0.14 -0.06 -0.05 0.00 0.00 175.22 173.64 1i48 s PHE 89 N -2.96 1.24 0.16 3.49 0.40 -1.26 -5.06 117.98 113.99 1i48 s PHE 89 Ca 0.62 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.46 1i48 s PHE 89 Cb -0.07 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.74 1i48 s PHE 89 CO 0.42 0.05 1.51 -0.91 0.70 0.00 0.00 175.22 176.98 1i48 h ASN 90 N 4.64 0.96 -5.01 1.36 2.35 -2.00 -3.46 115.58 114.42 1i48 h ASN 90 Ca -0.39 -0.42 -0.07 0.00 -0.55 0.00 0.00 56.30 54.86 1i48 h ASN 90 Cb 1.18 -0.27 -0.17 0.00 0.05 0.00 0.00 38.32 39.11 1i48 h ASN 90 CO 0.42 1.21 0.03 -1.59 -1.65 0.00 0.00 177.43 175.85 1i48 s LYS 91 N -4.45 0.99 0.27 0.81 -2.85 -1.26 -5.05 119.74 108.19 1i48 s LYS 91 Ca -0.11 -0.12 -0.04 0.00 -1.00 0.00 0.00 55.97 54.71 1i48 s LYS 91 Cb 0.12 0.45 0.55 0.00 -2.06 0.00 0.00 37.83 36.88 1i48 s LYS 91 CO 0.87 -0.34 1.63 1.15 0.10 0.00 0.00 175.35 178.76 1i48 h THR 92 N 2.98 0.28 -0.74 3.79 2.02 -1.99 0.12 112.91 119.37 1i48 h THR 92 Ca -0.30 -0.04 0.16 0.00 0.77 0.00 0.00 66.41 67.01 1i48 h THR 92 Cb 1.19 0.16 -0.13 0.00 -1.74 0.00 0.00 68.15 67.63 1i48 h THR 92 CO 0.41 0.02 -0.03 0.77 0.37 0.00 0.00 175.52 177.05 1i48 h SER 93 N 0.11 -0.41 -0.18 4.18 4.64 -1.99 0.31 113.55 120.21 1i48 h SER 93 Ca 0.47 0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.98 1i48 h SER 93 Cb 0.89 0.36 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1i48 h SER 93 CO -0.71 -0.19 0.07 -0.33 -0.87 0.00 0.00 176.83 174.80 1i48 h GLU 94 N 0.08 0.26 -0.88 4.77 5.08 -1.20 -0.72 114.58 121.97 1i48 h GLU 94 Ca 0.39 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.83 1i48 h GLU 94 Cb 0.68 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 1i48 h GLU 94 CO -0.67 0.34 0.57 1.25 -1.00 0.00 0.00 179.01 179.50 1i48 h LEU 95 N 0.13 0.70 -0.05 1.33 5.85 -0.33 0.19 115.31 123.13 1i48 h LEU 95 Ca 0.06 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1i48 h LEU 95 Cb 0.18 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1i48 h LEU 95 CO -0.00 0.37 -0.00 0.40 -0.34 0.00 0.00 178.44 178.87 1i48 h ILE 96 N 0.75 1.26 -0.18 4.05 2.04 -0.04 -1.20 117.51 124.19 1i48 h ILE 96 Ca 0.43 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1i48 h ILE 96 Cb 0.61 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1i48 h ILE 96 CO -0.20 0.22 -0.41 0.44 0.00 0.00 0.00 178.15 178.20 1i48 h ASP 97 N -0.22 -1.31 -0.35 1.72 5.19 0.47 0.63 116.42 122.55 1i48 h ASP 97 Ca 0.01 0.18 0.06 0.00 -0.62 0.00 0.00 57.03 56.66 1i48 h ASP 97 Cb 0.35 0.54 -0.05 0.00 0.18 0.00 0.00 39.33 40.34 1i48 h ASP 97 CO 0.00 -0.41 0.02 0.15 -3.12 0.00 0.00 179.24 175.88 1i48 h PHE 98 N -0.45 0.01 0.00 4.55 3.57 -1.00 0.19 116.94 123.81 1i48 h PHE 98 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1i48 h PHE 98 Cb 0.61 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1i48 h PHE 98 CO -0.50 -0.05 -0.08 0.87 -2.23 0.00 0.00 178.31 176.32 1i48 h LYS 99 N 0.12 0.00 -0.53 1.11 1.79 -0.30 0.13 116.57 118.89 1i48 h LYS 99 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1i48 h LYS 99 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1i48 h LYS 99 CO -0.27 0.08 0.00 0.39 -1.08 0.00 0.00 179.45 178.57 1i48 n GLU 100 N -3.89 2.39 -3.48 3.15 -0.58 0.21 -4.93 120.64 113.51 1i48 n GLU 100 Ca -0.02 -1.82 -0.18 0.00 -0.42 0.00 0.00 57.16 54.71 1i48 n GLU 100 Cb 0.18 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.63 1i48 n GLU 100 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i48 n LYS 101 N 0.85 -6.39 0.00 3.49 4.01 0.47 -4.91 118.16 115.67 1i48 n LYS 101 Ca 0.17 0.81 0.00 0.00 -0.51 0.00 0.00 58.31 58.78 1i48 n LYS 101 Cb 0.50 -5.76 0.00 0.00 -0.51 0.00 0.00 35.03 29.26 1i48 n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1i48 n ARG 102 N -4.19 5.94 -4.34 1.97 1.74 0.42 -4.98 116.66 113.21 1i48 n ARG 102 Ca -0.28 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.63 1i48 n ARG 102 Cb 0.67 -0.46 -0.10 0.00 -1.02 0.00 0.00 32.46 31.54 1i48 n ARG 102 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i48 s ARG 103 N -0.92 1.42 -0.12 5.56 3.52 -1.24 -4.84 118.95 122.32 1i48 s ARG 103 Ca 0.00 -1.76 0.00 0.00 -0.13 0.00 0.00 55.73 53.84 1i48 s ARG 103 Cb 0.00 -0.48 -0.02 0.00 -1.56 0.00 0.00 34.95 32.90 1i48 s ARG 103 CO 0.00 -0.21 -0.12 0.00 -0.81 0.00 0.00 175.30 174.15 1i48 s ALA 104 N -3.57 2.67 -0.21 6.12 0.00 -1.26 -4.62 121.76 120.89 1i48 s ALA 104 Ca 0.34 -0.89 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 1i48 s ALA 104 Cb 0.07 -1.21 0.15 0.00 0.00 0.00 0.00 23.12 22.14 1i48 s ALA 104 CO 0.12 0.30 1.17 0.45 0.00 0.00 0.00 175.76 177.80 1i48 s SER 105 N 0.17 -0.20 0.35 0.00 0.15 -1.26 -5.03 113.70 107.89 1i48 s SER 105 Ca -0.07 0.16 0.23 0.00 0.70 0.00 0.00 55.95 56.98 1i48 s SER 105 Cb -0.15 0.17 0.29 0.00 -1.71 0.00 0.00 66.02 64.62 1i48 s SER 105 CO 0.05 -0.22 1.47 -0.26 1.20 0.00 0.00 173.24 175.48 1i48 h PHE 106 N 2.23 0.00 0.00 3.44 0.04 -1.93 -3.47 116.94 117.24 1i48 h PHE 106 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1i48 h PHE 106 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1i48 h PHE 106 CO 0.25 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 176.05 1i48 n GLU 107 N -2.90 0.00 -4.34 1.51 2.13 -1.26 -4.48 120.64 111.30 1i48 n GLU 107 Ca 0.03 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.63 1i48 n GLU 107 Cb 0.52 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.12 1i48 n GLU 107 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1i48 s TYR 108 N 0.00 1.88 0.53 4.31 5.04 -1.26 -2.48 117.35 125.36 1i48 s TYR 108 Ca 0.00 -0.46 0.17 0.00 -2.44 0.00 0.00 57.07 54.35 1i48 s TYR 108 Cb 0.00 -0.93 1.32 0.00 0.35 0.00 0.00 41.96 42.69 1i48 s TYR 108 CO 0.00 0.35 2.16 0.78 -1.34 0.00 0.00 175.55 177.50 1i48 h GLY 109 N 3.23 0.00 2.00 8.97 0.00 -1.69 -0.22 103.07 115.36 1i48 h GLY 109 Ca -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1i48 h GLY 109 CO 0.51 0.00 -0.02 -0.09 0.00 0.00 0.00 176.54 176.94 1i48 h ARG 110 N 0.00 0.00 -0.36 4.80 2.43 -1.92 -2.87 114.38 116.46 1i48 h ARG 110 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1i48 h ARG 110 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1i48 h ARG 110 CO -0.00 0.02 0.00 0.66 -1.51 0.00 0.00 179.97 179.14 1i48 n TYR 111 N -3.11 0.48 0.00 2.20 4.01 -0.10 -4.76 117.16 115.88 1i48 n TYR 111 Ca 0.02 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1i48 n TYR 111 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1i48 n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i48 n GLY 112 N 1.15 1.59 3.64 2.72 0.00 -1.08 -4.86 105.19 108.35 1i48 n GLY 112 Ca 0.14 -1.92 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 1i48 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i48 s ASN 113 N 0.00 -0.53 0.23 1.61 3.84 -1.26 -4.44 114.94 114.39 1i48 s ASN 113 Ca 0.00 0.95 -0.06 0.00 0.21 0.00 0.00 52.86 53.95 1i48 s ASN 113 Cb 0.00 1.05 0.33 0.00 -0.55 0.00 0.00 41.25 42.08 1i48 s ASN 113 CO 0.00 -0.16 1.80 1.55 -2.79 0.00 0.00 177.10 177.51 1i48 h PRO 114 N 5.01 0.71 -0.14 0.43 0.13 -1.97 0.23 132.00 136.39 1i48 h PRO 114 Ca -0.28 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 1i48 h PRO 114 Cb 1.18 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1i48 h PRO 114 CO 0.13 0.47 -0.15 1.15 -0.23 0.00 0.00 178.00 179.37 1i48 h THR 115 N 0.73 1.19 0.02 1.56 2.02 -1.90 -3.12 112.91 113.40 1i48 h THR 115 Ca 0.35 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1i48 h THR 115 Cb 0.30 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1i48 h THR 115 CO -0.23 0.26 -0.01 0.74 0.37 0.00 0.00 175.52 176.65 1i48 h THR 116 N 0.22 1.41 -1.20 3.16 2.02 -1.41 -3.31 112.91 113.79 1i48 h THR 116 Ca 0.04 -1.91 0.36 0.00 0.77 0.00 0.00 66.41 65.68 1i48 h THR 116 Cb 0.40 2.59 -0.11 0.00 -1.74 0.00 0.00 68.15 69.30 1i48 h THR 116 CO 0.02 0.45 0.78 -0.37 0.37 0.00 0.00 175.52 176.77 1i48 h VAL 117 N -0.93 0.30 0.13 3.16 -1.51 -0.63 0.91 116.25 117.68 1i48 h VAL 117 Ca -0.00 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1i48 h VAL 117 Cb 0.76 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.99 1i48 h VAL 117 CO 0.00 0.04 -0.13 0.58 -1.23 0.00 0.00 177.57 176.83 1i48 h VAL 118 N 0.21 0.00 -1.02 7.19 2.07 -1.63 0.41 116.25 123.48 1i48 h VAL 118 Ca 0.71 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.52 1i48 h VAL 118 Cb 2.12 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1i48 h VAL 118 CO -0.35 0.00 0.72 0.25 0.02 0.00 0.00 177.57 178.22 1i48 h LEU 119 N -0.26 0.06 0.49 2.57 5.85 -1.04 0.28 115.31 123.25 1i48 h LEU 119 Ca -0.02 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1i48 h LEU 119 Cb 0.23 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1i48 h LEU 119 CO -0.02 0.01 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.53 1i48 h GLU 120 N 0.05 -0.64 -0.92 1.25 5.08 0.39 -2.00 114.58 117.79 1i48 h GLU 120 Ca 0.49 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1i48 h GLU 120 Cb 1.88 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 31.23 1i48 h GLU 120 CO -0.04 -0.34 0.52 0.93 -1.00 0.00 0.00 179.01 179.09 1i48 h GLU 121 N -0.91 1.27 0.28 2.33 5.08 0.19 -0.68 114.58 122.14 1i48 h GLU 121 Ca -0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1i48 h GLU 121 Cb 0.60 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1i48 h GLU 121 CO 0.11 0.92 -0.51 -0.22 -1.00 0.00 0.00 179.01 178.31 1i48 h LYS 122 N 1.28 -0.81 -0.60 2.33 3.64 -0.50 0.97 116.57 122.89 1i48 h LYS 122 Ca 0.33 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.82 1i48 h LYS 122 Cb -0.00 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1i48 h LYS 122 CO -0.06 -0.54 0.31 0.82 -2.27 0.00 0.00 179.45 177.72 1i48 h ILE 123 N -0.84 0.95 -0.66 2.00 2.04 -1.19 -1.44 117.51 118.37 1i48 h ILE 123 Ca -0.03 -0.20 0.14 0.00 1.00 0.00 0.00 64.86 65.77 1i48 h ILE 123 Cb 0.79 0.31 -0.11 0.00 -0.74 0.00 0.00 36.82 37.06 1i48 h ILE 123 CO -0.19 0.11 -0.01 0.28 0.00 0.00 0.00 178.15 178.34 1i48 h SER 124 N 0.59 -0.32 0.22 1.72 0.02 -0.34 0.19 113.55 115.63 1i48 h SER 124 Ca 0.27 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1i48 h SER 124 Cb 0.18 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1i48 h SER 124 CO -0.18 -0.14 -0.10 0.00 -1.14 0.00 0.00 176.83 175.26 1i48 h ALA 125 N 1.61 -0.29 0.05 3.77 0.00 0.17 0.27 119.26 124.83 1i48 h ALA 125 Ca 0.35 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1i48 h ALA 125 Cb 0.58 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1i48 h ALA 125 CO -0.58 -0.62 -0.47 -0.07 0.00 0.00 0.00 179.25 177.51 1i48 h LEU 126 N -0.38 -1.41 0.00 0.00 3.38 -0.37 0.12 115.31 116.65 1i48 h LEU 126 Ca -0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i48 h LEU 126 Cb 0.29 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1i48 h LEU 126 CO 0.05 -0.50 0.00 -0.62 0.09 0.00 0.00 178.44 177.46 1i48 n GLU 127 N -5.47 0.35 -3.63 1.13 -0.58 -0.06 -4.86 120.64 107.53 1i48 n GLU 127 Ca -0.07 0.08 -0.21 0.00 -0.42 0.00 0.00 57.16 56.54 1i48 n GLU 127 Cb 0.39 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.81 1i48 n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i48 n GLY 128 N 0.08 -0.34 3.89 0.62 0.00 0.41 -4.75 105.19 105.10 1i48 n GLY 128 Ca 0.10 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1i48 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 s ALA 129 N -3.52 4.26 0.03 4.61 0.00 0.77 -4.93 121.76 122.98 1i48 s ALA 129 Ca 0.09 -1.60 -0.15 0.00 0.00 0.00 0.00 51.96 50.31 1i48 s ALA 129 Cb -0.04 -0.84 -0.35 0.00 0.00 0.00 0.00 23.12 21.89 1i48 s ALA 129 CO 0.78 -0.39 1.00 1.49 0.00 0.00 0.00 175.76 178.65 1i48 h GLU 130 N 0.85 0.52 -2.39 0.00 4.81 -1.83 -3.43 114.58 113.10 1i48 h GLU 130 Ca -0.38 -0.89 -0.02 0.00 -0.13 0.00 0.00 59.36 57.94 1i48 h GLU 130 Cb 1.29 0.33 -0.16 0.00 0.63 0.00 0.00 28.75 30.83 1i48 h GLU 130 CO 0.57 1.42 0.24 0.45 -0.73 0.00 0.00 179.01 180.97 1i48 s SER 131 N -7.55 -0.58 0.08 1.04 0.15 -0.73 -4.81 113.70 101.30 1i48 s SER 131 Ca -0.09 0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.98 1i48 s SER 131 Cb 0.04 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1i48 s SER 131 CO 0.94 -0.74 -0.15 -0.89 1.20 0.00 0.00 173.24 173.61 1i48 s THR 132 N -2.35 1.18 0.10 6.45 2.01 -1.26 -1.06 115.64 120.72 1i48 s THR 132 Ca -0.04 -1.38 0.10 0.00 0.31 0.00 0.00 61.69 60.68 1i48 s THR 132 Cb -0.01 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1i48 s THR 132 CO -0.01 -0.24 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.21 1i48 s LEU 133 N -1.84 2.27 -0.13 4.42 2.96 0.34 -4.88 118.68 121.82 1i48 s LEU 133 Ca -0.00 -0.68 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1i48 s LEU 133 Cb -0.09 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.46 1i48 s LEU 133 CO 0.02 0.17 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.34 1i48 s LEU 134 N -1.77 1.60 0.00 -0.68 1.43 -1.26 -0.67 118.68 117.32 1i48 s LEU 134 Ca 0.12 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1i48 s LEU 134 Cb -0.10 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.05 1i48 s LEU 134 CO 0.04 -0.05 0.16 0.23 0.23 0.00 0.00 176.35 176.96 1i48 n MET 135 N 4.65 0.90 0.03 1.70 2.81 0.26 -4.34 117.12 123.13 1i48 n MET 135 Ca -0.17 -0.61 0.12 0.00 -1.81 0.00 0.00 57.70 55.24 1i48 n MET 135 Cb 0.50 -0.05 0.30 0.00 -0.71 0.00 0.00 33.22 33.26 1i48 n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i48 n ALA 136 N -2.88 3.03 -3.62 3.04 0.00 -0.87 -3.29 120.51 115.92 1i48 n ALA 136 Ca -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.12 1i48 n ALA 136 Cb 0.12 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 1i48 n ALA 136 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i48 s SER 137 N -3.53 -0.16 0.20 0.00 1.04 -1.26 -3.24 113.70 106.75 1i48 s SER 137 Ca 0.10 0.20 -0.21 0.00 0.48 0.00 0.00 55.95 56.51 1i48 s SER 137 Cb 0.16 0.16 0.14 0.00 0.10 0.00 0.00 66.02 66.58 1i48 s SER 137 CO 0.67 -0.13 1.57 1.23 0.98 0.00 0.00 173.24 177.56 1i48 h GLY 138 N 2.44 -0.15 -0.43 7.32 0.00 -1.84 0.37 103.07 110.77 1i48 h GLY 138 Ca -0.14 0.52 0.14 0.00 0.00 0.00 0.00 47.33 47.84 1i48 h GLY 138 CO 0.24 -0.18 -0.20 -0.33 0.00 0.00 0.00 176.54 176.06 1i48 h MET 139 N -0.10 -0.02 0.24 4.80 2.86 -1.96 0.13 114.93 120.88 1i48 h MET 139 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1i48 h MET 139 Cb 0.56 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1i48 h MET 139 CO -0.82 -0.02 -0.51 0.00 1.06 0.00 0.00 176.91 176.62 1i48 h ALA 141 N -0.68 -0.21 -0.11 0.00 0.00 0.69 1.02 119.26 119.96 1i48 h ALA 141 Ca -0.02 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1i48 h ALA 141 Cb 0.78 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 1i48 h ALA 141 CO -0.21 -0.25 -0.40 0.66 0.00 0.00 0.00 179.25 179.05 1i48 h SER 142 N -0.02 -1.26 -0.62 0.00 4.64 -0.95 0.31 113.55 115.65 1i48 h SER 142 Ca 0.01 0.17 0.08 0.00 -0.47 0.00 0.00 61.79 61.58 1i48 h SER 142 Cb 0.05 0.51 -0.10 0.00 -0.31 0.00 0.00 62.40 62.55 1i48 h SER 142 CO -0.08 -0.42 -0.50 0.74 -0.87 0.00 0.00 176.83 175.70 1i48 h THR 143 N -0.49 0.04 0.66 2.95 2.02 0.46 -0.22 112.91 118.33 1i48 h THR 143 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1i48 h THR 143 Cb 0.62 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1i48 h THR 143 CO -0.38 0.00 -0.43 0.58 0.37 0.00 0.00 175.52 175.66 1i48 h VAL 144 N -0.23 0.00 -0.86 3.16 2.07 0.17 -2.65 116.25 117.91 1i48 h VAL 144 Ca 0.15 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.95 1i48 h VAL 144 Cb 0.55 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.16 1i48 h VAL 144 CO -0.72 0.00 0.16 0.80 0.02 0.00 0.00 177.57 177.83 1i48 n MET 145 N -5.10 -0.06 0.19 1.57 0.00 0.10 -0.22 117.12 113.61 1i48 n MET 145 Ca -0.12 1.25 -0.07 0.00 0.00 0.00 0.00 57.70 58.75 1i48 n MET 145 Cb 0.43 -2.07 -0.04 0.00 0.00 0.00 0.00 33.22 31.54 1i48 n MET 145 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1i48 h LEU 146 N 0.00 -0.41 -2.13 -0.89 3.38 -0.71 -0.90 115.31 113.65 1i48 h LEU 146 Ca 0.59 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.59 1i48 h LEU 146 Cb 1.36 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1i48 h LEU 146 CO -0.76 -0.28 0.30 -0.07 0.09 0.00 0.00 178.44 177.72 1i48 h LEU 147 N -0.51 0.00 0.04 1.67 3.38 -0.92 -0.32 115.31 118.65 1i48 h LEU 147 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1i48 h LEU 147 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1i48 h LEU 147 CO 0.08 0.00 -0.35 0.00 0.09 0.00 0.00 178.44 178.26 1i48 h ALA 148 N 1.46 -0.01 0.02 1.53 0.00 -0.23 -3.41 119.26 118.61 1i48 h ALA 148 Ca 0.03 -0.54 -0.31 0.00 0.00 0.00 0.00 54.91 54.09 1i48 h ALA 148 Cb 0.62 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1i48 h ALA 148 CO -0.00 0.15 -1.70 1.28 0.00 0.00 0.00 179.25 178.98 1i48 n LEU 149 N -4.42 2.02 -4.66 0.00 4.77 -0.38 -4.88 117.00 109.46 1i48 n LEU 149 Ca -0.11 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.80 1i48 n LEU 149 Cb 0.59 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1i48 n LEU 149 CO 0.41 0.44 1.39 -0.69 -1.33 0.00 0.00 177.39 177.61 1i48 s VAL 150 N -2.43 3.56 0.95 4.08 1.01 -0.22 -4.99 120.40 122.37 1i48 s VAL 150 Ca -0.31 0.67 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 1i48 s VAL 150 Cb 0.08 -3.45 0.17 0.00 0.00 0.00 0.00 36.38 33.18 1i48 s VAL 150 CO 0.59 -0.07 1.20 -2.84 0.00 0.00 0.00 175.10 173.97 1i48 s PRO 151 N 4.13 0.77 0.38 2.72 0.02 -1.26 -4.72 135.00 137.04 1i48 s PRO 151 Ca 0.74 -0.01 -0.27 0.00 0.02 0.00 0.00 61.00 61.49 1i48 s PRO 151 Cb -0.33 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.27 1i48 s PRO 151 CO 0.30 -2.39 1.31 0.00 -0.33 0.00 0.00 177.00 175.89 1i48 s ALA 152 N -3.47 3.35 0.00 -1.55 0.00 -1.26 -2.03 121.76 116.80 1i48 s ALA 152 Ca 0.68 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1i48 s ALA 152 Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1i48 s ALA 152 CO 0.53 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1i48 n GLY 153 N 0.70 0.23 3.62 0.00 0.00 -0.55 -4.94 105.19 104.24 1i48 n GLY 153 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1i48 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i48 s GLY 154 N -2.00 1.59 0.09 -0.02 0.00 -0.86 -4.65 107.32 101.47 1i48 s GLY 154 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.90 1i48 s GLY 154 CO 0.00 -0.05 -0.20 -1.58 0.00 0.00 0.00 173.10 171.28 1i48 s HIS 155 N -3.04 1.68 -0.01 1.90 5.65 -1.26 -1.57 115.29 118.64 1i48 s HIS 155 Ca 0.70 -0.42 -0.04 0.00 0.25 0.00 0.00 55.06 55.55 1i48 s HIS 155 Cb -0.10 -0.93 -0.00 0.00 -1.18 0.00 0.00 32.58 30.37 1i48 s HIS 155 CO 0.56 0.17 0.08 -1.50 -0.65 0.00 0.00 174.74 173.41 1i48 s ILE 156 N -1.17 0.06 -0.05 0.89 2.07 -0.57 -0.63 121.20 121.80 1i48 s ILE 156 Ca 0.05 -0.51 0.03 0.00 -1.41 0.00 0.00 60.65 58.81 1i48 s ILE 156 Cb -0.10 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 1i48 s ILE 156 CO 0.04 -0.28 -0.13 -0.69 -1.91 0.00 0.00 174.94 171.96 1i48 s VAL 157 N -0.92 3.14 0.04 4.00 1.01 -0.64 -0.76 120.40 126.26 1i48 s VAL 157 Ca -0.10 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1i48 s VAL 157 Cb -0.06 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1i48 s VAL 157 CO 0.00 0.59 0.39 0.28 0.00 0.00 0.00 175.10 176.37 1i48 s THR 158 N -0.71 0.06 0.75 3.92 -1.32 -0.54 0.42 115.64 118.21 1i48 s THR 158 Ca 0.11 -0.48 -0.11 0.00 -1.21 0.00 0.00 61.69 60.00 1i48 s THR 158 Cb -0.11 -0.92 0.04 0.00 -1.51 0.00 0.00 72.50 70.01 1i48 s THR 158 CO 0.01 -0.27 1.08 0.42 -2.21 0.00 0.00 174.62 173.65 1i48 s THR 159 N -2.34 3.53 0.01 5.08 -4.23 -1.24 -1.37 115.64 115.07 1i48 s THR 159 Ca -0.06 0.50 -0.25 0.00 -1.18 0.00 0.00 61.69 60.69 1i48 s THR 159 Cb -0.01 -3.12 -0.19 0.00 1.34 0.00 0.00 72.50 70.52 1i48 s THR 159 CO -0.02 -0.65 1.38 0.71 -0.54 0.00 0.00 174.62 175.51 1i48 h THR 160 N -0.99 1.29 -2.21 3.99 1.35 -1.03 -3.41 112.91 111.91 1i48 h THR 160 Ca -0.45 -0.86 -0.54 0.00 -0.55 0.00 0.00 66.41 64.02 1i48 h THR 160 Cb 1.23 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 1i48 h THR 160 CO 0.55 0.22 1.39 -1.81 -0.25 0.00 0.00 175.52 175.62 1i48 s ASP 161 N -5.56 5.41 0.16 5.36 1.11 -1.26 -4.93 116.67 116.96 1i48 s ASP 161 Ca -0.15 1.09 0.01 0.00 0.18 0.00 0.00 52.55 53.67 1i48 s ASP 161 Cb 0.03 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 1i48 s ASP 161 CO 0.67 -2.13 0.03 0.00 1.18 0.00 0.00 175.17 174.92 1i48 s TYR 163 N -3.81 2.53 0.01 0.00 5.04 -1.26 -4.88 117.35 114.97 1i48 s TYR 163 Ca 0.25 0.78 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 1i48 s TYR 163 Cb 0.07 -3.88 -0.00 0.00 0.35 0.00 0.00 41.96 38.49 1i48 s TYR 163 CO 0.04 -2.09 0.12 -2.13 -1.34 0.00 0.00 175.55 170.15 1i48 n ARG 164 N 7.32 -0.01 0.20 4.97 3.00 -1.26 0.23 116.66 131.11 1i48 n ARG 164 Ca 0.16 0.12 -0.17 0.00 -0.00 0.00 0.00 57.85 57.96 1i48 n ARG 164 Cb 0.46 -0.17 -0.09 0.00 0.00 0.00 0.00 32.46 32.65 1i48 n ARG 164 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1i48 h LYS 165 N 0.00 -0.82 -1.04 -0.14 6.56 -1.98 -1.64 116.57 117.50 1i48 h LYS 165 Ca 0.01 0.06 0.37 0.00 -1.06 0.00 0.00 60.65 60.02 1i48 h LYS 165 Cb 0.01 0.19 -0.16 0.00 -0.57 0.00 0.00 32.23 31.70 1i48 h LYS 165 CO -0.03 -0.55 0.60 1.15 -2.06 0.00 0.00 179.45 178.56 1i48 h THR 166 N -0.85 0.17 0.22 -0.16 2.02 -0.61 0.17 112.91 113.87 1i48 h THR 166 Ca -0.04 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1i48 h THR 166 Cb 0.79 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1i48 h THR 166 CO -0.16 0.03 -0.19 -0.09 0.37 0.00 0.00 175.52 175.48 1i48 h ARG 167 N 0.17 -0.38 -0.83 6.66 2.43 -0.24 -2.94 114.38 119.26 1i48 h ARG 167 Ca 0.79 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 60.14 1i48 h ARG 167 Cb 2.01 0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 31.49 1i48 h ARG 167 CO -0.64 -0.25 -0.24 0.82 -1.51 0.00 0.00 179.97 178.15 1i48 h ILE 168 N -0.40 0.14 -0.69 1.20 2.04 -0.66 0.18 117.51 119.32 1i48 h ILE 168 Ca -0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1i48 h ILE 168 Cb 0.34 0.14 -0.11 0.00 -0.74 0.00 0.00 36.82 36.45 1i48 h ILE 168 CO -0.01 0.00 0.09 0.15 0.00 0.00 0.00 178.15 178.38 1i48 h PHE 169 N -0.02 0.11 -0.19 1.37 3.57 -1.38 0.76 116.94 121.16 1i48 h PHE 169 Ca 0.38 0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.77 1i48 h PHE 169 Cb 0.61 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1i48 h PHE 169 CO -0.68 -0.14 -0.52 0.82 -2.23 0.00 0.00 178.31 175.57 1i48 h ILE 170 N 0.19 1.32 -0.00 1.41 2.04 -0.57 0.12 117.51 122.01 1i48 h ILE 170 Ca 0.38 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1i48 h ILE 170 Cb 0.65 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1i48 h ILE 170 CO -0.54 0.54 -0.17 -0.62 0.00 0.00 0.00 178.15 177.37 1i48 n GLU 171 N -3.97 0.47 0.00 2.37 1.02 0.21 -4.23 120.64 116.51 1i48 n GLU 171 Ca -0.03 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1i48 n GLU 171 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1i48 n GLU 171 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i48 n THR 172 N -1.11 0.00 -0.09 2.62 -2.24 0.24 -4.87 114.28 108.83 1i48 n THR 172 Ca 0.12 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.79 1i48 n THR 172 Cb 0.30 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1i48 n THR 172 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1i48 n ILE 173 N -0.85 1.47 -0.33 2.28 2.08 0.37 -4.44 119.36 119.95 1i48 n ILE 173 Ca 0.00 0.11 0.17 0.00 0.56 0.00 0.00 62.75 63.60 1i48 n ILE 173 Cb 0.12 -2.30 0.38 0.00 -0.75 0.00 0.00 39.64 37.09 1i48 n ILE 173 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1i48 h LEU 174 N -1.00 0.49 -2.00 1.39 3.38 -1.61 0.36 115.31 116.32 1i48 h LEU 174 Ca -0.09 0.16 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1i48 h LEU 174 Cb 0.88 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1i48 h LEU 174 CO -0.06 -0.00 0.42 1.55 0.09 0.00 0.00 178.44 180.44 1i48 h PRO 175 N 0.44 0.00 -0.74 1.13 0.13 -1.73 0.78 132.00 132.02 1i48 h PRO 175 Ca 0.64 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.79 1i48 h PRO 175 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1i48 h PRO 175 CO -0.53 0.00 0.47 0.87 -0.23 0.00 0.00 178.00 178.57 1i48 h LYS 176 N 0.00 0.89 -0.37 0.86 1.57 -0.50 0.30 116.57 119.32 1i48 h LYS 176 Ca 0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1i48 h LYS 176 Cb 1.11 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1i48 h LYS 176 CO -0.00 0.59 0.00 -1.33 -0.57 0.00 0.00 179.45 178.14 1i48 n MET 177 N -4.63 1.34 -1.24 3.15 0.00 0.19 -4.84 117.12 111.09 1i48 n MET 177 Ca 0.08 -0.40 -0.08 0.00 0.00 0.00 0.00 57.70 57.30 1i48 n MET 177 Cb 0.08 -1.25 -0.03 0.00 0.00 0.00 0.00 33.22 32.02 1i48 n MET 