#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i41 s ALA 51 N 0.00 4.08 -0.06 2.98 0.00 -1.26 -5.06 121.76 122.44 1i41 s ALA 51 Ca 0.00 -1.77 0.09 0.00 0.00 0.00 0.00 51.96 50.28 1i41 s ALA 51 Cb 0.00 -0.82 -0.24 0.00 0.00 0.00 0.00 23.12 22.06 1i41 s ALA 51 CO 0.00 -0.29 0.58 -1.13 0.00 0.00 0.00 175.76 174.92 1i41 n SER 52 N -1.56 1.08 0.27 0.00 3.41 -1.26 -4.17 113.62 111.39 1i41 n SER 52 Ca 0.02 0.36 0.16 0.00 -0.26 0.00 0.00 58.87 59.15 1i41 n SER 52 Cb 0.63 -0.18 0.59 0.00 -0.26 0.00 0.00 64.21 64.99 1i41 n SER 52 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1i41 h PHE 53 N 0.01 0.00 -3.76 7.33 -5.15 -2.06 -3.41 116.94 109.90 1i41 h PHE 53 Ca -0.32 0.00 -0.63 0.00 -0.20 0.00 0.00 57.97 56.81 1i41 h PHE 53 Cb 2.03 0.00 -0.17 0.00 0.22 0.00 0.00 35.95 38.03 1i41 h PHE 53 CO 0.01 0.01 -0.53 -0.51 -2.00 0.00 0.00 178.31 175.30 1i41 s LEU 54 N -6.21 3.99 0.00 2.10 1.43 -1.26 -4.92 118.68 113.81 1i41 s LEU 54 Ca 0.02 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1i41 s LEU 54 Cb 0.08 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1i41 s LEU 54 CO 0.57 -0.01 0.00 0.59 0.23 0.00 0.00 176.35 177.73 1i41 n ASN 55 N 4.77 4.32 -4.82 2.29 3.02 -1.26 -4.78 115.26 118.80 1i41 n ASN 55 Ca -0.15 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.03 1i41 n ASN 55 Cb 0.52 0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 40.36 1i41 n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i41 s SER 56 N -2.04 6.66 0.26 6.41 0.15 -1.26 -4.99 113.70 118.89 1i41 s SER 56 Ca 0.00 0.79 -0.04 0.00 0.70 0.00 0.00 55.95 57.40 1i41 s SER 56 Cb 0.00 -2.21 0.52 0.00 -1.71 0.00 0.00 66.02 62.62 1i41 s SER 56 CO 0.00 0.28 1.66 0.44 1.20 0.00 0.00 173.24 176.82 1i41 h ASP 57 N 5.25 -0.08 -0.49 5.45 3.32 -1.99 -0.08 116.42 127.80 1i41 h ASP 57 Ca -0.50 0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.80 1i41 h ASP 57 Cb 1.21 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.95 1i41 h ASP 57 CO 0.64 -0.10 0.13 1.23 -1.72 0.00 0.00 179.24 179.42 1i41 h GLY 58 N 0.21 0.62 0.87 2.75 0.00 -1.99 0.37 103.07 105.90 1i41 h GLY 58 Ca 0.45 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.77 1i41 h GLY 58 CO -0.59 -0.04 0.52 1.76 0.00 0.00 0.00 176.54 178.19 1i41 h SER 59 N 0.27 0.85 0.59 0.19 0.02 -1.45 -2.35 113.55 111.68 1i41 h SER 59 Ca 0.24 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1i41 h SER 59 Cb 0.30 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.66 1i41 h SER 59 CO -0.29 0.58 -0.28 0.58 -1.14 0.00 0.00 176.83 176.27 1i41 h VAL 60 N 1.00 0.00 -1.45 2.27 2.07 -0.32 -1.98 116.25 117.85 1i41 h VAL 60 Ca 0.32 -0.06 0.46 0.00 0.82 0.00 0.00 66.70 68.24 1i41 h VAL 60 Cb 0.02 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.69 1i41 h VAL 60 CO -0.12 0.00 0.99 0.00 0.02 0.00 0.00 177.57 178.46 1i41 n ALA 61 N -2.44 1.41 -0.00 1.67 0.00 0.11 0.18 120.51 121.45 1i41 n ALA 61 Ca -0.10 0.69 -0.01 0.00 0.00 0.00 0.00 53.44 54.02 1i41 n ALA 61 Cb 0.31 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 1i41 n ALA 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1i41 h ILE 62 N 0.00 0.00 -0.52 0.00 2.04 -1.11 -3.39 117.51 114.53 1i41 h ILE 62 Ca 0.80 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1i41 h ILE 62 Cb 2.87 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1i41 h ILE 62 CO -0.24 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.32 1i41 n HIS 63 N -4.27 0.69 -1.77 1.37 8.25 -0.21 -4.91 115.22 114.37 1i41 n HIS 63 Ca -0.01 -0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 56.68 1i41 n HIS 63 Cb 0.03 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1i41 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i41 s ALA 64 N -1.31 3.57 -1.10 -1.41 0.00 0.49 -2.42 121.76 119.58 1i41 s ALA 64 Ca 0.36 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 53.46 1i41 s ALA 64 Cb 0.19 -3.82 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1i41 s ALA 64 CO 0.25 -1.55 0.95 0.41 0.00 0.00 0.00 175.76 175.81 1i41 n GLY 65 N 4.45 -0.28 2.14 0.00 0.00 -1.26 -4.24 105.19 106.00 1i41 n GLY 65 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1i41 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i41 n GLU 66 N -4.08 0.00 -0.34 1.61 1.02 -1.01 -4.81 120.64 113.03 1i41 n GLU 66 Ca -0.07 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.26 1i41 n GLU 66 Cb 0.58 0.00 0.41 0.00 -0.02 0.00 0.00 31.44 32.40 1i41 n GLU 66 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1i41 h ARG 67 N 0.00 0.52 0.05 3.49 9.65 -1.83 -2.24 114.38 124.02 1i41 h ARG 67 Ca 0.00 -0.03 -0.28 0.00 -1.10 0.00 0.00 59.98 58.57 1i41 h ARG 67 Cb 0.00 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 1i41 h ARG 67 CO 0.00 0.35 -1.46 -0.07 2.80 0.00 0.00 179.97 181.59 1i41 h LEU 68 N 0.54 0.16 0.00 3.80 3.38 -1.93 -3.49 115.31 117.76 1i41 h LEU 68 Ca 0.65 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1i41 h LEU 68 Cb 1.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1i41 h LEU 68 CO -0.48 1.20 0.00 0.61 0.09 0.00 0.00 178.44 179.86 1i41 n GLY 69 N 1.56 1.82 0.00 0.83 0.00 -0.84 -5.07 105.19 103.48 1i41 n GLY 69 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1i41 n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i41 n ARG 70 N -0.42 0.96 0.00 1.61 0.63 -1.26 -3.88 116.66 114.29 1i41 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1i41 n ARG 70 Cb 0.00 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1i41 n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i41 n GLY 71 N 2.16 1.44 2.30 5.14 0.00 -1.26 -4.88 105.19 110.09 1i41 n GLY 71 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1i41 n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i41 n ILE 72 N -2.00 0.82 -1.11 -0.61 3.06 -1.26 -5.10 119.36 113.16 1i41 n ILE 72 Ca 0.00 -4.61 -0.44 0.00 -2.50 0.00 0.00 62.75 55.20 1i41 n ILE 72 Cb 0.00 -2.03 -0.06 0.00 0.54 0.00 0.00 39.64 38.09 1i41 n ILE 72 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1i41 n VAL 73 N 1.13 0.00 -3.53 9.51 0.31 -1.26 -4.98 118.33 119.51 1i41 n VAL 73 Ca 0.25 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.44 1i41 n VAL 73 Cb 0.47 -0.08 -0.05 0.00 -0.91 0.00 0.00 33.84 33.27 1i41 n VAL 73 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1i41 s THR 74 N 0.48 0.00 -0.34 2.52 -4.23 -1.26 -5.02 115.64 107.79 1i41 s THR 74 Ca 0.67 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.29 1i41 s THR 74 Cb -0.95 -1.00 0.70 0.00 1.34 0.00 0.00 72.50 72.60 1i41 s THR 74 CO 0.45 0.00 1.66 -0.90 -0.54 0.00 0.00 174.62 175.29 1i41 n ASP 75 N 0.69 4.87 -4.90 3.99 5.75 -1.26 -4.92 116.55 120.77 1i41 n ASP 75 Ca -0.15 -2.97 -0.31 0.00 -0.01 0.00 0.00 54.79 51.34 1i41 n ASP 75 Cb 0.58 -0.70 -0.05 0.00 -1.03 0.00 0.00 41.12 39.93 1i41 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i41 s ALA 76 N -2.65 3.84 -0.01 2.12 0.00 -1.26 -5.03 121.76 118.76 1i41 s ALA 76 Ca 0.49 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.61 1i41 s ALA 76 Cb 0.38 -2.07 -0.14 0.00 0.00 0.00 0.00 23.12 21.29 1i41 s ALA 76 CO 0.13 0.70 1.01 0.82 0.00 0.00 0.00 175.76 178.43 1i41 h ILE 77 N 2.06 0.43 -4.41 0.00 2.04 -2.03 -3.46 117.51 112.14 1i41 h ILE 77 Ca -0.46 -0.63 -0.46 0.00 1.00 0.00 0.00 64.86 64.30 1i41 h ILE 77 Cb 1.16 0.65 0.12 0.00 -0.74 0.00 0.00 36.82 38.02 1i41 h ILE 77 CO 0.73 0.09 0.35 0.42 0.00 0.00 0.00 178.15 179.74 1i41 s THR 78 N -4.15 2.00 0.05 -0.27 -4.23 -1.26 -5.00 115.64 102.78 