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i48 n GLY 178 N 0.48 0.97 3.61 3.03 0.00 0.10 -1.48 105.19 111.91 1i48 n GLY 178 Ca 0.04 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1i48 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i48 s ILE 179 N -2.15 4.55 0.15 -0.61 1.01 -0.71 -3.39 121.20 120.04 1i48 s ILE 179 Ca 0.00 1.35 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 1i48 s ILE 179 Cb 0.00 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 1i48 s ILE 179 CO 0.00 -0.54 0.38 0.28 0.00 0.00 0.00 174.94 175.06 1i48 s THR 180 N 3.57 5.16 0.04 2.92 -1.32 -0.61 -3.71 115.64 121.69 1i48 s THR 180 Ca 0.41 0.01 -0.00 0.00 -1.21 0.00 0.00 61.69 60.89 1i48 s THR 180 Cb -0.12 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 67.21 1i48 s THR 180 CO 0.18 0.01 -0.03 0.00 -2.21 0.00 0.00 174.62 172.57 1i48 s ALA 181 N -1.69 0.42 -0.09 11.08 0.00 -1.26 -1.50 121.76 128.72 1i48 s ALA 181 Ca 0.41 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1i48 s ALA 181 Cb -0.12 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 1i48 s ALA 181 CO 0.25 -0.28 -0.24 0.99 0.00 0.00 0.00 175.76 176.48 1i48 s THR 182 N -3.02 2.05 -0.25 0.00 2.01 0.06 -4.94 115.64 111.56 1i48 s THR 182 Ca -0.01 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 1i48 s THR 182 Cb 0.01 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1i48 s THR 182 CO -0.06 0.56 0.15 -0.69 -0.69 0.00 0.00 174.62 173.89 1i48 s VAL 183 N 0.21 5.16 0.26 3.82 1.01 -1.26 -1.47 120.40 128.13 1i48 s VAL 183 Ca -0.15 0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1i48 s VAL 183 Cb -0.17 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1i48 s VAL 183 CO 0.08 0.33 -0.01 0.27 0.00 0.00 0.00 175.10 175.76 1i48 s ILE 184 N 1.27 1.25 0.34 2.22 -4.36 -0.47 -4.86 121.20 116.58 1i48 s ILE 184 Ca 0.07 -2.06 -0.27 0.00 -0.26 0.00 0.00 60.65 58.13 1i48 s ILE 184 Cb -0.14 -2.43 -0.09 0.00 1.25 0.00 0.00 42.46 41.04 1i48 s ILE 184 CO 0.06 -0.28 1.06 -0.62 0.24 0.00 0.00 174.94 175.40 1i48 s ASP 185 N -3.37 7.04 0.38 4.36 2.15 -1.26 -0.35 116.67 125.62 1i48 s ASP 185 Ca 0.30 2.12 0.13 0.00 0.43 0.00 0.00 52.55 55.53 1i48 s ASP 185 Cb 0.05 -2.60 0.96 0.00 -0.30 0.00 0.00 42.92 41.03 1i48 s ASP 185 CO 0.10 -0.29 1.85 -0.65 -0.17 0.00 0.00 175.17 176.01 1i48 h PRO 186 N 3.16 0.52 0.13 4.34 0.11 -1.94 -2.72 132.00 135.60 1i48 h PRO 186 Ca -0.47 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.33 1i48 h PRO 186 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1i48 h PRO 186 CO 0.65 0.35 -1.38 0.00 -0.21 0.00 0.00 178.00 177.40 1i48 h ALA 187 N 1.61 0.12 -0.03 -0.75 0.00 -1.92 -3.44 119.26 114.85 1i48 h ALA 187 Ca 0.48 -1.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1i48 h ALA 187 Cb 1.01 0.41 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1i48 h ALA 187 CO -0.22 0.78 0.57 -3.47 0.00 0.00 0.00 179.25 176.92 1i48 n ASP 188 N -3.90 -0.46 0.19 0.00 -0.08 -1.03 -4.66 116.55 106.62 1i48 n ASP 188 Ca -0.23 -1.86 0.03 0.00 -1.51 0.00 0.00 54.79 51.21 1i48 n ASP 188 Cb 0.92 -1.05 0.37 0.00 2.34 0.00 0.00 41.12 43.71 1i48 n ASP 188 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1i48 h VAL 189 N 6.71 1.26 0.58 5.18 2.07 -1.85 -3.11 116.25 127.08 1i48 h VAL 189 Ca 0.01 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1i48 h VAL 189 Cb 0.97 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1i48 h VAL 189 CO 1.02 0.35 -0.41 1.23 0.02 0.00 0.00 177.57 179.77 1i48 h GLY 190 N 1.07 -1.07 -0.50 2.17 0.00 -1.97 -0.32 103.07 102.44 1i48 h GLY 190 Ca -0.00 0.47 0.14 0.00 0.00 0.00 0.00 47.33 47.94 1i48 h GLY 190 CO 0.05 -0.37 -0.21 0.00 0.00 0.00 0.00 176.54 176.01 1i48 h ALA 191 N -0.69 0.42 0.20 3.60 0.00 -1.94 1.25 119.26 122.11 1i48 h ALA 191 Ca -0.07 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1i48 h ALA 191 Cb 0.80 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1i48 h ALA 191 CO 0.03 -0.45 -0.27 1.25 0.00 0.00 0.00 179.25 179.81 1i48 h LEU 192 N -0.02 -0.74 -0.99 0.00 5.85 -1.48 0.63 115.31 118.55 1i48 h LEU 192 Ca 0.34 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.20 1i48 h LEU 192 Cb 0.55 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1i48 h LEU 192 CO -0.76 -0.37 0.64 -0.08 -0.34 0.00 0.00 178.44 177.52 1i48 h GLU 193 N -0.53 1.14 0.35 1.25 4.81 0.86 0.45 114.58 122.91 1i48 h GLU 193 Ca 0.01 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1i48 h GLU 193 Cb 0.51 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1i48 h GLU 193 CO -0.10 0.76 -0.17 1.25 -0.73 0.00 0.00 179.01 180.02 1i48 h LEU 194 N 1.18 -0.39 -1.31 1.64 5.85 0.24 -3.00 115.31 119.51 1i48 h LEU 194 Ca 0.43 0.01 0.19 0.00 0.84 0.00 0.00 57.88 59.35 1i48 h LEU 194 Cb 0.15 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 1i48 h LEU 194 CO -0.17 -0.27 0.60 0.00 -0.34 0.00 0.00 178.44 178.27 1i48 h ALA 195 N -1.77 1.98 -0.61 1.25 0.00 0.41 0.28 119.26 120.80 1i48 h ALA 195 Ca -0.05 0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1i48 h ALA 195 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1i48 h ALA 195 CO 0.08 -0.28 0.56 1.25 0.00 0.00 0.00 179.25 180.85 1i48 h LEU 196 N 0.57 0.00 0.00 0.00 7.12 0.04 -2.39 115.31 120.65 1i48 h LEU 196 Ca 0.51 0.00 -0.44 0.00 0.13 0.00 0.00 57.88 58.07 1i48 h LEU 196 Cb 1.02 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.08 1i48 h LEU 196 CO -0.25 0.00 -2.48 0.59 -0.13 0.00 0.00 178.44 176.17 1i48 n ASN 197 N -3.87 1.96 -0.02 1.25 3.02 0.89 -4.66 115.26 113.84 1i48 n ASN 197 Ca 0.12 0.24 -0.01 0.00 -0.03 0.00 0.00 54.58 54.90 1i48 n ASN 197 Cb 0.79 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 39.21 1i48 n ASN 197 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1i48 h GLN 198 N -0.78 -0.02 -6.42 3.52 4.20 -0.76 -3.43 115.11 111.41 1i48 h GLN 198 Ca -0.66 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.52 1i48 h GLN 198 Cb 1.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.46 1i48 h GLN 198 CO -0.34 -0.01 -0.14 0.15 -0.67 0.00 0.00 178.83 177.81 1i48 s LYS 199 N -3.19 2.24 -0.74 1.46 3.01 -0.95 -5.06 119.74 116.51 1i48 s LYS 199 Ca -0.01 -1.82 -0.12 0.00 -1.01 0.00 0.00 55.97 53.01 1i48 s LYS 199 Cb 0.01 -2.45 0.19 0.00 -1.01 0.00 0.00 37.83 34.57 1i48 s LYS 199 CO 0.04 -0.86 0.66 0.21 0.51 0.00 0.00 175.35 175.92 1i48 s LYS 200 N -4.58 3.29 0.14 1.68 2.36 -1.26 -4.67 119.74 116.71 1i48 s LYS 200 Ca 0.53 -2.35 -0.30 0.00 -2.55 0.00 0.00 55.97 51.29 1i48 s LYS 200 Cb -0.04 -4.27 -0.08 0.00 -1.05 0.00 0.00 37.83 32.39 1i48 s LYS 200 CO 0.33 -1.27 1.29 0.08 1.55 0.00 0.00 175.35 177.34 1i48 s VAL 201 N 0.35 3.47 -0.07 4.02 1.01 -1.26 -4.24 120.40 123.68 1i48 s VAL 201 Ca 0.15 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 1i48 s VAL 201 Cb -0.15 -3.72 -0.26 0.00 0.00 0.00 0.00 36.38 32.25 1i48 s VAL 201 CO -0.06 0.13 0.56 0.78 0.00 0.00 0.00 175.10 176.51 1i48 h ASN 202 N 6.06 0.32 -3.59 3.32 4.21 -1.25 -3.38 115.58 121.27 1i48 h ASN 202 Ca -0.43 -0.63 0.03 0.00 1.21 0.00 0.00 56.30 56.47 1i48 h ASN 202 Cb 1.21 -0.11 -0.24 0.00 -1.12 0.00 0.00 38.32 38.07 1i48 h ASN 202 CO 0.80 1.56 0.37 -0.22 -1.29 0.00 0.00 177.43 178.65 1i48 s LEU 203 N -6.81 -0.53 -0.25 1.61 0.20 -1.24 -2.04 118.68 109.62 1i48 s LEU 203 Ca -0.15 0.96 -0.09 0.00 0.69 0.00 0.00 54.13 55.55 1i48 s LEU 203 Cb 0.07 2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 47.85 1i48 s LEU 203 CO 0.81 -0.22 0.12 0.12 -0.29 0.00 0.00 176.35 176.89 1i48 s PHE 204 N 0.06 3.19 -0.07 5.38 5.36 0.46 -1.62 117.98 130.74 1i48 s PHE 204 Ca 0.01 -0.07 0.04 0.00 -0.96 0.00 0.00 56.93 55.96 1i48 s PHE 204 Cb -0.04 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1i48 s PHE 204 CO -0.03 -0.14 -0.20 0.12 -1.46 0.00 0.00 175.22 173.51 1i48 s PHE 205 N 1.36 2.10 -0.03 10.12 5.36 0.17 -1.27 117.98 135.79 1i48 s PHE 205 Ca 0.06 -0.76 -0.29 0.00 -0.96 0.00 0.00 56.93 54.98 1i48 s PHE 205 Cb -0.15 -1.42 0.11 0.00 -0.34 0.00 0.00 43.02 41.21 1i48 s PHE 205 CO 0.06 -0.30 0.90 -0.08 -1.46 0.00 0.00 175.22 174.34 1i48 s THR 206 N 0.26 0.00 -0.02 0.12 -1.32 -0.87 -3.73 115.64 110.08 1i48 s THR 206 Ca -0.12 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.37 1i48 s THR 206 Cb -0.15 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.80 1i48 s THR 206 CO 0.05 0.00 -0.03 -1.83 -2.21 0.00 0.00 174.62 170.60 1i48 s GLU 207 N -2.75 2.75 -0.14 7.08 1.03 -1.26 -1.22 118.70 124.18 1i48 s GLU 207 Ca 0.03 -0.60 -0.05 0.00 0.03 0.00 0.00 54.97 54.39 1i48 s GLU 207 Cb -0.01 -2.63 0.07 0.00 -0.80 0.00 0.00 34.13 30.76 1i48 s GLU 207 CO -0.07 0.64 0.29 0.45 -1.33 0.00 0.00 175.26 175.24 1i48 s SER 208 N -1.28 0.24 0.92 0.83 0.15 -1.18 -3.48 113.70 109.90 1i48 s SER 208 Ca 0.17 0.67 -0.11 0.00 0.70 0.00 0.00 55.95 57.37 1i48 s SER 208 Cb -0.11 0.82 0.09 0.00 -1.71 0.00 0.00 66.02 65.11 1i48 s SER 208 CO 0.07 -0.24 0.84 -2.65 1.20 0.00 0.00 173.24 172.46 1i48 n PRO 209 N 5.36 -0.33 -2.66 5.44 -0.02 -1.26 -4.52 135.00 137.02 1i48 n PRO 209 Ca -0.07 -0.04 -0.22 0.00 -2.02 0.00 0.00 63.50 61.15 1i48 n PRO 209 Cb 0.50 -2.16 0.08 0.00 -0.02 0.00 0.00 33.50 31.90 1i48 n PRO 209 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1i48 s THR 210 N -2.48 2.29 -0.04 3.45 -1.32 0.20 -4.72 115.64 113.02 1i48 s THR 210 Ca 0.63 -0.66 0.04 0.00 -1.21 0.00 0.00 61.69 60.49 1i48 s THR 210 Cb -0.23 -2.62 -0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1i48 s THR 210 CO 0.61 0.00 -0.17 0.21 -2.21 0.00 0.00 174.62 173.07 1i48 s ASN 211 N -4.64 2.07 -0.07 8.08 3.04 -1.26 -0.65 114.94 121.51 1i48 s ASN 211 Ca 0.63 -0.34 0.19 0.00 0.04 0.00 0.00 52.86 53.39 1i48 s ASN 211 Cb -0.07 -0.52 0.67 0.00 -1.54 0.00 0.00 41.25 39.79 1i48 s ASN 211 CO 0.42 0.16 1.57 -0.81 -3.04 0.00 0.00 177.10 175.40 1i48 n PRO 212 N 3.08 3.33 -0.48 0.43 -0.04 -1.26 -3.98 135.00 136.08 1i48 n PRO 212 Ca -0.18 -2.76 0.09 0.00 -0.04 0.00 0.00 63.50 60.61 1i48 n PRO 212 Cb 0.53 -1.74 0.30 0.00 -0.04 0.00 0.00 33.50 32.55 1i48 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i48 n PHE 213 N 1.21 1.17 -2.70 0.54 3.72 -1.26 -4.60 117.46 115.55 1i48 n PHE 213 Ca 0.24 -0.49 -0.05 0.00 -0.05 0.00 0.00 57.45 57.10 1i48 n PHE 213 Cb 0.77 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 39.15 1i48 n PHE 213 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i48 n LEU 214 N 1.07 -0.15 -4.78 4.37 4.32 0.18 -4.78 117.00 117.24 1i48 n LEU 214 Ca 0.22 0.31 -0.41 0.00 -0.02 0.00 0.00 56.01 56.11 1i48 n LEU 214 Cb 0.72 -1.13 -0.01 0.00 -1.62 0.00 0.00 43.42 41.38 1i48 n LEU 214 CO 0.19 0.00 1.12 -0.13 -1.22 0.00 0.00 177.39 177.36 1i48 s ARG 215 N -5.22 4.14 0.10 3.23 1.81 -1.26 -3.89 118.95 117.86 1i48 s ARG 215 Ca 0.08 2.52 0.06 0.00 -1.72 0.00 0.00 55.73 56.67 1i48 s ARG 215 Cb -0.05 -2.99 -0.04 0.00 -0.45 0.00 0.00 34.95 31.43 1i48 s ARG 215 CO 0.10 -0.49 -0.05 0.00 -0.68 0.00 0.00 175.30 174.18 1i48 s VAL 217 N -1.27 3.10 -1.15 0.00 1.01 -1.26 -4.73 120.40 116.10 1i48 s VAL 217 Ca 0.24 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1i48 s VAL 217 Cb -0.11 -2.29 -0.12 0.00 0.00 0.00 0.00 36.38 33.86 1i48 s VAL 217 CO 0.16 0.53 1.96 -0.67 0.00 0.00 0.00 175.10 177.08 1i48 n ASP 218 N 3.35 2.76 0.00 3.32 -0.08 -1.26 -4.79 116.55 119.84 1i48 n ASP 218 Ca -0.18 -2.66 0.00 0.00 -1.51 0.00 0.00 54.79 50.44 1i48 n ASP 218 Cb 0.53 -1.71 0.00 0.00 2.34 0.00 0.00 41.12 42.28 1i48 n ASP 218 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1i48 n ILE 219 N 7.94 0.00 -0.25 5.18 5.41 -1.26 -0.86 119.36 135.53 1i48 n ILE 219 Ca 0.44 1.45 -0.03 0.00 1.00 0.00 0.00 62.75 65.62 1i48 n ILE 219 Cb 0.46 -1.96 -0.01 0.00 -0.71 0.00 0.00 39.64 37.43 1i48 n ILE 219 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1i48 n GLU 220 N -2.79 -0.19 0.39 0.38 2.13 -1.20 0.87 120.64 120.23 1i48 n GLU 220 Ca 0.00 0.95 -0.17 0.00 0.66 0.00 0.00 57.16 58.61 1i48 n GLU 220 Cb 0.00 -1.41 -0.08 0.00 0.27 0.00 0.00 31.44 30.22 1i48 n GLU 220 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1i48 h LEU 221 N 0.00 -0.99 -0.55 4.31 5.85 -1.56 -2.40 115.31 119.97 1i48 h LEU 221 Ca 0.17 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1i48 h LEU 221 Cb 0.33 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 1i48 h LEU 221 CO -0.61 -0.65 -0.06 0.58 -0.34 0.00 0.00 178.44 177.36 1i48 h VAL 222 N -1.05 0.51 -0.89 1.05 2.07 0.13 0.12 116.25 118.18 1i48 h VAL 222 Ca -0.10 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.59 1i48 h VAL 222 Cb 0.82 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 1i48 h VAL 222 CO 0.13 0.01 0.44 0.28 0.02 0.00 0.00 177.57 178.45 1i48 h SER 223 N 0.06 0.46 0.67 0.57 0.02 0.55 -0.38 113.55 115.51 1i48 h SER 223 Ca 0.27 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.32 1i48 h SER 223 Cb 0.43 0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.04 1i48 h SER 223 CO -0.51 0.10 -0.32 0.50 -1.14 0.00 0.00 176.83 175.46 1i48 h LYS 224 N 0.52 -0.87 -0.87 3.45 3.64 -0.26 -0.35 116.57 121.83 1i48 h LYS 224 Ca 0.53 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 60.13 1i48 h LYS 224 Cb 0.92 0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 32.84 1i48 h LYS 224 CO -0.45 -0.55 0.45 -0.07 -2.27 0.00 0.00 179.45 176.56 1i48 h LEU 225 N -1.06 0.53 0.26 5.20 3.38 -0.62 -1.19 115.31 121.81 1i48 h LEU 225 Ca -0.09 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1i48 h LEU 225 Cb 0.73 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1i48 h LEU 225 CO 0.15 0.20 -0.12 0.00 0.09 0.00 0.00 178.44 178.76 1i48 h HIS 227 N -0.91 0.00 -0.25 0.00 3.86 -0.81 0.50 115.15 117.54 1i48 h HIS 227 Ca -0.04 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.04 1i48 h HIS 227 Cb 0.50 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1i48 h HIS 227 CO 0.05 0.00 -0.41 1.49 0.86 0.00 0.00 177.93 179.92 1i48 h GLU 228 N 0.00 0.60 -0.65 2.45 4.81 -1.17 -2.77 114.58 117.85 1i48 h GLU 228 Ca 0.09 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1i48 h GLU 228 Cb 0.81 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1i48 h GLU 228 CO -0.00 0.90 0.00 1.63 -0.73 0.00 0.00 179.01 180.81 1i48 n LYS 229 N -4.03 3.45 -0.90 1.92 4.76 0.17 -4.92 118.16 118.61 1i48 n LYS 229 Ca -0.02 -2.60 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 1i48 n LYS 229 Cb 0.52 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1i48 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i48 n GLY 230 N 1.11 0.60 3.75 0.72 0.00 -0.71 -4.89 105.19 105.77 1i48 n GLY 230 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1i48 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 s ALA 231 N -2.70 1.85 0.02 4.61 0.00 -0.77 -4.92 121.76 119.84 1i48 s ALA 231 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1i48 s ALA 231 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1i48 s ALA 231 CO 0.00 -2.09 0.01 -0.51 0.00 0.00 0.00 175.76 173.17 1i48 s LEU 232 N -6.05 3.54 -0.22 0.00 1.43 -0.87 -4.01 118.68 112.51 1i48 s LEU 232 Ca 0.62 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1i48 s LEU 232 Cb -0.17 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1i48 s LEU 232 CO 0.56 0.26 -0.12 -0.69 0.23 0.00 0.00 176.35 176.59 1i48 s VAL 233 N -1.14 2.51 -0.18 -1.59 1.01 -1.26 0.17 120.40 119.93 1i48 s VAL 233 Ca 0.21 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1i48 s VAL 233 Cb -0.12 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1i48 s VAL 233 CO 0.12 0.33 -0.18 0.00 0.00 0.00 0.00 175.10 175.38 1i48 s ILE 235 N 1.33 3.71 -0.88 0.00 -1.09 0.21 -2.04 121.20 122.44 1i48 s ILE 235 Ca 0.04 -0.46 -0.14 0.00 -2.23 0.00 0.00 60.65 57.86 1i48 s ILE 235 Cb -0.14 -2.54 0.22 0.00 -1.58 0.00 0.00 42.46 38.42 1i48 s ILE 235 CO -0.12 0.57 0.86 -0.62 -1.23 0.00 0.00 174.94 174.40 1i48 s ASP 236 N -0.51 6.84 -0.03 3.58 -1.08 -0.36 -1.59 116.67 123.51 1i48 s ASP 236 Ca 0.08 -2.77 0.00 0.00 -0.52 0.00 0.00 52.55 49.34 1i48 s ASP 236 Cb -0.12 -2.23 0.05 0.00 -1.46 0.00 0.00 42.92 39.16 1i48 s ASP 236 CO 0.02 -0.58 1.07 0.61 0.52 0.00 0.00 175.17 176.81 1i48 n GLY 237 N 3.93 2.19 0.16 2.66 0.00 -1.01 -3.11 105.19 110.01 1i48 n GLY 237 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1i48 n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i48 h THR 238 N 0.08 0.00 -0.92 2.61 2.02 -1.88 0.16 112.91 114.98 1i48 h THR 238 Ca 0.05 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.43 1i48 h THR 238 Cb 1.14 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1i48 h THR 238 CO 0.08 0.00 0.60 -0.26 0.37 0.00 0.00 175.52 176.31 1i48 h PHE 239 N -0.24 0.60 0.13 3.16 0.04 -1.85 -3.08 116.94 115.70 1i48 h PHE 239 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1i48 h PHE 239 Cb 0.25 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1i48 h PHE 239 CO -0.38 0.15 -0.06 0.00 -0.60 0.00 0.00 178.31 177.42 1i48 h ALA 240 N 1.61 -0.70 0.00 2.45 0.00 -1.53 -3.42 119.26 117.68 1i48 h ALA 240 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1i48 h ALA 240 Cb 1.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1i48 h ALA 240 CO -0.20 -0.69 0.00 2.41 0.00 0.00 0.00 179.25 180.78 1i48 n THR 241 N -2.66 -0.19 0.26 0.00 -1.04 0.45 -4.18 114.28 106.93 1i48 n THR 241 Ca -0.02 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.11 1i48 n THR 241 Cb 0.07 -0.05 0.65 0.00 -1.82 0.00 0.00 70.33 69.18 1i48 n THR 241 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1i48 h PRO 242 N 0.00 0.00 0.11 -2.82 0.13 -1.83 -0.21 132.00 127.38 1i48 h PRO 242 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 1i48 h PRO 242 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1i48 h PRO 242 CO 0.00 0.00 -1.20 -0.07 -0.23 0.00 0.00 178.00 176.50 1i48 h LEU 243 N 0.00 0.66 -0.17 1.56 3.38 -1.93 -3.30 115.31 115.51 1i48 h LEU 243 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1i48 h LEU 243 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1i48 h LEU 243 CO 0.00 1.45 -0.17 0.59 0.09 0.00 0.00 178.44 180.41 1i48 n ASN 244 N -3.70 0.43 -3.65 -0.43 3.02 -0.11 -4.83 115.26 106.00 1i48 n ASN 244 Ca -0.11 -0.36 -0.03 0.00 -0.03 0.00 0.00 54.58 54.05 1i48 n ASN 244 Cb 0.97 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 40.01 1i48 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i48 s GLN 245 N -2.65 0.07 -0.73 3.52 -2.07 -1.12 -1.78 119.66 114.91 1i48 s GLN 245 Ca 0.23 0.06 0.03 0.00 -1.82 0.00 0.00 55.36 53.86 1i48 s GLN 245 Cb 0.19 0.04 0.30 0.00 -1.09 0.00 0.00 33.01 32.45 1i48 s GLN 245 CO 0.52 -0.01 1.09 1.63 -1.32 0.00 0.00 175.29 177.20 1i48 n LYS 246 N 1.21 3.52 -0.40 9.60 4.76 -1.26 -4.30 118.16 131.28 1i48 n LYS 246 Ca -0.07 -4.74 0.33 0.00 -2.87 0.00 0.00 58.31 50.96 1i48 n LYS 246 Cb 0.58 -2.31 0.56 0.00 -1.84 0.00 0.00 35.03 32.01 1i48 n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i48 n ALA 247 N 0.31 1.14 -0.03 7.82 0.00 -1.26 0.14 120.51 128.63 1i48 n ALA 247 Ca 0.33 0.69 -0.10 0.00 0.00 0.00 0.00 53.44 54.35 1i48 n ALA 247 Cb 0.37 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 1i48 n ALA 247 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i48 h LEU 248 N 0.00 0.18 -1.33 0.00 3.38 -1.85 -1.29 115.31 114.40 1i48 h LEU 248 Ca 0.72 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.62 1i48 h LEU 248 Cb 2.36 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 43.06 1i48 h LEU 248 CO -0.35 0.13 -0.20 0.00 0.09 0.00 0.00 178.44 178.12 1i48 h ALA 249 N 1.07 1.45 0.00 1.53 0.00 0.99 -1.55 119.26 122.75 1i48 h ALA 249 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1i48 h ALA 249 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1i48 h ALA 249 CO -0.02 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.90 1i48 n LEU 250 N -4.22 0.02 0.00 0.00 4.77 -0.69 -4.82 117.00 112.05 1i48 n LEU 250 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1i48 n LEU 250 Cb 0.31 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1i48 n LEU 250 CO 0.38 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1i48 n GLY 251 N -0.38 2.00 3.57 -0.72 0.00 -0.59 -3.25 105.19 105.83 1i48 n GLY 251 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1i48 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 n ALA 252 N -0.04 -0.20 -0.04 4.61 0.00 -0.57 -4.93 120.51 119.34 1i48 n ALA 252 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 1i48 n ALA 252 Cb 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 19.45 17.29 1i48 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i48 h ASP 253 N 0.51 0.18 -4.08 0.00 3.32 -1.23 -3.41 116.42 111.71 1i48 h ASP 253 Ca -0.47 -0.85 -0.33 0.00 0.02 0.00 0.00 57.03 55.39 1i48 h ASP 253 Cb 1.37 -0.06 -0.27 0.00 0.22 0.00 0.00 39.33 40.59 1i48 h ASP 253 CO 0.50 1.32 -0.76 -0.76 -1.72 0.00 0.00 179.24 177.82 1i48 s LEU 254 N -7.93 2.06 -0.01 1.55 1.43 -0.70 -4.20 118.68 110.87 1i48 s LEU 254 Ca -0.20 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1i48 s LEU 254 Cb 0.01 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 1i48 s LEU 254 CO 0.71 0.03 -0.16 0.54 0.23 0.00 0.00 176.35 177.71 1i48 s VAL 255 N -0.36 1.24 -0.05 -1.59 0.11 -0.64 -0.62 120.40 118.49 1i48 s VAL 255 Ca 0.00 -0.69 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 1i48 s VAL 255 Cb -0.04 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1i48 s VAL 255 CO -0.00 0.34 0.18 -1.48 -3.33 0.00 0.00 175.10 170.81 1i48 s LEU 256 N -0.41 1.33 0.16 2.54 0.05 -0.62 -0.66 118.68 121.07 1i48 s LEU 256 Ca 0.06 0.21 0.05 0.00 0.05 0.00 0.00 54.13 54.50 1i48 s LEU 256 Cb -0.06 0.68 -0.05 0.00 -2.05 0.00 0.00 46.19 44.72 1i48 s LEU 256 CO -0.00 -0.16 -0.11 -1.00 -0.55 0.00 0.00 176.35 174.53 1i48 s HIS 257 N -0.35 1.37 -1.02 3.48 0.09 -1.01 -2.40 115.29 115.44 1i48 s HIS 257 Ca -0.04 -0.73 -0.12 0.00 -0.00 0.00 0.00 55.06 54.17 1i48 s HIS 257 Cb -0.03 -0.68 0.23 0.00 -0.00 0.00 0.00 32.58 32.10 1i48 s HIS 257 CO 0.01 0.13 1.05 0.45 -0.00 0.00 0.00 174.74 176.39 1i48 s SER 258 N -3.20 7.06 0.34 1.40 0.15 -1.26 -2.35 113.70 115.83 1i48 s SER 258 Ca 0.18 -3.10 0.05 0.00 0.70 0.00 0.00 55.95 53.79 1i48 s SER 258 Cb 0.02 -2.25 0.29 0.00 -1.71 0.00 0.00 66.02 62.36 1i48 s SER 258 CO 0.02 -0.51 0.97 0.00 1.20 0.00 0.00 173.24 174.93 1i48 h ALA 259 N 7.27 1.39 -0.18 5.45 0.00 -1.26 0.43 119.26 132.37 1i48 h ALA 259 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1i48 h ALA 259 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1i48 h ALA 259 CO 0.97 -0.39 0.15 1.15 0.00 0.00 0.00 179.25 181.13 1i48 h THR 260 N 0.00 0.72 0.00 0.00 2.02 -1.61 -1.92 112.91 112.11 1i48 h THR 260 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i48 h THR 260 Cb 1.17 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1i48 h THR 260 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1i48 n LYS 261 N -4.20 0.00 -0.07 6.66 4.76 0.15 -4.60 118.16 120.86 1i48 n LYS 261 Ca 0.01 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.35 1i48 n LYS 261 Cb 0.28 -0.12 -0.08 0.00 -1.84 0.00 0.00 35.03 33.27 1i48 n LYS 261 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1i48 h PHE 262 N 0.00 0.00 -0.92 2.13 0.04 -1.74 -0.90 116.94 115.54 1i48 h PHE 262 Ca 0.00 0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.03 1i48 h PHE 262 Cb 0.00 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 37.99 1i48 h PHE 262 CO 0.00 0.70 0.19 -0.07 -0.60 0.00 0.00 178.31 178.53 1i48 h LEU 263 N -1.00 -0.13 0.09 1.54 3.38 -1.86 0.25 115.31 117.58 1i48 h LEU 263 Ca -0.07 0.23 -0.31 0.00 0.09 0.00 0.00 57.88 57.82 1i48 h LEU 263 Cb 0.72 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1i48 h LEU 263 CO -0.04 -0.25 -1.66 1.23 0.09 0.00 0.00 178.44 177.81 1i48 h GLY 264 N 0.12 0.22 -4.27 0.83 0.00 -1.51 -3.24 103.07 95.21 1i48 h GLY 264 Ca 0.59 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1i48 h GLY 264 CO -0.75 0.48 0.00 0.61 0.00 0.00 0.00 176.54 176.88 1i48 n GLY 265 N 1.70 -0.38 0.00 4.60 0.00 0.87 -4.66 105.19 107.32 1i48 n GLY 265 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1i48 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i48 n HIS 266 N -2.13 0.00 -3.71 1.61 8.25 -1.26 -1.18 115.22 116.80 1i48 n HIS 266 Ca 0.00 -0.10 -0.28 0.00 -0.26 0.00 0.00 57.72 57.08 1i48 n HIS 266 Cb 0.38 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.49 1i48 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i48 n ASN 267 N -0.10 -4.32 -0.40 0.41 3.02 -1.26 -4.84 115.26 107.76 1i48 n ASN 267 Ca 0.00 -0.64 0.03 0.00 -0.03 0.00 0.00 54.58 53.94 1i48 n ASN 267 Cb 0.20 -3.50 0.04 0.00 -0.61 0.00 0.00 39.78 35.91 1i48 n ASN 267 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1i48 n ASP 268 N -2.59 0.71 -3.59 6.41 5.75 -1.26 -5.08 116.55 116.90 1i48 n ASP 268 Ca 0.02 -2.33 -0.10 0.00 -0.01 0.00 0.00 54.79 52.37 1i48 n ASP 