1i41 s THR 78 Ca -0.13 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.13 1i41 s THR 78 Cb 0.01 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 1i41 s THR 78 CO 0.44 0.00 0.80 -0.89 -0.54 0.00 0.00 174.62 174.43 1i41 s THR 79 N -3.43 4.71 0.01 3.99 2.01 -1.26 -5.03 115.64 116.63 1i41 s THR 79 Ca 0.63 1.70 -0.30 0.00 0.31 0.00 0.00 61.69 64.03 1i41 s THR 79 Cb -0.13 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 1i41 s THR 79 CO 0.51 0.35 0.99 -2.16 -0.69 0.00 0.00 174.62 173.62 1i41 s PRO 80 N -0.01 4.56 -0.45 4.92 0.05 -1.26 -5.00 135.00 137.82 1i41 s PRO 80 Ca 0.40 1.44 -0.29 0.00 0.05 0.00 0.00 61.00 62.60 1i41 s PRO 80 Cb -0.21 -3.45 0.03 0.00 0.05 0.00 0.00 34.50 30.92 1i41 s PRO 80 CO 0.24 -0.05 1.13 0.08 0.05 0.00 0.00 177.00 178.46 1i41 s VAL 81 N 0.96 4.25 -0.47 -0.36 1.01 -1.26 -4.46 120.40 120.07 1i41 s VAL 81 Ca 0.52 1.30 -0.20 0.00 0.00 0.00 0.00 61.98 63.61 1i41 s VAL 81 Cb -0.21 -4.57 0.04 0.00 0.00 0.00 0.00 36.38 31.63 1i41 s VAL 81 CO 0.28 -0.93 0.62 -0.69 0.00 0.00 0.00 175.10 174.38 1i41 s VAL 82 N 4.34 4.86 -1.17 2.92 1.01 -1.26 -4.99 120.40 126.11 1i41 s VAL 82 Ca 0.48 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1i41 s VAL 82 Cb -0.08 -4.24 0.24 0.00 0.00 0.00 0.00 36.38 32.30 1i41 s VAL 82 CO 0.29 -0.70 1.53 0.59 0.00 0.00 0.00 175.10 176.82 1i41 n ASN 83 N 6.19 5.66 -4.22 3.32 3.02 -1.26 -4.79 115.26 123.18 1i41 n ASN 83 Ca -0.05 -3.18 -0.24 0.00 -0.03 0.00 0.00 54.58 51.09 1i41 n ASN 83 Cb 0.47 -1.40 -0.14 0.00 -0.61 0.00 0.00 39.78 38.10 1i41 n ASN 83 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i41 s THR 84 N -0.84 1.50 -0.72 3.41 -1.32 -1.26 -5.02 115.64 111.39 1i41 s THR 84 Ca 0.36 -1.17 0.23 0.00 -1.21 0.00 0.00 61.69 59.90 1i41 s THR 84 Cb 0.02 -1.32 -0.09 0.00 -1.51 0.00 0.00 72.50 69.60 1i41 s THR 84 CO 0.03 0.11 1.10 -1.54 -2.21 0.00 0.00 174.62 172.11 1i41 n SER 85 N 1.79 0.63 -3.82 8.08 3.41 -1.26 -4.70 113.62 117.75 1i41 n SER 85 Ca -0.18 -0.27 -0.08 0.00 -0.26 0.00 0.00 58.87 58.09 1i41 n SER 85 Cb 0.54 0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 65.14 1i41 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i41 s ALA 86 N -3.14 -1.19 0.02 7.33 0.00 -1.26 -1.93 121.76 121.58 1i41 s ALA 86 Ca 0.06 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.82 1i41 s ALA 86 Cb 0.15 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 1i41 s ALA 86 CO 0.78 -1.00 -0.19 0.71 0.00 0.00 0.00 175.76 176.06 1i41 s TYR 87 N -3.91 1.70 0.53 0.00 1.51 0.66 -4.89 117.35 112.95 1i41 s TYR 87 Ca 0.11 -0.35 0.09 0.00 -1.01 0.00 0.00 57.07 55.90 1i41 s TYR 87 Cb -0.05 -1.04 0.09 0.00 -0.11 0.00 0.00 41.96 40.84 1i41 s TYR 87 CO 0.05 0.04 0.71 1.97 -1.11 0.00 0.00 175.55 177.21 1i41 n PHE 88 N 2.14 -2.23 -4.09 2.71 1.16 -1.26 -4.73 117.46 111.16 1i41 n PHE 88 Ca -0.16 -1.95 -0.10 0.00 -1.87 0.00 0.00 57.45 53.36 1i41 n PHE 88 Cb 0.54 -0.50 -0.11 0.00 -1.61 0.00 0.00 39.48 37.80 1i41 n PHE 88 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1i41 s PHE 89 N -2.31 0.64 -0.33 2.97 0.40 -1.26 -5.03 117.98 113.06 1i41 s PHE 89 Ca 0.54 -0.77 0.22 0.00 -0.60 0.00 0.00 56.93 56.31 1i41 s PHE 89 Cb -0.04 -0.40 0.19 0.00 0.51 0.00 0.00 43.02 43.27 1i41 s PHE 89 CO 0.34 -0.19 1.39 -0.91 0.70 0.00 0.00 175.22 176.55 1i41 h ASN 90 N 3.70 0.00 -4.34 1.36 2.35 -2.01 -3.48 115.58 113.16 1i41 h ASN 90 Ca -0.35 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.54 1i41 h ASN 90 Cb 1.18 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.36 1i41 h ASN 90 CO 0.55 0.09 0.59 -1.59 -1.65 0.00 0.00 177.43 175.41 1i41 s LYS 91 N -3.21 0.62 0.25 0.81 -2.85 -1.26 -5.04 119.74 109.06 1i41 s LYS 91 Ca 0.04 -0.11 -0.04 0.00 -1.00 0.00 0.00 55.97 54.87 