268 Cb 0.53 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.30 1i48 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i48 s VAL 269 N -0.86 0.00 0.02 2.12 0.11 -1.26 -5.12 120.40 115.42 1i48 s VAL 269 Ca 0.10 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.20 1i48 s VAL 269 Cb 0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1i48 s VAL 269 CO 0.00 0.00 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.92 1i48 s LEU 270 N -0.95 3.03 -0.29 2.54 1.43 -1.26 -4.44 118.68 118.74 1i48 s LEU 270 Ca -0.01 -0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 1i48 s LEU 270 Cb -0.01 -1.75 0.19 0.00 0.03 0.00 0.00 46.19 44.65 1i48 s LEU 270 CO 0.00 0.27 1.42 0.00 0.23 0.00 0.00 176.35 178.27 1i48 s ALA 271 N -0.99 -2.19 0.28 4.21 0.00 -1.20 -4.67 121.76 117.20 1i48 s ALA 271 Ca 0.17 1.76 0.08 0.00 0.00 0.00 0.00 51.96 53.97 1i48 s ALA 271 Cb -0.11 -1.69 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 1i48 s ALA 271 CO 0.07 -0.15 -0.10 0.20 0.00 0.00 0.00 175.76 175.79 1i48 s GLY 272 N -0.39 1.83 -0.15 0.00 0.00 -1.21 -0.73 107.32 106.67 1i48 s GLY 272 Ca 0.08 -1.89 -0.28 0.00 0.00 0.00 0.00 44.72 42.63 1i48 s GLY 272 CO -0.13 -1.88 0.69 0.00 0.00 0.00 0.00 173.10 171.78 1i48 s ILE 274 N -0.45 1.19 0.04 0.00 1.01 0.15 -2.41 121.20 120.74 1i48 s ILE 274 Ca -0.06 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1i48 s ILE 274 Cb -0.02 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1i48 s ILE 274 CO 0.06 0.36 -0.16 -0.44 0.00 0.00 0.00 174.94 174.75 1i48 s SER 275 N 0.34 1.92 0.00 3.58 0.01 0.16 0.13 113.70 119.85 1i48 s SER 275 Ca -0.09 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1i48 s SER 275 Cb -0.13 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1i48 s SER 275 CO 0.03 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1i48 n GLY 276 N 1.84 -0.88 3.77 3.44 0.00 -0.22 -1.62 105.19 111.53 1i48 n GLY 276 Ca -0.18 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1i48 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i48 s PRO 277 N -0.99 4.13 0.09 1.61 0.04 -1.26 -1.77 135.00 136.84 1i48 s PRO 277 Ca 0.00 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 1i48 s PRO 277 Cb 0.00 -2.93 -0.11 0.00 0.04 0.00 0.00 34.50 31.50 1i48 s PRO 277 CO 0.00 -0.43 1.44 1.25 0.04 0.00 0.00 177.00 179.30 1i48 h LEU 278 N 3.01 -1.32 -1.72 -3.56 6.46 -1.89 0.93 115.31 117.20 1i48 h LEU 278 Ca -0.50 0.15 0.51 0.00 -0.12 0.00 0.00 57.88 57.92 1i48 h LEU 278 Cb 1.24 0.50 -0.08 0.00 -0.73 0.00 0.00 40.66 41.59 1i48 h LEU 278 CO 0.64 -0.42 1.22 1.17 -0.62 0.00 0.00 178.44 180.43 1i48 n LYS 279 N -4.86 -0.01 -0.05 1.25 0.00 -1.26 -1.16 118.16 112.07 1i48 n LYS 279 Ca -0.06 1.03 -0.04 0.00 0.00 0.00 0.00 58.31 59.24 1i48 n LYS 279 Cb 0.32 -2.30 -0.01 0.00 0.00 0.00 0.00 35.03 33.03 1i48 n LYS 279 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1i48 n LEU 280 N -3.92 1.28 -0.28 3.14 4.77 -0.22 -4.25 117.00 117.52 1i48 n LEU 280 Ca 0.40 0.45 0.09 0.00 -0.03 0.00 0.00 56.01 56.93 1i48 n LEU 280 Cb 1.79 -0.74 0.23 0.00 -2.33 0.00 0.00 43.42 42.37 1i48 n LEU 280 CO 0.36 -0.45 0.89 1.62 -1.33 0.00 0.00 177.39 178.49 1i48 h VAL 281 N -0.70 0.34 -0.69 4.08 3.04 -0.24 -0.31 116.25 121.77 1i48 h VAL 281 Ca 0.00 -0.06 0.12 0.00 -1.01 0.00 0.00 66.70 65.75 1i48 h VAL 281 Cb 0.43 0.15 -0.09 0.00 -2.01 0.00 0.00 31.29 29.78 1i48 h VAL 281 CO 0.00 0.03 0.25 0.77 -1.01 0.00 0.00 177.57 177.61 1i48 h SER 282 N 0.17 0.21 -0.85 3.17 4.64 -1.36 0.73 113.55 120.26 1i48 h SER 282 Ca 0.48 0.10 0.17 0.00 -0.47 0.00 0.00 61.79 62.08 1i48 h SER 282 Cb 0.92 0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 63.04 1i48 h SER 282 CO -0.65 0.10 0.56 -0.33 -0.87 0.00 0.00 176.83 175.64 1i48 h GLU 283 N 0.40 0.44 0.00 4.77 4.39 -1.22 -0.70 114.58 122.67 1i48 h GLU 283 Ca 0.37 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.01 1i48 h GLU 283 Cb 0.53 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1i48 h GLU 283 CO -0.38 0.29 -0.11 0.82 -1.16 0.00 0.00 179.01 178.48 1i48 h ILE 284 N 0.46 1.61 -0.98 3.13 2.04 -0.91 -3.21 117.51 119.66 1i48 h ILE 284 Ca 0.43 -1.95 0.24 0.00 1.00 0.00 0.00 64.86 64.58 1i48 h ILE 284 Cb 0.98 2.90 -0.13 0.00 -0.74 0.00 0.00 36.82 39.84 1i48 h ILE 284 CO -0.16 0.52 0.55 -0.09 0.00 0.00 0.00 178.15 178.96 1i48 h ARG 285 N -0.69 0.51 0.82 2.37 2.43 -0.13 0.36 114.38 120.04 1i48 h ARG 285 Ca -0.01 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1i48 h ARG 285 Cb 0.91 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1i48 h ARG 285 CO 0.02 0.34 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.43 1i48 h ASN 286 N 0.53 -1.21 -0.53 -3.80 4.21 -1.22 0.16 115.58 113.72 1i48 h ASN 286 Ca 0.63 0.06 0.12 0.00 1.21 0.00 0.00 56.30 58.33 1i48 h ASN 286 Cb 1.21 0.35 -0.03 0.00 -1.12 0.00 0.00 38.32 38.73 1i48 h ASN 286 CO -0.49 -0.75 0.37 0.25 -1.29 0.00 0.00 177.43 175.51 1i48 h LEU 287 N -1.21 0.15 -0.32 1.61 5.85 -1.18 -0.48 115.31 119.73 1i48 h LEU 287 Ca -0.11 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1i48 h LEU 287 Cb 0.96 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1i48 h LEU 287 CO 0.12 0.09 0.07 -0.74 -0.34 0.00 0.00 178.44 177.65 1i48 h HIS 288 N 0.17 0.55 -0.10 1.25 2.76 0.57 -1.44 115.15 118.90 1i48 h HIS 288 Ca 0.25 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1i48 h HIS 288 Cb 0.76 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.57 1i48 h HIS 288 CO -0.00 0.58 0.26 0.45 -1.30 0.00 0.00 177.93 177.91 1i48 h HIS 289 N 0.37 0.00 0.00 5.26 3.86 0.10 0.49 115.15 125.23 1i48 h HIS 289 Ca 0.10 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1i48 h HIS 289 Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1i48 h HIS 289 CO 0.02 0.00 -0.65 0.82 0.86 0.00 0.00 177.93 178.97 1i48 h ILE 290 N 0.00 0.24 0.00 2.45 2.04 -1.25 -3.35 117.51 117.64 1i48 h ILE 290 Ca 0.05 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1i48 h ILE 290 Cb 0.56 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1i48 h ILE 290 CO -0.00 0.08 0.00 0.18 0.00 0.00 0.00 178.15 178.41 1i48 n LEU 291 N -4.58 0.38 -3.44 1.44 4.77 -0.61 -4.89 117.00 110.07 1i48 n LEU 291 Ca -0.13 0.68 -0.29 0.00 -0.03 0.00 0.00 56.01 56.24 1i48 n LEU 291 Cb 0.35 -0.72 0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1i48 n LEU 291 CO 0.12 -0.80 -0.18 0.61 -1.33 0.00 0.00 177.39 175.82 1i48 n GLY 292 N -1.34 -0.49 0.52 -0.72 0.00 0.14 -4.92 105.19 98.38 1i48 n GLY 292 Ca -0.01 1.01 0.07 0.00 0.00 0.00 0.00 46.02 47.09 1i48 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i48 n GLY 293 N -0.64 4.70 3.39 -0.02 0.00 -1.26 -5.08 105.19 106.28 1i48 n GLY 293 Ca -0.10 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1i48 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 n ALA 294 N -1.07 -2.29 -2.67 4.61 0.00 -1.26 -2.05 120.51 115.78 1i48 n ALA 294 Ca 0.17 0.20 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 1i48 n ALA 294 Cb 0.71 -1.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1i48 n ALA 294 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i48 s LEU 295 N 2.96 4.31 0.32 0.00 2.96 -1.26 -4.54 118.68 123.42 1i48 s LEU 295 Ca 0.62 0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 55.05 1i48 s LEU 295 Cb -0.68 -2.65 -0.10 0.00 0.50 0.00 0.00 46.19 43.26 1i48 s LEU 295 CO 0.60 0.07 1.38 0.21 -1.32 0.00 0.00 176.35 177.29 1i48 s ASN 296 N 0.28 6.66 0.13 3.68 3.84 -1.26 -4.85 114.94 123.41 1i48 s ASN 296 Ca 0.25 2.75 -0.32 0.00 0.21 0.00 0.00 52.86 55.75 1i48 s ASN 296 Cb -0.15 -2.65 -0.10 0.00 -0.55 0.00 0.00 41.25 37.81 1i48 s ASN 296 CO 0.10 -0.64 1.56 -0.65 -2.79 0.00 0.00 177.10 174.68 1i48 h PRO 297 N 3.79 -0.51 -1.00 0.43 0.11 -1.97 0.41 132.00 133.26 1i48 h PRO 297 Ca -0.48 0.03 0.34 0.00 0.11 0.00 0.00 66.00 66.00 1i48 h PRO 297 Cb 1.23 0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.29 1i48 h PRO 297 CO 0.69 -0.34 0.54 -0.91 -0.21 0.00 0.00 178.00 177.77 1i48 h ASN 298 N -0.53 0.43 0.35 -2.05 2.35 -1.92 0.76 115.58 114.98 1i48 h ASN 298 Ca 0.06 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 1i48 h ASN 298 Cb 0.66 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1i48 h ASN 298 CO -0.45 -0.22 -0.17 0.00 -1.65 0.00 0.00 177.43 174.94 1i48 h ALA 299 N 1.89 -0.47 -0.41 -0.83 0.00 -1.34 -2.09 119.26 116.01 1i48 h ALA 299 Ca 0.76 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.60 1i48 h ALA 299 Cb 1.79 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.67 1i48 h ALA 299 CO -0.66 -0.69 -0.32 0.00 0.00 0.00 0.00 179.25 177.59 1i48 h ALA 300 N -0.04 -0.15 0.08 0.00 0.00 0.16 -2.26 119.26 117.05 1i48 h ALA 300 Ca -0.05 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1i48 h ALA 300 Cb 0.45 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1i48 h ALA 300 CO 0.08 -0.71 -0.40 -0.92 0.00 0.00 0.00 179.25 177.30 1i48 h TYR 301 N -0.24 -1.12 -0.97 0.00 3.20 -0.73 -0.02 116.97 117.10 1i48 h TYR 301 Ca 0.18 0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.38 1i48 h TYR 301 Cb 0.53 0.48 -0.15 0.00 1.54 0.00 0.00 36.73 39.14 1i48 h TYR 301 CO -0.54 -0.50 0.45 -0.07 -1.64 0.00 0.00 178.16 175.87 1i48 h LEU 302 N -0.61 0.32 0.39 2.82 3.38 -0.84 0.58 115.31 121.35 1i48 h LEU 302 Ca 0.03 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1i48 h LEU 302 Cb 0.65 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1i48 h LEU 302 CO -0.26 -0.18 -0.19 0.40 0.09 0.00 0.00 178.44 178.31 1i48 h ILE 303 N 0.25 0.55 -0.97 1.22 2.04 -0.70 0.04 117.51 119.94 1i48 h ILE 303 Ca 0.69 -0.50 0.25 0.00 1.00 0.00 0.00 64.86 66.30 1i48 h ILE 303 Cb 1.55 0.77 -0.13 0.00 -0.74 0.00 0.00 36.82 38.28 1i48 h ILE 303 CO -0.65 0.08 0.53 0.40 0.00 0.00 0.00 178.15 178.51 1i48 h ILE 304 N -0.84 0.47 -0.48 -0.67 2.04 0.12 0.63 117.51 118.78 1i48 h ILE 304 Ca -0.05 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 1i48 h ILE 304 Cb 0.54 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1i48 h ILE 304 CO 0.09 0.09 -0.16 -0.09 0.00 0.00 0.00 178.15 178.07 1i48 h ARG 305 N 0.48 0.93 -0.35 2.37 2.43 0.24 -3.07 114.38 117.41 1i48 h ARG 305 Ca 0.64 -0.36 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 1i48 h ARG 305 Cb 1.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1i48 h ARG 305 CO -0.52 1.02 -0.22 0.78 -1.51 0.00 0.00 179.97 179.52 1i48 h GLY 306 N 0.94 0.84 2.00 2.80 0.00 0.21 -2.81 103.07 107.05 1i48 h GLY 306 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1i48 h GLY 306 CO 0.05 0.72 0.00 1.03 0.00 0.00 0.00 176.54 178.34 1i48 n MET 307 N -4.26 0.08 0.29 4.80 2.81 0.71 -1.51 117.12 120.04 1i48 n MET 307 Ca -0.02 0.49 0.15 0.00 -1.81 0.00 0.00 57.70 56.50 1i48 n MET 307 Cb 0.44 -1.71 0.86 0.00 -0.71 0.00 0.00 33.22 32.09 1i48 n MET 307 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i48 h LYS 308 N 0.00 0.00 -0.15 0.03 1.79 -1.40 -2.50 116.57 114.33 1i48 h LYS 308 Ca 0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1i48 h LYS 308 Cb 0.10 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.56 1i48 h LYS 308 CO 0.00 0.05 -0.73 0.25 -1.08 0.00 0.00 179.45 177.93 1i48 n THR 309 N -3.73 1.65 0.18 -0.16 -2.24 -0.57 -4.75 114.28 104.66 1i48 n THR 309 Ca -0.03 -2.83 -0.08 0.00 -2.27 0.00 0.00 64.05 58.85 1i48 n THR 309 Cb 0.14 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 1i48 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i48 h LEU 310 N 1.31 -0.52 -0.39 3.22 5.85 -1.47 -2.11 115.31 121.20 1i48 h LEU 310 Ca -0.01 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1i48 h LEU 310 Cb 1.33 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.43 1i48 h LEU 310 CO 0.16 -0.31 -0.54 1.12 -0.34 0.00 0.00 178.44 178.52 1i48 h HIS 311 N -0.50 -1.65 -0.96 1.25 2.07 -1.90 0.25 115.15 113.70 1i48 h HIS 311 Ca -0.04 0.08 0.16 0.00 -2.85 0.00 0.00 60.37 57.72 1i48 h HIS 311 Cb 0.40 0.77 -0.16 0.00 2.57 0.00 0.00 27.41 30.99 1i48 h HIS 311 CO 0.02 -0.49 -0.35 -0.07 -3.07 0.00 0.00 177.93 173.97 1i48 h LEU 312 N -0.41 -1.27 0.24 6.12 -0.00 -1.92 0.11 115.31 118.18 1i48 h LEU 312 Ca 0.08 0.30 -0.01 0.00 -0.00 0.00 0.00 57.88 58.25 1i48 h LEU 312 Cb 0.60 0.70 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1i48 h LEU 312 CO -0.58 -0.30 -0.12 0.03 -0.00 0.00 0.00 178.44 177.47 1i48 h ARG 313 N -0.01 -0.32 -0.90 1.13 3.08 -0.51 -2.86 114.38 113.99 1i48 h ARG 313 Ca 0.37 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.62 1i48 h ARG 313 Cb 0.63 0.07 -0.17 0.00 0.08 0.00 0.00 29.97 30.58 1i48 h ARG 313 CO -0.97 -0.21 -0.23 0.28 -1.07 0.00 0.00 179.97 177.76 1i48 n VAL 314 N -3.08 -0.39 0.00 2.04 0.31 -0.04 -0.67 118.33 116.50 1i48 n VAL 314 Ca -0.04 2.07 0.00 0.00 -0.01 0.00 0.00 64.34 66.36 1i48 n VAL 314 Cb 0.13 -2.85 0.00 0.00 -0.91 0.00 0.00 33.84 30.21 1i48 n VAL 314 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i48 n GLN 315 N -5.46 0.00 -0.31 5.55 6.02 0.36 0.45 117.38 123.99 1i48 n GLN 315 Ca 0.14 0.68 0.13 0.00 -0.01 0.00 0.00 57.00 57.94 1i48 n GLN 315 Cb 0.44 -1.41 0.28 0.00 1.02 0.00 0.00 30.24 30.58 1i48 n GLN 315 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1i48 h GLN 316 N 0.00 0.09 0.30 -1.09 5.75 -0.68 -0.29 115.11 119.19 1i48 h GLN 316 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1i48 h GLN 316 Cb 0.00 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1i48 h GLN 316 CO 0.00 0.06 -0.14 1.96 -2.65 0.00 0.00 178.83 178.05 1i48 h GLN 317 N 0.09 -0.38 -0.86 1.69 4.20 -0.24 -2.18 115.11 117.42 1i48 h GLN 317 Ca 0.56 0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.52 1i48 h GLN 317 Cb 1.15 0.09 -0.14 0.00 0.30 0.00 0.00 27.48 28.88 1i48 h GLN 317 CO -0.78 -0.17 0.21 -0.91 -0.67 0.00 0.00 178.83 176.51 1i48 h ASN 318 N -0.53 -0.03 0.00 1.46 2.35 0.18 -0.91 115.58 118.09 1i48 h ASN 318 Ca -0.04 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1i48 h ASN 318 Cb 0.39 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1i48 h ASN 318 CO 0.07 -0.15 0.00 -1.20 -1.65 0.00 0.00 177.43 174.50 1i48 n SER 319 N -5.23 0.00 -0.22 5.81 7.64 -0.86 -2.27 113.62 118.49 1i48 n SER 319 Ca 0.20 0.64 0.07 0.00 1.01 0.00 0.00 58.87 60.79 1i48 n SER 319 Cb 0.64 -0.22 0.14 0.00 -1.01 0.00 0.00 64.21 63.77 1i48 n SER 319 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i48 n THR 320 N -1.15 -0.26 0.03 0.44 -1.04 -0.84 -0.34 114.28 111.11 1i48 n THR 320 Ca 0.00 1.38 -0.02 0.00 -2.04 0.00 0.00 64.05 63.38 1i48 n THR 320 Cb 0.00 -1.98 -0.01 0.00 -1.82 0.00 0.00 70.33 66.52 1i48 n THR 320 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i48 h ALA 321 N 1.24 -0.78 -0.11 2.41 0.00 -1.18 -0.75 119.26 120.08 1i48 h ALA 321 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1i48 h ALA 321 Cb 0.65 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1i48 h ALA 321 CO -0.60 -0.78 0.00 -0.11 0.00 0.00 0.00 179.25 177.75 1i48 n LEU 322 N -2.55 0.00 -0.37 0.00 7.94 0.54 0.64 117.00 123.19 1i48 n LEU 322 Ca -0.01 0.98 -0.10 0.00 -1.11 0.00 0.00 56.01 55.77 1i48 n LEU 322 Cb 0.04 -0.48 -0.08 0.00 0.53 0.00 0.00 43.42 43.43 1i48 n LEU 322 CO 0.02 -0.48 0.50 0.03 -1.11 0.00 0.00 177.39 176.35 1i48 h ARG 323 N 0.00 -0.06 -0.96 1.96 3.08 -1.43 0.60 114.38 117.57 1i48 h ARG 323 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.17 1i48 h ARG 323 Cb 0.00 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 1i48 h ARG 323 CO 0.00 -0.04 0.59 0.52 -1.07 0.00 0.00 179.97 179.98 1i48 h MET 324 N -0.06 0.92 0.08 0.04 2.86 -0.30 -1.50 114.93 116.96 1i48 h MET 324 Ca 0.18 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1i48 h MET 324 Cb 0.47 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1i48 h MET 324 CO -0.90 0.61 -0.23 0.00 1.06 0.00 0.00 176.91 177.45 1i48 h ALA 325 N 1.52 -0.77 -0.13 6.32 0.00 0.58 0.33 119.26 127.11 1i48 h ALA 325 Ca 0.47 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1i48 h ALA 325 Cb 0.46 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1i48 h ALA 325 CO -0.26 -0.82 -0.50 0.93 0.00 0.00 0.00 179.25 178.59 1i48 h GLU 326 N -0.34 -0.51 -0.98 0.00 5.08 -0.98 0.53 114.58 117.37 1i48 h GLU 326 Ca -0.01 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.72 1i48 h GLU 326 Cb 0.33 0.12 -0.16 0.00 0.50 0.00 0.00 28.75 29.54 1i48 h GLU 326 CO -0.11 -0.34 0.48 0.82 -1.00 0.00 0.00 179.01 178.86 1i48 h ILE 327 N -0.53 0.21 -0.02 3.13 2.04 -1.09 0.32 117.51 121.56 1i48 h ILE 327 Ca 0.03 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1i48 h ILE 327 Cb 0.62 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1i48 h ILE 327 CO -0.41 0.04 -0.02 -0.07 0.00 0.00 0.00 178.15 177.69 1i48 h LEU 328 N 0.21 0.06 -0.76 1.44 3.38 0.26 -2.18 115.31 117.73 1i48 h LEU 328 Ca 0.73 -0.49 0.12 0.00 0.09 0.00 0.00 57.88 58.32 1i48 h LEU 328 Cb 1.69 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.34 1i48 h LEU 328 CO -0.67 0.54 0.37 -0.08 0.09 0.00 0.00 178.44 178.69 1i48 h GLU 329 N -0.42 0.57 0.00 1.13 4.81 0.34 0.16 114.58 121.17 1i48 h GLU 329 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1i48 h GLU 329 Cb 0.53 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1i48 h GLU 329 CO 0.01 0.38 -0.29 0.00 -0.73 0.00 0.00 179.01 178.38 1i48 h ALA 330 N 1.49 1.18 -2.92 2.92 0.00 -0.68 -3.45 119.26 117.79 1i48 h ALA 330 Ca 0.39 -0.26 -0.54 0.00 0.00 0.00 0.00 54.91 54.51 1i48 h ALA 330 Cb 0.49 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.33 1i48 h ALA 330 CO -0.32 0.36 0.78 -1.58 0.00 0.00 0.00 179.25 178.49 1i48 s HIS 331 N -3.93 2.64 0.05 0.00 5.65 0.04 -4.94 115.29 114.81 1i48 s HIS 331 Ca -0.01 1.14 -0.21 0.00 0.25 0.00 0.00 55.06 56.22 1i48 s HIS 331 Cb 0.12 -4.00 -0.13 0.00 -1.18 0.00 0.00 32.58 27.39 1i48 s HIS 331 CO 0.66 -2.98 1.47 -1.00 -0.65 0.00 0.00 174.74 172.24 1i48 h PRO 332 N 3.27 0.24 0.00 2.88 0.13 -1.86 -2.99 132.00 133.67 1i48 h PRO 332 Ca -0.50 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1i48 h PRO 332 Cb 1.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1i48 h PRO 332 CO 0.66 0.48 0.00 1.63 -0.23 0.00 0.00 178.00 180.55 1i48 n LYS 333 N -4.77 0.18 -3.35 0.86 5.02 -1.26 -4.43 118.16 110.41 1i48 n LYS 333 Ca -0.06 0.16 -0.44 0.00 -2.02 0.00 0.00 58.31 55.95 1i48 n LYS 333 Cb 0.22 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 1i48 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i48 s VAL 334 N -2.47 5.17 0.05 -0.18 1.01 -1.13 0.39 120.40 123.24 1i48 s VAL 334 Ca 0.11 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 1i48 s VAL 334 Cb 0.07 -4.16 -0.17 0.00 0.00 0.00 0.00 36.38 32.12 1i48 s VAL 334 CO 0.15 -0.62 1.48 -0.09 0.00 0.00 0.00 175.10 176.02 1i48 h ARG 335 N 8.80 -0.65 -3.90 2.72 2.43 -1.45 -3.46 114.38 118.87 1i48 h ARG 335 Ca -0.28 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.80 1i48 h ARG 335 Cb 1.11 0.15 -0.17 0.00 -0.42 0.00 0.00 29.97 30.63 1i48 h ARG 335 CO 0.90 -0.38 -0.56 -1.58 -1.51 0.00 0.00 179.97 176.84 1i48 s HIS 336 N -5.55 0.26 -0.02 2.20 5.04 -1.12 -4.98 115.29 111.13 1i48 s HIS 336 Ca -0.16 -0.61 0.01 0.00 -1.54 0.00 0.00 55.06 52.76 1i48 s HIS 336 Cb 0.03 -0.19 0.01 0.00 0.04 0.00 0.00 32.58 32.48 1i48 s HIS 336 CO 0.59 -0.36 -0.02 0.08 -2.34 0.00 0.00 174.74 172.69 1i48 s VAL 337 N -2.78 0.21 -0.16 0.89 1.01 -1.26 -0.17 120.40 118.13 1i48 s VAL 337 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1i48 s VAL 337 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1i48 s VAL 337 CO -0.05 0.10 -0.08 -0.31 0.00 0.00 0.00 175.10 174.76 1i48 s TYR 338 N 0.44 2.92 -0.30 5.22 1.51 0.45 -4.88 117.35 122.71 1i48 s TYR 338 Ca -0.04 -0.61 -0.18 0.00 -1.01 0.00 0.00 57.07 55.22 1i48 s TYR 338 Cb -0.07 -1.95 0.19 0.00 -0.11 0.00 0.00 41.96 40.01 1i48 s TYR 338 CO -0.01 -0.25 1.22 -0.47 -1.11 0.00 0.00 175.55 174.93 1i48 s TYR 339 N 0.67 -0.22 0.51 2.71 5.04 -1.26 -2.64 117.35 122.15 1i48 s TYR 339 Ca -0.04 0.37 0.25 0.00 -2.44 0.00 0.00 57.07 55.21 1i48 s TYR 339 Cb -0.15 0.13 1.38 0.00 0.35 0.00 0.00 41.96 43.67 1i48 s TYR 339 CO 0.02 -0.11 1.75 -1.35 -1.34 0.00 0.00 175.55 174.53 1i48 h PRO 340 N 7.22 0.00 -0.04 4.97 0.11 -1.86 0.15 132.00 142.56 1i48 h PRO 340 Ca -0.14 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.84 1i48 h PRO 340 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1i48 h PRO 340 CO 0.05 0.00 -0.61 0.78 -0.21 0.00 0.00 178.00 178.01 1i48 h GLY 341 N 0.00 0.14 -1.78 -0.55 0.00 -1.94 -3.43 103.07 95.51 1i48 h GLY 341 Ca 0.00 -0.18 -0.47 0.00 0.00 0.00 0.00 47.33 46.68 1i48 h GLY 341 CO 0.00 0.16 0.36 1.08 0.00 0.00 0.00 176.54 178.14 1i48 s LEU 342 N -7.78 3.63 0.22 3.11 1.43 0.04 -4.97 118.68 114.36 1i48 s LEU 342 Ca -0.03 1.54 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 1i48 s LEU 342 Cb 0.12 -4.48 0.16 0.00 0.03 0.00 0.00 46.19 42.02 1i48 s LEU 342 CO 0.78 -0.58 1.49 1.56 0.23 0.00 0.00 176.35 179.83 1i48 h GLN 343 N 0.92 0.09 0.00 1.70 4.20 -1.87 -2.94 115.11 117.22 1i48 h GLN 343 Ca -0.47 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.16 1i48 h GLN 343 Cb 1.18 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1i48 h GLN 343 CO 0.62 0.79 0.16 0.66 -0.67 0.00 0.00 178.83 180.39 1i48 h SER 344 N 0.06 0.00 -3.27 1.46 4.64 -1.93 -3.42 113.55 111.10 1i48 h SER 344 Ca -0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.76 1i48 h SER 344 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1i48 h SER 344 CO 0.10 0.00 0.51 -2.28 -0.87 0.00 0.00 176.83 174.29 1i48 s HIS 345 N -3.72 3.49 0.11 4.77 5.04 -1.11 -4.98 115.29 118.89 1i48 s HIS 345 Ca -0.03 1.47 -0.24 0.00 -1.54 0.00 0.00 55.06 54.73 1i48 s HIS 345 Cb 0.07 -3.28 -0.07 0.00 0.04 0.00 0.00 32.58 29.35 1i48 s HIS 345 CO 0.23 -0.68 1.41 -1.35 -2.34 0.00 0.00 174.74 172.01 1i48 h PRO 346 N 6.94 -0.14 -0.94 2.88 0.11 -1.90 -0.50 132.00 138.45 1i48 h PRO 346 Ca -0.39 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.57 1i48 h PRO 346 Cb 1.20 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1i48 h PRO 346 CO 0.80 -0.09 0.20 -0.85 -0.21 0.00 0.00 178.00 177.85 1i48 n GLU 347 N -4.69 1.97 -0.28 1.05 0.00 -1.26 -4.49 120.64 112.94 1i48 n GLU 347 Ca -0.01 -1.39 0.08 0.00 0.00 0.00 0.00 57.16 55.85 1i48 n GLU 347 Cb 0.22 -1.64 0.23 0.00 0.00 0.00 0.00 31.44 30.26 1i48 n GLU 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1i48 h HIS 348 N 0.91 0.60 -0.88 -1.84 2.76 -1.36 0.13 115.15 115.48 1i48 h HIS 348 Ca 0.19 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1i48 h HIS 348 Cb 1.63 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 30.40 1i48 h HIS 348 CO 0.65 0.05 0.51 1.12 -1.30 0.00 0.00 177.93 178.96 1i48 h HIS 349 N 0.47 1.18 -0.39 5.26 2.07 -1.82 -1.35 115.15 120.56 1i48 h HIS 349 Ca 0.47 -0.02 -0.08 0.00 -2.85 0.00 0.00 60.37 57.89 1i48 h HIS 349 Cb 0.77 -0.38 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 1i48 h HIS 349 CO -0.15 0.80 -0.07 0.82 -3.07 0.00 0.00 177.93 176.26 1i48 h ILE 350 N 1.22 1.27 -0.61 6.12 2.04 -1.29 -1.47 117.51 124.79 1i48 h ILE 350 Ca 0.31 -1.14 0.10 0.00 1.00 0.00 0.00 64.86 65.13 1i48 h ILE 350 Cb -0.01 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 1i48 h ILE 350 CO -0.05 0.38 0.21 0.00 0.00 0.00 0.00 178.15 178.69 1i48 h ALA 351 N 0.85 0.79 -0.51 1.87 0.00 -0.36 -0.84 119.26 121.06 1i48 h ALA 351 Ca 0.10 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1i48 h ALA 351 Cb 0.58 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1i48 h ALA 351 CO 0.03 -0.21 0.05 0.87 0.00 0.00 0.00 179.25 179.99 1i48 h LYS 352 N 0.38 0.87 -0.23 0.00 1.57 -1.05 0.27 116.57 118.38 1i48 h LYS 352 Ca 0.31 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1i48 h LYS 352 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1i48 h LYS 352 CO -0.33 0.88 -0.19 1.57 -0.57 0.00 0.00 179.45 180.82 1i48 h LYS 353 N 0.74 0.40 0.00 3.15 2.10 -0.26 -3.34 116.57 119.36 1i48 h LYS 353 Ca 0.15 -0.12 -0.06 0.00 -2.00 0.00 0.00 60.65 58.62 1i48 h LYS 353 Cb 0.46 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1i48 h LYS 353 CO 0.02 0.58 -1.47 0.00 -2.00 0.00 0.00 179.45 176.57 1i48 n GLN 354 N -4.18 1.14 -3.98 0.07 10.64 -0.42 -5.03 117.38 115.62 1i48 n GLN 354 Ca -0.00 -0.05 -0.24 0.00 -1.83 0.00 0.00 57.00 54.87 1i48 n GLN 354 Cb 0.35 -1.22 -0.03 0.00 -0.86 0.00 0.00 30.24 28.48 1i48 n GLN 354 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1i48 s MET 355 N -2.47 3.36 0.00 2.61 -1.94 0.94 -4.68 119.30 117.11 1i48 s MET 355 Ca -0.04 -0.70 0.05 0.00 -1.71 0.00 0.00 55.69 53.30 1i48 s MET 355 Cb 0.05 -2.89 -0.00 0.00 2.01 0.00 0.00 34.83 33.99 1i48 s MET 355 CO 0.36 0.49 0.44 0.25 -0.01 0.00 0.00 175.02 176.55 1i48 n THR 356 N -0.80 0.00 -3.98 2.05 -2.24 -0.73 -4.60 114.28 103.97 1i48 n THR 356 Ca -0.08 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 1i48 n THR 356 Cb 0.55 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 1i48 n THR 356 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i48 n GLY 357 N 0.67 2.29 0.93 3.38 0.00 -1.26 -5.03 105.19 106.17 1i48 n GLY 357 Ca 0.02 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.48 1i48 n GLY 357 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i48 n PHE 358 N -0.48 0.00 -2.06 1.61 3.72 -1.26 -4.98 117.46 114.00 1i48 n PHE 358 Ca 0.01 -0.32 0.05 0.00 -0.05 0.00 0.00 57.45 57.15 1i48 n PHE 358 Cb 0.49 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 38.91 1i48 n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i48 n GLY 359 N 0.12 -1.91 0.07 1.37 0.00 -1.26 -4.56 105.19 99.01 1i48 n GLY 359 Ca 0.04 -1.32 0.08 0.00 0.00 0.00 0.00 46.02 44.82 1i48 n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i48 n GLY 360 N -1.53 4.42 3.67 -0.02 0.00 -1.26 -3.88 105.19 106.58 1i48 n GLY 360 Ca 0.00 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1i48 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i48 s ALA 361 N -2.47 3.36 -0.03 4.61 0.00 -1.26 -1.06 121.76 124.90 1i48 s ALA 361 Ca 0.26 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1i48 s ALA 361 Cb 0.22 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.69 1i48 s ALA 361 CO 0.02 0.42 0.05 0.08 0.00 0.00 0.00 175.76 176.32 1i48 s VAL 362 N -0.34 -0.08 0.03 0.00 1.01 -0.58 -4.91 120.40 115.52 1i48 s VAL 362 Ca 0.08 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1i48 s VAL 362 Cb -0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1i48 s VAL 362 CO 0.02 0.12 -0.01 -0.44 0.00 0.00 0.00 175.10 174.78 1i48 s SER 363 N 1.45 4.98 -0.14 3.32 0.01 -1.08 -0.80 113.70 121.44 1i48 s SER 363 Ca -0.04 -0.