1i41 s LYS 91 Cb 0.07 0.29 0.48 0.00 -2.06 0.00 0.00 37.83 36.61 1i41 s LYS 91 CO 0.72 -0.25 1.71 1.15 0.10 0.00 0.00 175.35 178.78 1i41 h THR 92 N 2.19 0.58 -0.60 3.79 2.02 -2.00 -2.01 112.91 116.89 1i41 h THR 92 Ca -0.18 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 66.95 1i41 h THR 92 Cb 1.20 0.19 -0.10 0.00 -1.74 0.00 0.00 68.15 67.69 1i41 h THR 92 CO 0.29 0.07 -0.50 -1.28 0.37 0.00 0.00 175.52 174.46 1i41 h SER 93 N 0.36 -1.74 0.47 4.18 0.87 -2.00 0.03 113.55 115.73 1i41 h SER 93 Ca 0.43 0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 61.24 1i41 h SER 93 Cb 0.70 0.76 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 1i41 h SER 93 CO -0.46 -0.34 -0.37 -0.33 -0.53 0.00 0.00 176.83 174.80 1i41 h GLU 94 N -0.25 -0.80 -0.99 2.24 5.08 -1.79 -1.74 114.58 116.34 1i41 h GLU 94 Ca 0.14 0.05 0.23 0.00 -1.00 0.00 0.00 59.36 58.79 1i41 h GLU 94 Cb 0.55 0.18 -0.19 0.00 0.50 0.00 0.00 28.75 29.80 1i41 h GLU 94 CO -0.70 -0.53 -0.12 1.25 -1.00 0.00 0.00 179.01 177.90 1i41 h LEU 95 N -0.83 -0.72 0.22 1.33 5.85 -0.97 0.93 115.31 121.13 1i41 h LEU 95 Ca -0.05 0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1i41 h LEU 95 Cb 0.71 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1i41 h LEU 95 CO -0.00 -0.34 -0.29 0.40 -0.34 0.00 0.00 178.44 177.87 1i41 h ILE 96 N 0.00 0.39 -0.73 4.05 2.04 -0.47 0.10 117.51 122.89 1i41 h ILE 96 Ca 0.53 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.47 1i41 h ILE 96 Cb 0.96 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 37.32 1i41 h ILE 96 CO -0.97 0.00 -0.55 0.44 0.00 0.00 0.00 178.15 177.06 1i41 h ASP 97 N -0.56 -1.95 -0.31 1.72 3.32 0.17 0.53 116.42 119.34 1i41 h ASP 97 Ca 0.00 0.29 0.07 0.00 0.02 0.00 0.00 57.03 57.41 1i41 h ASP 97 Cb 0.54 0.85 -0.08 0.00 0.22 0.00 0.00 39.33 40.86 1i41 h ASP 97 CO -0.10 -0.31 -0.25 0.15 -1.72 0.00 0.00 179.24 177.01 1i41 h PHE 98 N -0.17 -0.66 -0.29 4.55 3.57 -0.64 0.27 116.94 123.57 1i41 h PHE 98 Ca 0.14 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1i41 h PHE 98 Cb 0.51 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1i41 h PHE 98 CO -0.87 -0.32 0.25 0.87 -2.23 0.00 0.00 178.31 176.00 1i41 h LYS 99 N -0.22 0.00 -0.64 1.11 1.79 0.14 0.14 116.57 118.89 1i41 h LYS 99 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1i41 h LYS 99 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1i41 h LYS 99 CO -0.44 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.32 1i41 n GLU 100 N -4.13 3.86 -3.62 3.15 1.02 0.15 -4.94 120.64 116.14 1i41 n GLU 100 Ca 0.04 -2.62 -0.23 0.00 -0.02 0.00 0.00 57.16 54.33 1i41 n GLU 100 Cb 0.40 -1.98 0.07 0.00 -0.02 0.00 0.00 31.44 29.91 1i41 n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i41 n LYS 101 N 0.78 -7.21 -0.00 3.49 4.01 0.49 -4.88 118.16 114.84 1i41 n LYS 101 Ca 0.23 0.79 0.01 0.00 -0.51 0.00 0.00 58.31 58.83 1i41 n LYS 101 Cb 0.93 -5.79 -0.01 0.00 -0.51 0.00 0.00 35.03 29.64 1i41 n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1i41 n ARG 102 N -4.76 5.24 -4.24 1.97 1.74 -0.46 -5.00 116.66 111.15 1i41 n ARG 102 Ca -0.06 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 1i41 n ARG 102 Cb 0.58 -0.68 -0.10 0.00 -1.02 0.00 0.00 32.46 31.24 1i41 n ARG 102 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i41 s ARG 103 N -1.37 1.10 -0.08 5.56 3.52 -1.24 -4.85 118.95 121.58 1i41 s ARG 103 Ca 0.01 -1.52 0.02 0.00 -0.13 0.00 0.00 55.73 54.10 1i41 s ARG 103 Cb 0.02 -0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.09 1i41 s ARG 103 CO 0.10 -0.11 -0.13 0.00 -0.81 0.00 0.00 175.30 174.35 1i41 s ALA 104 N -3.63 2.69 -0.24 6.12 0.00 -1.26 -4.49 121.76 120.96 1i41 s ALA 104 Ca 0.23 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 1i41 