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 1i48 s SER 363 Cb -0.13 -1.23 0.09 0.00 0.21 0.00 0.00 66.02 64.96 1i48 s SER 363 CO -0.03 0.25 0.81 0.72 0.41 0.00 0.00 173.24 175.40 1i48 s PHE 364 N -1.14 -0.58 -0.10 2.43 -0.71 -0.39 0.17 117.98 117.66 1i48 s PHE 364 Ca 0.21 1.12 -0.12 0.00 -1.04 0.00 0.00 56.93 57.10 1i48 s PHE 364 Cb -0.11 0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 42.04 1i48 s PHE 364 CO 0.12 -0.46 0.29 -1.21 -1.34 0.00 0.00 175.22 172.63 1i48 s GLU 365 N -0.75 3.94 0.11 1.99 2.02 0.75 -0.98 118.70 125.78 1i48 s GLU 365 Ca -0.05 0.14 -0.13 0.00 0.02 0.00 0.00 54.97 54.95 1i48 s GLU 365 Cb -0.01 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.85 1i48 s GLU 365 CO 0.04 0.52 0.49 0.08 0.02 0.00 0.00 175.26 176.41 1i48 s VAL 366 N -0.42 4.95 -1.07 2.63 1.01 -1.20 -1.41 120.40 124.89 1i48 s VAL 366 Ca 0.18 0.70 -0.19 0.00 0.00 0.00 0.00 61.98 62.67 1i48 s VAL 366 Cb -0.14 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 1i48 s VAL 366 CO 0.07 0.29 2.00 -0.67 0.00 0.00 0.00 175.10 176.79 1i48 n ASP 367 N 0.93 3.20 -0.46 3.32 2.03 0.16 -4.65 116.55 121.08 1i48 n ASP 367 Ca -0.07 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1i48 n ASP 367 Cb 0.52 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1i48 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i48 n GLY 368 N 4.62 1.83 3.80 0.27 0.00 -1.26 -5.00 105.19 109.45 1i48 n GLY 368 Ca 0.50 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 1i48 n GLY 368 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i48 s ASP 369 N 0.62 4.55 0.04 1.61 -4.77 -1.26 -4.81 116.67 112.66 1i48 s ASP 369 Ca 0.00 -1.11 -0.08 0.00 -3.30 0.00 0.00 52.55 48.06 1i48 s ASP 369 Cb 0.00 -0.21 -0.02 0.00 -1.09 0.00 0.00 42.92 41.60 1i48 s ASP 369 CO 0.00 -0.71 0.86 -0.11 0.70 0.00 0.00 175.17 175.91 1i48 n LEU 370 N -1.41 -0.28 -0.19 2.11 -0.00 -1.26 -0.08 117.00 115.88 1i48 n LEU 370 Ca -0.02 0.93 -0.00 0.00 -0.00 0.00 0.00 56.01 56.92 1i48 n LEU 370 Cb 0.64 -0.29 0.10 0.00 -0.00 0.00 0.00 43.42 43.87 1i48 n LEU 370 CO 0.43 -0.62 0.96 -0.07 -0.00 0.00 0.00 177.39 178.10 1i48 h LEU 371 N 0.00 0.15 0.35 -1.96 -0.00 -1.96 -1.55 115.31 110.34 1i48 h LEU 371 Ca 0.04 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 1i48 h LEU 371 Cb 0.11 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1i48 h LEU 371 CO -0.25 0.10 -0.24 0.74 -0.00 0.00 0.00 178.44 178.78 1i48 h THR 372 N 0.35 0.49 -0.64 0.22 2.02 -1.10 -1.12 112.91 113.14 1i48 h THR 372 Ca 0.29 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.61 1i48 h THR 372 Cb 0.38 0.49 -0.11 0.00 -1.74 0.00 0.00 68.15 67.17 1i48 h THR 372 CO -0.32 0.00 -0.03 0.74 0.37 0.00 0.00 175.52 176.28 1i48 h THR 373 N -0.58 0.45 -0.28 3.16 2.02 -0.07 0.15 112.91 117.75 1i48 h THR 373 Ca -0.03 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1i48 h THR 373 Cb 0.49 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1i48 h THR 373 CO 0.02 0.02 -0.07 0.00 0.37 0.00 0.00 175.52 175.86 1i48 h ALA 374 N 1.59 0.19 -1.04 6.16 0.00 -0.91 0.45 119.26 125.70 1i48 h ALA 374 Ca 0.33 0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.62 1i48 h ALA 374 Cb 0.54 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1i48 h ALA 374 CO -0.57 -0.46 0.66 -0.22 0.00 0.00 0.00 179.25 178.66 1i48 h LYS 375 N 0.00 0.42 0.38 0.00 3.64 0.54 0.15 116.57 121.70 1i48 h LYS 375 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1i48 h LYS 375 Cb 0.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1i48 h LYS 375 CO -0.29 0.28 -0.18 0.35 -2.27 0.00 0.00 179.45 177.33 1i48 h PHE 376 N 0.43 -0.48 -0.98 1.91 3.57 -0.06 -1.90 116.94 119.43 1i48 h PHE 376 Ca 0.61 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.31 1i48 h PHE 376 Cb 1.47 0.16 -0.09 0.00 2.79 0.00 0.00 35.95 40.27 1i48 h PHE 376 CO -0.00 -0.30 0.62 -0.39 -2.23 0.00 0.00 178.31 176.01 1i48 h VAL 377 N -0.56 0.67 0.00 1.41 -1.51 -0.93 0.59 116.25 115.92 1i48 h VAL 377 Ca -0.05 -0.20 -0.02 0.00 -1.23 0.00 0.00 66.70 65.19 1i48 h VAL 377 Cb 0.39 0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 29.57 1i48 h VAL 377 CO 0.09 0.11 -0.11 0.44 -1.23 0.00 0.00 177.57 176.86 1i48 h ASP 378 N 0.59 0.00 0.13 4.19 5.19 -0.63 -2.52 116.42 123.37 1i48 h ASP 378 Ca 0.55 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.72 1i48 h ASP 378 Cb 1.09 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.61 1i48 h ASP 378 CO -0.30 0.11 -0.93 0.00 -3.12 0.00 0.00 179.24 175.00 1i48 h ALA 379 N 1.89 0.30 -2.50 3.45 0.00 0.10 -3.46 119.26 119.04 1i48 h ALA 379 Ca -0.00 -0.68 -0.58 0.00 0.00 0.00 0.00 54.91 53.65 1i48 h ALA 379 Cb 0.27 0.01 0.17 0.00 0.00 0.00 0.00 17.79 18.24 1i48 h ALA 379 CO 0.01 0.74 -0.39 1.28 0.00 0.00 0.00 179.25 180.90 1i48 n LEU 380 N -3.83 0.78 0.00 0.00 4.77 -0.95 -4.82 117.00 112.95 1i48 n LEU 380 Ca -0.08 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1i48 n LEU 380 Cb 0.82 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1i48 n LEU 380 CO 0.53 -3.04 -0.11 0.29 -1.33 0.00 0.00 177.39 173.72 1i48 n LYS 381 N -0.05 4.36 -0.11 3.23 5.02 -1.26 -4.90 118.16 124.45 1i48 n LYS 381 Ca 0.12 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.23 1i48 n LYS 381 Cb 0.47 -0.54 -0.06 0.00 -0.02 0.00 0.00 35.03 34.88 1i48 n LYS 381 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i48 n ILE 382 N -0.91 1.51 -2.20 -0.18 5.41 -1.26 -4.99 119.36 116.74 1i48 n ILE 382 Ca 0.00 -0.06 -0.35 0.00 1.00 0.00 0.00 62.75 63.34 1i48 n ILE 382 Cb 0.00 -2.17 0.01 0.00 -0.71 0.00 0.00 39.64 36.77 1i48 n ILE 382 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1i48 s PRO 383 N -2.72 3.26 0.11 0.38 0.04 -1.26 -4.73 135.00 130.09 1i48 s PRO 383 Ca -0.32 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 1i48 s PRO 383 Cb 0.08 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 1i48 s PRO 383 CO 0.45 -0.93 0.56 0.71 0.04 0.00 0.00 177.00 177.82 1i48 s TYR 384 N -1.75 3.69 -0.56 0.56 2.02 0.21 -4.77 117.35 116.75 1i48 s TYR 384 Ca 0.74 1.15 -0.24 0.00 -0.37 0.00 0.00 57.07 58.35 1i48 s TYR 384 Cb -0.25 -2.42 0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1i48 s TYR 384 CO 0.29 0.50 0.93 0.42 -1.57 0.00 0.00 175.55 176.12 1i48 s ILE 385 N -1.31 4.40 -0.04 2.71 1.01 -1.26 -1.12 121.20 125.58 1i48 s ILE 385 Ca 0.34 0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.87 1i48 s ILE 385 Cb -0.17 -4.55 0.12 0.00 0.01 0.00 0.00 42.46 37.87 1i48 s ILE 385 CO 0.19 -1.14 1.20 0.00 0.00 0.00 0.00 174.94 175.19 1i48 s ALA 386 N 3.92 -2.09 1.00 9.38 0.00 -0.89 -4.97 121.76 128.11 1i48 s ALA 386 Ca 0.29 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1i48 s ALA 386 Cb -0.13 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1i48 s ALA 386 CO 0.18 -0.91 0.00 -2.30 0.00 0.00 0.00 175.76 172.73 1i48 n PRO 387 N -0.37 2.02 -1.10 0.00 -0.02 -1.26 -4.47 135.00 129.80 1i48 n PRO 387 Ca -0.06 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.54 1i48 n PRO 387 Cb 0.61 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.05 1i48 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i48 n SER 388 N 0.00 -5.68 -3.64 2.55 2.88 -1.26 -4.95 113.62 103.53 1i48 n SER 388 Ca 0.00 0.64 0.01 0.00 -1.33 0.00 0.00 58.87 58.19 1i48 n SER 388 Cb 0.00 -3.53 -0.00 0.00 -0.75 0.00 0.00 64.21 59.93 1i48 n SER 388 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1i48 s PHE 389 N -3.01 -0.04 0.00 0.66 -0.12 -1.26 -4.94 117.98 109.27 1i48 s PHE 389 Ca 0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.80 1i48 s PHE 389 Cb 0.00 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1i48 s PHE 389 CO 0.00 -0.32 0.00 0.41 -0.05 0.00 0.00 175.22 175.26 1i48 n GLY 390 N -0.52 0.63 3.89 1.99 0.00 -1.26 -4.18 105.19 105.74 1i48 n GLY 390 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1i48 n GLY 390 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i48 s GLY 391 N -1.67 1.57 0.46 -0.02 0.00 -1.25 -4.28 107.32 102.14 1i48 s GLY 391 Ca 0.00 -0.33 0.23 0.00 0.00 0.00 0.00 44.72 44.62 1i48 s GLY 391 CO 0.00 -0.12 1.88 0.00 0.00 0.00 0.00 173.10 174.86 1i48 s GLU 393 N -5.25 4.74 0.44 0.00 8.01 -1.26 0.73 118.70 126.10 1i48 s GLU 393 Ca -0.07 1.36 -0.22 0.00 0.01 0.00 0.00 54.97 56.05 1i48 s GLU 393 Cb 0.22 -3.28 -0.09 0.00 -4.31 0.00 0.00 34.13 26.67 1i48 s GLU 393 CO 0.78 0.53 1.01 -1.12 0.01 0.00 0.00 175.26 176.46 1i48 s SER 394 N -1.12 6.69 0.02 -0.19 0.01 -1.26 -4.31 113.70 113.54 1i48 s SER 394 Ca 0.39 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1i48 s SER 394 Cb -0.25 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 1i48 s SER 394 CO 0.30 -0.53 -0.03 -0.63 0.41 0.00 0.00 173.24 172.76 1i48 s ILE 395 N -1.94 0.11 0.09 1.44 1.01 -0.32 -0.62 121.20 120.97 1i48 s ILE 395 Ca 0.62 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1i48 s ILE 395 Cb -0.15 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1i48 s ILE 395 CO 0.20 -0.43 -0.03 0.68 0.00 0.00 0.00 174.94 175.36 1i48 s VAL 396 N -1.27 0.43 -0.04 2.92 -7.23 -0.28 0.05 120.40 114.98 1i48 s VAL 396 Ca -0.14 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 1i48 s VAL 396 Cb -0.09 -1.70 0.11 0.00 0.56 0.00 0.00 36.38 35.26 1i48 s VAL 396 CO -0.01 -0.84 0.97 1.51 -0.31 0.00 0.00 175.10 176.42 1i48 s ASP 397 N -3.01 -0.30 -0.74 4.85 -4.77 -0.97 -2.10 116.67 109.64 1i48 s ASP 397 Ca 0.12 -0.01 0.01 0.00 -3.30 0.00 0.00 52.55 49.37 1i48 s ASP 397 Cb 0.07 0.33 0.18 0.00 -1.09 0.00 0.00 42.92 42.41 1i48 s ASP 397 CO -0.05 -0.54 0.56 -1.58 0.70 0.00 0.00 175.17 174.26 1i48 s GLN 398 N -2.96 2.72 0.10 2.11 0.74 -1.26 -2.07 119.66 119.04 1i48 s GLN 398 Ca 0.06 -3.08 -0.05 0.00 0.05 0.00 0.00 55.36 52.35 1i48 s GLN 398 Cb -0.01 -3.67 0.15 0.00 1.10 0.00 0.00 33.01 30.58 1i48 s GLN 398 CO -0.08 -1.24 0.61 -2.30 -0.55 0.00 0.00 175.29 171.74 1i48 n PRO 399 N 2.53 -0.06 -0.33 1.67 -0.02 -1.26 0.20 135.00 137.73 1i48 n PRO 399 Ca 0.16 0.61 0.26 0.00 -2.02 0.00 0.00 63.50 62.52 1i48 n PRO 399 Cb 0.36 -0.91 0.51 0.00 -0.02 0.00 0.00 33.50 33.43 1i48 n PRO 399 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i48 h ALA 400 N 0.69 1.99 0.00 3.55 0.00 -1.86 -1.05 119.26 122.59 1i48 h ALA 400 Ca 0.17 0.22 -0.28 0.00 0.00 0.00 0.00 54.91 55.02 1i48 h ALA 400 Cb 0.27 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1i48 h ALA 400 CO -0.40 -0.71 -1.92 -0.89 0.00 0.00 0.00 179.25 175.33 1i48 n ILE 401 N -5.14 1.48 -0.33 0.00 5.41 0.52 -0.38 119.36 120.93 1i48 n ILE 401 Ca 0.33 -0.18 0.26 0.00 1.00 0.00 0.00 62.75 64.17 1i48 n ILE 401 Cb 1.08 -2.04 0.50 0.00 -0.71 0.00 0.00 39.64 38.47 1i48 n ILE 401 