s ALA 104 Cb 0.06 -1.10 0.14 0.00 0.00 0.00 0.00 23.12 22.21 1i41 s ALA 104 CO 0.03 0.43 1.09 0.45 0.00 0.00 0.00 175.76 177.77 1i41 s SER 105 N -0.30 -0.34 0.35 0.00 0.15 -1.26 -5.01 113.70 107.28 1i41 s SER 105 Ca 0.03 0.55 0.25 0.00 0.70 0.00 0.00 55.95 57.48 1i41 s SER 105 Cb -0.13 0.52 0.57 0.00 -1.71 0.00 0.00 66.02 65.27 1i41 s SER 105 CO 0.03 -0.19 1.69 -0.26 1.20 0.00 0.00 173.24 175.70 1i41 h PHE 106 N 3.35 0.00 0.00 3.44 0.04 -1.93 -3.47 116.94 118.37 1i41 h PHE 106 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1i41 h PHE 106 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1i41 h PHE 106 CO 0.29 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 176.09 1i41 n GLU 107 N -2.74 0.00 -4.21 1.51 2.13 -1.26 -4.50 120.64 111.56 1i41 n GLU 107 Ca 0.05 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.57 1i41 n GLU 107 Cb 0.48 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.09 1i41 n GLU 107 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1i41 s TYR 108 N 0.00 2.77 0.40 4.31 5.04 -1.26 -0.24 117.35 128.36 1i41 s TYR 108 Ca 0.00 -0.14 0.07 0.00 -2.44 0.00 0.00 57.07 54.55 1i41 s TYR 108 Cb 0.00 -1.43 0.81 0.00 0.35 0.00 0.00 41.96 41.69 1i41 s TYR 108 CO 0.00 0.44 2.02 0.78 -1.34 0.00 0.00 175.55 177.46 1i41 h GLY 109 N 3.49 0.56 1.92 8.97 0.00 -1.59 -1.57 103.07 114.85 1i41 h GLY 109 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1i41 h GLY 109 CO 0.53 0.23 0.00 -2.13 0.00 0.00 0.00 176.54 175.17 1i41 n ARG 110 N -4.43 0.02 0.00 4.80 0.63 -1.26 -1.74 116.66 114.67 1i41 n ARG 110 Ca 0.03 0.33 0.07 0.00 -0.92 0.00 0.00 57.85 57.36 1i41 n ARG 110 Cb 0.10 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.45 1i41 n ARG 110 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1i41 n TYR 111 N -1.46 0.00 0.00 -0.14 4.01 -0.60 -4.74 117.16 114.23 1i41 n TYR 111 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1i41 n TYR 111 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1i41 n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 112 N 1.28 0.58 3.64 2.72 0.00 -0.71 -4.98 105.19 107.71 1i41 n GLY 112 Ca 0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 1i41 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i41 s ASN 113 N 0.00 -0.62 0.29 1.61 3.84 -1.26 -4.40 114.94 114.39 1i41 s ASN 113 Ca 0.00 1.07 0.02 0.00 0.21 0.00 0.00 52.86 54.16 1i41 s ASN 113 Cb 0.00 1.19 0.57 0.00 -0.55 0.00 0.00 41.25 42.46 1i41 s ASN 113 CO 0.00 -0.18 1.85 1.55 -2.79 0.00 0.00 177.10 177.53 1i41 h PRO 114 N 5.62 0.96 0.00 0.43 0.13 -1.96 0.55 132.00 137.73 1i41 h PRO 114 Ca -0.29 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1i41 h PRO 114 Cb 1.19 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1i41 h PRO 114 CO 0.14 0.63 0.00 -2.37 -0.23 0.00 0.00 178.00 176.18 1i41 n THR 115 N -4.59 0.63 -0.11 1.56 5.66 -1.26 -3.76 114.28 112.41 1i41 n THR 115 Ca 0.18 -0.07 -0.21 0.00 -3.05 0.00 0.00 64.05 60.91 1i41 n THR 115 Cb 0.34 -0.78 -0.09 0.00 -1.55 0.00 0.00 70.33 68.25 1i41 n THR 115 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i41 n THR 116 N -2.13 1.52 -0.35 1.09 -1.04 0.04 -4.33 114.28 109.07 1i41 n THR 116 Ca 0.05 -0.08 0.29 0.00 -2.04 0.00 0.00 64.05 62.27 1i41 n THR 116 Cb 0.34 -2.06 0.55 0.00 -1.82 0.00 0.00 70.33 67.34 1i41 n THR 116 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1i41 h VAL 117 N -1.00 0.15 0.05 12.58 -1.51 -1.25 0.15 116.25 125.43 1i41 h VAL 117 Ca -0.38 -0.05 0.01 0.00 -1.23 0.00 0.00 66.70 65.05 1i41 h VAL 117 Cb 1.26 -0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 30.38 1i41 h VAL 117 CO -0.23 0.03 -0.29 0.58 -1.23 0.00 0.00 177.57 176.42 1i41 h VAL 118 N 0.16 0.00 -0.78 7.19 2.07 -1.75 0.37 116.25 123.50 1i41 h VAL 118 Ca 0.79 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.54 1i41 h VAL 118 Cb 2.06 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1i41 h VAL 118 CO -0.63 0.00 0.60 0.25 0.02 0.00 0.00 177.57 177.80 1i41 h LEU 119 N -0.41 0.00 -0.05 2.57 5.85 -0.94 0.12 115.31 122.45 1i41 h LEU 119 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1i41 h LEU 119 Cb 0.42 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1i41 h LEU 119 CO -0.17 0.00 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.58 1i41 h GLU 120 N 0.00 0.09 -0.17 1.25 5.08 0.28 -2.29 114.58 118.84 1i41 h GLU 120 Ca 0.37 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1i41 h GLU 120 Cb 1.56 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1i41 h GLU 120 CO -0.00 0.48 -0.43 0.93 -1.00 0.00 0.00 179.01 178.98 1i41 h GLU 121 N -0.29 0.39 0.38 2.33 5.08 0.15 -1.66 114.58 120.96 1i41 h GLU 121 Ca 0.01 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1i41 h GLU 121 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1i41 h GLU 121 CO 0.01 0.75 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.37 1i41 h LYS 122 N 0.32 -0.49 -0.69 2.33 3.64 -0.85 -0.54 116.57 120.29 1i41 h LYS 122 Ca 0.03 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1i41 h LYS 122 Cb 0.89 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1i41 h LYS 122 CO 0.07 -0.32 0.30 0.82 -2.27 0.00 0.00 179.45 178.06 1i41 h ILE 123 N -0.52 1.24 -0.17 2.00 2.04 -1.40 -2.08 117.51 118.62 1i41 h ILE 123 Ca -0.05 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.14 1i41 h ILE 123 Cb 0.39 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1i41 h ILE 123 CO 0.08 0.29 -0.42 0.28 0.00 0.00 0.00 178.15 178.39 1i41 h SER 124 N 0.98 -1.31 -0.70 1.72 0.02 -0.99 -0.76 113.55 112.50 1i41 h SER 124 Ca 0.23 0.18 0.12 0.00 -0.84 0.00 0.00 61.79 61.48 1i41 h SER 124 Cb 0.17 0.54 -0.08 0.00 0.14 0.00 0.00 62.40 63.17 1i41 h SER 124 CO -0.02 -0.41 0.29 0.00 -1.14 0.00 0.00 176.83 175.54 1i41 h ALA 125 N 0.18 0.96 0.43 3.77 0.00 -0.76 0.40 119.26 124.24 1i41 h ALA 125 Ca 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1i41 h ALA 125 Cb 0.61 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1i41 h ALA 125 CO -0.42 -0.16 -0.25 -0.07 0.00 0.00 0.00 179.25 178.34 1i41 h LEU 126 N 0.47 -0.62 0.00 0.00 3.38 -0.61 -1.86 115.31 116.08 1i41 h LEU 126 Ca 0.37 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1i41 h LEU 126 Cb 0.49 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1i41 h LEU 126 CO -0.34 -0.40 0.00 -0.62 0.09 0.00 0.00 178.44 177.16 1i41 n GLU 127 N -5.38 0.56 -3.51 1.13 -0.58 -0.39 -4.87 120.64 107.60 1i41 n GLU 127 Ca -0.11 0.03 -0.23 0.00 -0.42 0.00 0.00 57.16 56.43 1i41 n GLU 127 Cb 0.29 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.73 1i41 n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i41 n GLY 128 N 0.76 -0.46 4.00 0.62 0.00 0.12 -4.73 105.19 105.49 1i41 n GLY 128 Ca 0.15 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.17 1i41 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 129 N -3.29 4.14 -0.01 4.61 0.00 0.01 -4.98 121.76 122.23 1i41 s ALA 129 Ca 0.54 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 1i41 s ALA 129 Cb -0.24 -1.84 -0.33 0.00 0.00 0.00 0.00 23.12 20.70 1i41 s ALA 129 CO 0.67 -0.88 0.86 1.49 0.00 0.00 0.00 175.76 177.90 1i41 h GLU 130 N 0.04 0.46 -2.08 0.00 4.81 -1.85 -3.43 114.58 112.53 1i41 h GLU 130 Ca -0.38 -0.79 -0.00 0.00 -0.13 0.00 0.00 59.36 58.06 1i41 h GLU 130 Cb 1.28 0.29 -0.18 0.00 0.63 0.00 0.00 28.75 30.77 1i41 h GLU 130 CO 0.45 1.38 0.31 0.45 -0.73 0.00 0.00 179.01 180.86 1i41 s SER 131 N -7.41 -0.55 0.12 1.04 0.15 -0.80 -4.84 113.70 101.41 1i41 s SER 131 