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1i48 h MET 402 N -0.97 0.08 0.00 0.38 4.05 -0.29 -3.17 114.93 115.01 1i48 h MET 402 Ca -0.42 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.95 1i48 h MET 402 Cb 1.36 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 32.08 1i48 h MET 402 CO -0.26 0.05 -0.28 -1.13 0.23 0.00 0.00 176.91 175.53 1i48 n SER 403 N -5.25 -0.07 0.00 1.39 3.41 -0.46 -4.89 113.62 107.75 1i48 n SER 403 Ca 0.33 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1i48 n SER 403 Cb 1.10 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 1i48 n SER 403 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1i48 n TYR 404 N 0.05 0.00 0.31 7.33 4.02 -0.83 -4.81 117.16 123.23 1i48 n TYR 404 Ca -0.04 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.04 1i48 n TYR 404 Cb 0.65 0.01 1.05 0.00 -0.02 0.00 0.00 39.34 41.02 1i48 n TYR 404 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 1i48 h TRP 405 N 0.00 0.00 0.00 -0.72 -0.00 -0.69 0.13 115.95 114.67 1i48 h TRP 405 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1i48 h TRP 405 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.75 1i48 h TRP 405 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 178.44 178.04 1i48 n ASP 406 N -3.42 0.56 -4.99 2.65 5.75 -1.26 -4.77 116.55 111.06 1i48 n ASP 406 Ca -0.02 0.64 -0.18 0.00 -0.01 0.00 0.00 54.79 55.22 1i48 n ASP 406 Cb 0.12 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1i48 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i48 s LEU 407 N -4.24 3.65 0.30 -2.12 1.43 0.46 -5.11 118.68 113.05 1i48 s LEU 407 Ca 0.05 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1i48 s LEU 407 Cb 0.09 -2.60 -0.09 0.00 0.03 0.00 0.00 46.19 43.63 1i48 s LEU 407 CO 0.37 -0.73 0.74 -0.94 0.23 0.00 0.00 176.35 176.02 1i48 s SER 408 N -4.32 6.86 0.46 2.29 1.04 -1.26 -4.86 113.70 113.92 1i48 s SER 408 Ca 0.54 1.34 0.32 0.00 0.48 0.00 0.00 55.95 58.63 1i48 s SER 408 Cb -0.09 -2.39 1.44 0.00 0.10 0.00 0.00 66.02 65.08 1i48 s SER 408 CO 0.32 -0.15 1.66 -0.61 0.98 0.00 0.00 173.24 175.44 1i48 h GLN 409 N 2.56 0.10 0.12 4.02 5.75 -1.96 0.38 115.11 126.08 1i48 h GLN 409 Ca -0.48 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.01 1i48 h GLN 409 Cb 1.18 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1i48 h GLN 409 CO 0.65 0.07 -0.06 0.77 -2.65 0.00 0.00 178.83 177.61 1i48 h SER 410 N 0.10 -0.13 -0.90 -0.69 0.02 -1.99 -3.20 113.55 106.76 1i48 h SER 410 Ca 0.78 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 61.99 1i48 h SER 410 Cb 2.58 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 65.12 1i48 h SER 410 CO -0.29 0.00 0.67 0.44 -1.14 0.00 0.00 176.83 176.51 1i48 h ASP 411 N -0.35 0.00 -0.05 3.07 3.32 -1.58 0.53 116.42 121.36 1i48 h ASP 411 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1i48 h ASP 411 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1i48 h ASP 411 CO 0.03 0.00 0.03 0.03 -1.72 0.00 0.00 179.24 177.61 1i48 h ARG 412 N 0.00 0.07 0.00 3.56 3.08 -0.37 -1.64 114.38 119.07 1i48 h ARG 412 Ca 0.43 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.47 1i48 h ARG 412 Cb 1.76 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.80 1i48 h ARG 412 CO -0.00 0.04 -0.00 0.00 -1.07 0.00 0.00 179.97 178.93 1i48 h ALA 413 N 1.02 1.05 -0.04 0.04 0.00 -0.88 -2.04 119.26 118.40 1i48 h ALA 413 Ca 0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1i48 h ALA 413 Cb -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i48 h ALA 413 CO -0.00 0.01 0.20 -0.22 0.00 0.00 0.00 179.25 179.23 1i48 h LYS 414 N 0.00 0.00 -0.03 0.00 3.64 -1.15 0.47 116.57 119.50 1i48 h LYS 414 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i48 h LYS 414 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1i48 h LYS 414 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1i48 n TYR 415 N -3.12 0.04 -0.32 1.91 4.01 -0.78 -4.97 117.16 113.92 1i48 n TYR 415 Ca -0.02 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1i48 n TYR 415 Cb 0.27 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1i48 n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i48 n GLY 416 N 0.08 1.04 3.55 2.72 0.00 0.15 -4.99 105.19 107.74 1i48 n GLY 416 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1i48 n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i48 s ILE 417 N -2.84 3.29 0.13 -0.61 -1.09 -1.13 -4.93 121.20 114.03 1i48 s ILE 417 Ca 0.00 0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.57 1i48 s ILE 417 Cb 0.00 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1i48 s ILE 417 CO 0.00 -0.72 0.33 -0.04 -1.23 0.00 0.00 174.94 173.28 1i48 s MET 418 N 7.23 3.55 0.00 2.79 -1.94 -1.26 -3.94 119.30 125.73 1i48 s MET 418 Ca 0.73 -0.23 0.07 0.00 -1.71 0.00 0.00 55.69 54.56 1i48 s MET 418 Cb -0.14 -2.90 0.37 0.00 2.01 0.00 0.00 34.83 34.17 1i48 s MET 418 CO 0.22 0.49 1.05 -0.25 -0.01 0.00 0.00 175.02 176.52 1i48 n ASP 419 N 0.01 0.00 -0.08 3.03 8.00 -1.26 -1.56 116.55 124.69 1i48 n ASP 419 Ca -0.03 0.12 -0.17 0.00 0.71 0.00 0.00 54.79 55.42 1i48 n ASP 419 Cb 0.52 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.26 1i48 n ASP 419 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1i48 h ASN 420 N 0.00 0.00 -1.60 -2.24 -0.00 -1.90 -3.36 115.58 106.48 1i48 h ASN 420 Ca 0.00 -0.80 -0.66 0.00 -0.00 0.00 0.00 56.30 54.84 1i48 h ASN 420 Cb 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 38.32 38.47 1i48 h ASN 420 CO 0.00 1.17 -0.14 -0.11 -0.00 0.00 0.00 177.43 178.34 1i48 n LEU 421 N -4.55 0.24 -3.74 0.34 7.94 -0.60 -3.23 117.00 113.39 1i48 n LEU 421 Ca -0.18 1.15 -0.16 0.00 -1.11 0.00 0.00 56.01 55.71 1i48 n LEU 421 Cb 0.54 -1.09 -0.16 0.00 0.53 0.00 0.00 43.42 43.24 1i48 n LEU 421 CO 0.28 -2.13 -0.33 -0.69 -1.11 0.00 0.00 177.39 173.41 1i48 s VAL 422 N -0.79 -0.08 -0.15 1.96 1.01 -0.15 -4.42 120.40 117.79 1i48 s VAL 422 Ca 0.66 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 1i48 s VAL 422 Cb -0.88 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1i48 s VAL 422 CO 0.57 0.11 0.14 -0.13 0.00 0.00 0.00 175.10 175.79 1i48 s ARG 423 N 1.41 3.72 -0.23 2.72 0.52 -0.88 -1.27 118.95 124.94 1i48 s ARG 423 Ca -0.05 -0.15 -0.02 0.00 -0.52 0.00 0.00 55.73 54.99 1i48 s ARG 423 Cb -0.13 -3.27 0.07 0.00 0.52 0.00 0.00 34.95 32.14 1i48 s ARG 423 CO -0.03 0.61 0.04 0.12 0.02 0.00 0.00 175.30 176.05 1i48 s PHE 424 N -0.53 1.42 -0.65 -0.53 2.19 0.02 -2.29 117.98 117.61 1i48 s PHE 424 Ca 0.13 -1.23 -0.21 0.00 0.33 0.00 0.00 56.93 55.95 1i48 s PHE 424 Cb -0.12 -1.29 0.09 0.00 -1.31 0.00 0.00 43.02 40.39 1i48 s PHE 424 CO 0.02 -0.71 0.87 0.45 1.83 0.00 0.00 175.22 177.68 1i48 s SER 425 N 1.72 6.22 0.07 6.13 0.15 0.11 -1.53 113.70 126.57 1i48 s SER 425 Ca 0.01 -1.28 -0.31 0.00 0.70 0.00 0.00 55.95 55.08 1i48 s SER 425 Cb -0.17 -2.37 -0.09 0.00 -1.71 0.00 0.00 66.02 61.68 1i48 s SER 425 CO -0.12 -1.27 1.75 -0.36 1.20 0.00 0.00 173.24 174.44 1i48 s PHE 426 N 3.34 2.12 0.00 3.44 0.08 -0.23 -1.18 117.98 125.56 1i48 s PHE 426 Ca 0.18 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1i48 s PHE 426 Cb -0.19 -4.07 0.00 0.00 -0.57 0.00 0.00 43.02 38.19 1i48 s PHE 426 CO 0.07 -4.43 0.00 0.41 -0.10 0.00 0.00 175.22 171.17 1i48 n GLY 427 N 4.16 -0.89 0.53 4.36 0.00 -1.26 -4.84 105.19 107.25 1i48 n GLY 427 Ca 0.17 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.89 1i48 n GLY 427 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i48 n VAL 428 N -0.10 0.81 -0.42 1.61 3.14 0.22 -4.68 118.33 118.91 1i48 n VAL 428 Ca 0.00 -0.90 -0.29 0.00 -2.96 0.00 0.00 64.34 60.19 1i48 n VAL 428 Cb 0.00 0.64 0.27 0.00 -1.06 0.00 0.00 33.84 33.68 1i48 n VAL 428 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1i48 n GLU 429 N 0.43 -3.12 -2.30 1.45 4.71 -1.26 -4.90 120.64 115.65 1i48 n GLU 429 Ca 0.09 -0.89 -0.41 0.00 -0.01 0.00 0.00 57.16 55.93 1i48 n GLU 429 Cb 0.38 -2.07 -0.03 0.00 -1.01 0.00 0.00 31.44 28.70 1i48 n GLU 429 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1i48 s ASP 430 N -2.49 6.99 0.07 1.62 2.15 -1.26 -4.92 116.67 118.83 1i48 s ASP 430 Ca 0.68 2.26 -0.17 0.00 0.43 0.00 0.00 52.55 55.75 1i48 s ASP 430 Cb -0.22 -2.60 -0.05 0.00 -0.30 0.00 0.00 42.92 39.75 1i48 s ASP 430 CO 0.64 -0.48 1.28 0.15 -0.17 0.00 0.00 175.17 176.59 1i48 h PHE 431 N 5.79 -0.91 -0.76 -5.34 3.04 -1.98 -1.26 116.94 115.52 1i48 h PHE 431 Ca -0.44 0.05 0.16 0.00 3.98 0.00 0.00 57.97 61.73 1i48 h PHE 431 Cb 1.21 0.44 -0.14 0.00 2.56 0.00 0.00 35.95 40.02 1i48 h PHE 431 CO 0.64 -0.23 -0.11 -0.44 -2.02 0.00 0.00 178.31 176.14 1i48 h ASP 432 N -0.14 -0.57 -0.86 0.41 3.32 -1.98 0.47 116.42 117.06 1i48 h ASP 432 Ca 0.05 0.22 0.08 0.00 0.02 0.00 0.00 57.03 57.39 1i48 h ASP 432 Cb 0.28 0.42 -0.07 0.00 0.22 0.00 0.00 39.33 40.18 1i48 h ASP 432 CO -0.36 -0.23 0.53 0.44 -1.72 0.00 0.00 179.24 177.90 1i48 h ASP 433 N 0.03 0.80 0.26 6.45 3.32 -1.71 0.12 116.42 125.70 1i48 h ASP 433 Ca 0.39 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 1i48 h ASP 433 Cb 0.63 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1i48 h ASP 433 CO -0.74 0.49 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.08 1i48 h LEU 434 N 0.93 -0.30 -0.22 1.55 3.38 0.64 -2.85 115.31 118.43 1i48 h LEU 434 Ca 0.39 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1i48 h LEU 434 Cb 0.25 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1i48 h LEU 434 CO -0.20 0.17 -0.35 0.50 0.09 0.00 0.00 178.44 178.65 1i48 h LYS 435 N -0.89 -0.36 -0.80 1.13 3.64 -0.09 0.15 116.57 119.36 1i48 h LYS 435 Ca -0.04 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.55 1i48 h LYS 435 Cb 0.51 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.29 1i48 h LYS 435 CO 0.06 -0.24 0.25 0.00 -2.27 0.00 0.00 179.45 177.25 1i48 h ALA 436 N 0.45 1.12 0.54 5.00 0.00 -0.87 0.28 119.26 125.80 1i48 h ALA 436 Ca 0.11 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1i48 h ALA 436 Cb 0.56 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1i48 h ALA 436 CO -0.42 -0.34 -0.26 0.22 0.00 0.00 0.00 179.25 178.45 1i48 h ASP 437 N 0.31 -0.61 -0.14 0.00 3.58 -0.83 -0.90 116.42 117.83 1i48 h ASP 437 Ca 0.47 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.95 1i48 h ASP 437 Cb 0.84 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.99 1i48 h ASP 437 CO -0.53 -0.37 -0.21 0.40 -2.88 0.00 0.00 179.24 175.65 1i48 h ILE 438 N -0.82 0.48 0.24 2.25 2.04 -0.25 0.23 117.51 121.68 1i48 h ILE 438 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1i48 h ILE 438 Cb 0.59 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1i48 h ILE 438 CO 0.12 0.00 -0.34 -0.07 0.00 0.00 0.00 178.15 177.86 1i48 h LEU 439 N -0.26 -0.94 -0.80 1.44 3.38 -0.96 -1.29 115.31 115.87 1i48 h LEU 439 Ca 0.10 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.28 1i48 h LEU 439 Cb 0.41 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 1i48 h LEU 439 CO -0.29 -0.45 0.42 -0.61 0.09 0.00 0.00 178.44 177.60 1i48 h GLN 440 N -0.64 0.63 0.00 1.13 -0.00 -0.94 0.51 115.11 115.80 1i48 h GLN 440 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1i48 h GLN 440 Cb 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.95 1i48 h GLN 440 CO -0.12 0.42 0.00 0.00 0.00 0.00 0.00 178.83 179.13 1i48 n ALA 441 N -2.41 1.95 0.73 3.38 0.00 0.79 -1.86 120.51 123.09 1i48 n ALA 441 Ca 0.14 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1i48 n ALA 441 Cb 0.35 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.59 1i48 n ALA 441 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i48 n LEU 442 N -1.12 2.00 -1.27 0.00 4.77 0.18 -4.27 117.00 117.28 1i48 n LEU 442 Ca 0.09 -0.87 0.10 0.00 -0.03 0.00 0.00 56.01 55.31 1i48 n LEU 442 Cb 0.08 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.47 1i48 n LEU 442 CO 0.09 0.37 0.76 0.47 -1.33 0.00 0.00 177.39 177.75 1i48 n ASP 443 N 0.36 3.95 -0.68 -1.43 8.00 -0.78 -4.13 116.55 121.85 1i48 n ASP 443 Ca 0.08 -2.11 0.13 0.00 0.71 0.00 0.00 54.79 53.60 1i48 n ASP 443 Cb 0.39 -0.47 0.36 0.00 -0.02 0.00 0.00 41.12 41.38 1i48 n ASP 443 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i48 n SER 444 N 1.32 2.10 0.00 -2.24 3.41 -1.26 -5.13 113.62 111.82 1i48 n SER 444 Ca 0.23 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1i48 n SER 444 Cb 0.65 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1i48 n SER 444 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18