Ca -0.12 0.46 0.06 0.00 0.70 0.00 0.00 55.95 57.05 1i41 s SER 131 Cb 0.04 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 1i41 s SER 131 CO 0.90 -0.60 -0.15 -0.89 1.20 0.00 0.00 173.24 173.69 1i41 s THR 132 N -1.76 1.40 0.17 6.45 2.01 -1.26 -1.35 115.64 121.31 1i41 s THR 132 Ca -0.05 -1.71 0.11 0.00 0.31 0.00 0.00 61.69 60.34 1i41 s THR 132 Cb -0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1i41 s THR 132 CO 0.03 -0.37 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.13 1i41 s LEU 133 N -2.41 2.41 -0.17 4.42 2.96 0.20 -4.90 118.68 121.19 1i41 s LEU 133 Ca 0.09 -0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 53.15 1i41 s LEU 133 Cb -0.06 -1.10 0.05 0.00 0.50 0.00 0.00 46.19 45.59 1i41 s LEU 133 CO 0.03 0.10 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.38 1i41 s LEU 134 N -2.55 1.44 0.00 -0.68 1.43 -1.26 -1.37 118.68 115.68 1i41 s LEU 134 Ca 0.18 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1i41 s LEU 134 Cb -0.08 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.39 1i41 s LEU 134 CO 0.08 -0.23 0.19 0.23 0.23 0.00 0.00 176.35 176.85 1i41 n MET 135 N 4.94 0.54 0.14 1.70 2.81 -1.08 -4.22 117.12 121.95 1i41 n MET 135 Ca -0.10 -0.53 0.07 0.00 -1.81 0.00 0.00 57.70 55.33 1i41 n MET 135 Cb 0.47 -0.12 0.04 0.00 -0.71 0.00 0.00 33.22 32.91 1i41 n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i41 h ALA 136 N -0.37 0.73 -1.96 3.04 0.00 -1.29 -2.85 119.26 116.56 1i41 h ALA 136 Ca -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1i41 h ALA 136 Cb 0.23 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.85 1i41 h ALA 136 CO 0.07 0.34 0.32 -1.54 0.00 0.00 0.00 179.25 178.43 1i41 s SER 137 N -6.00 -0.55 0.15 0.00 1.04 -1.26 -2.94 113.70 104.13 1i41 s SER 137 Ca 0.03 0.53 -0.31 0.00 0.48 0.00 0.00 55.95 56.68 1i41 s SER 137 Cb 0.07 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.58 1i41 s SER 137 CO 0.74 -0.56 1.53 1.23 0.98 0.00 0.00 173.24 177.17 1i41 h GLY 138 N 2.73 -0.94 -0.58 7.32 0.00 -1.81 0.18 103.07 109.98 1i41 h GLY 138 Ca -0.25 0.78 0.23 0.00 0.00 0.00 0.00 47.33 48.09 1i41 h GLY 138 CO 0.36 -0.03 0.10 -0.33 0.00 0.00 0.00 176.54 176.64 1i41 h MET 139 N -0.12 0.11 -0.20 4.80 2.86 -1.94 0.31 114.93 120.75 1i41 h MET 139 Ca 0.13 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1i41 h MET 139 Cb 0.46 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.02 1i41 h MET 139 CO -0.81 0.07 -0.26 0.00 1.06 0.00 0.00 176.91 176.97 1i41 h ALA 141 N 0.69 -0.51 -0.50 0.00 0.00 0.11 0.50 119.26 119.54 1i41 h ALA 141 Ca 0.12 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 141 Cb 0.48 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 1i41 h ALA 141 CO -0.37 -0.59 -0.15 0.77 0.00 0.00 0.00 179.25 178.91 1i41 h SER 142 N -0.16 -0.54 -0.04 0.00 0.02 -1.28 0.34 113.55 111.89 1i41 h SER 142 Ca 0.02 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1i41 h SER 142 Cb 0.21 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1i41 h SER 142 CO -0.18 -0.19 -0.19 0.74 -1.14 0.00 0.00 176.83 175.88 1i41 h THR 143 N -0.03 0.00 -0.15 -2.27 2.02 -0.06 0.58 112.91 113.01 1i41 h THR 143 Ca 0.24 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.47 1i41 h THR 143 Cb 0.40 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 1i41 h THR 143 CO -0.53 0.00 -0.28 0.58 0.37 0.00 0.00 175.52 175.65 1i41 h VAL 144 N -0.21 0.34 -0.74 3.16 2.07 0.43 -1.58 116.25 119.73 1i41 h VAL 144 Ca 0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 1i41 h VAL 144 Cb 0.24 0.34 -0.14 0.00 -1.52 0.00 0.00 31.29 30.21 1i41 h VAL 144 CO -0.15 0.00 -0.14 -0.03 0.02 0.00 0.00 177.57 177.27 1i41 h MET 145 N -0.35 0.02 0.56 1.57 -1.53 -0.02 0.22 114.93 115.41 1i41 h MET 145 Ca 0.10 -0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.33 1i41 h MET 145 Cb 0.51 -0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.56 1i41 h MET 145 CO -0.34 0.01 -0.27 -0.07 0.14 0.00 0.00 176.91 176.38 1i41 h LEU 146 N 0.02 -0.64 -2.00 3.39 3.38 -0.26 -1.34 115.31 117.85 1i41 h LEU 146 Ca 0.37 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.45 1i41 h LEU 146 Cb 0.58 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1i41 h LEU 146 CO -0.74 -0.33 0.44 -0.07 0.09 0.00 0.00 178.44 177.83 1i41 h LEU 147 N -0.95 0.00 0.12 1.67 3.38 -0.66 -1.11 115.31 117.76 1i41 h LEU 147 Ca -0.08 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 1i41 h LEU 147 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1i41 h LEU 147 CO 0.13 0.00 -1.00 0.00 0.09 0.00 0.00 178.44 177.66 1i41 h ALA 148 N 1.61 0.02 0.09 1.53 0.00 -0.36 -3.41 119.26 118.73 1i41 h ALA 148 Ca 0.25 -0.84 -0.32 0.00 0.00 0.00 0.00 54.91 54.00 1i41 h ALA 148 Cb 1.13 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1i41 h ALA 148 CO -0.00 0.53 -1.73 -0.07 0.00 0.00 0.00 179.25 177.97 1i41 h LEU 149 N -0.40 0.30 -9.03 0.00 3.38 -0.89 -3.46 115.31 105.20 1i41 h LEU 149 Ca -0.20 -0.81 -0.57 0.00 0.09 0.00 0.00 57.88 56.39 1i41 h LEU 149 Cb 1.64 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 1i41 h LEU 149 CO 0.10 1.73 1.03 -0.69 0.09 0.00 0.00 178.44 180.70 1i41 s VAL 150 N -2.50 3.95 0.99 1.22 1.01 -0.45 -5.01 120.40 119.62 1i41 s VAL 150 Ca -0.24 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 1i41 s VAL 150 Cb 0.06 -3.92 0.19 0.00 0.00 0.00 0.00 36.38 32.71 1i41 s VAL 150 CO 0.72 -0.33 1.10 -2.84 0.00 0.00 0.00 175.10 173.74 1i41 s PRO 151 N 4.27 0.47 0.25 2.72 0.02 -1.26 -4.80 135.00 136.66 1i41 s PRO 151 Ca 0.63 0.49 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 1i41 s PRO 151 Cb -0.22 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1i41 s PRO 151 CO 0.25 -2.70 1.42 0.00 -0.33 0.00 0.00 177.00 175.64 1i41 s ALA 152 N -3.00 3.61 0.00 -1.55 0.00 -1.26 -2.03 121.76 117.53 1i41 s ALA 152 Ca 0.65 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1i41 s ALA 152 Cb -0.18 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1i41 s ALA 152 CO 0.57 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1i41 n GLY 153 N 2.13 1.82 3.53 0.00 0.00 0.93 -4.94 105.19 108.67 1i41 n GLY 153 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1i41 n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 154 N -2.00 1.53 0.17 -0.02 0.00 -0.86 -4.54 107.32 101.60 1i41 s GLY 154 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 44.72 44.40 1i41 s GLY 154 CO 0.00 0.34 -0.16 -1.58 0.00 0.00 0.00 173.10 171.70 1i41 s HIS 155 N -2.65 2.50 0.04 1.90 5.65 -1.26 -1.58 115.29 119.89 1i41 s HIS 155 Ca 0.68 -0.28 -0.03 0.00 0.25 0.00 0.00 55.06 55.68 1i41 s HIS 155 Cb -0.20 -1.26 -0.02 0.00 -1.18 0.00 0.00 32.58 29.92 1i41 s HIS 155 CO 0.61 0.47 0.03 -1.50 -0.65 0.00 0.00 174.74 173.70 1i41 s ILE 156 N -1.54 0.15 -0.09 0.89 2.07 -0.40 -1.19 121.20 121.09 1i41 s ILE 156 Ca 0.22 -1.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.20 1i41 s ILE 156 Cb -0.09 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.57 1i41 s ILE 156 CO 0.12 -0.70 -0.10 -0.69 -1.91 0.00 0.00 174.94 171.66 1i41 s VAL 157 N -2.78 1.09 0.31 4.00 1.01 -0.79 -0.81 120.40 122.43 1i41 s VAL 157 Ca -0.04 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1i41 s VAL 157 Cb -0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1i41 s VAL 157 CO -0.06 0.36 0.10 0.42 0.00 0.00 0.00 175.10 175.93 1i41 s THR 158 N 1.17 0.74 0.69 3.92 -4.23 -0.80 0.23 115.64 117.35 1i41 s THR 158 Ca -0.05 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1i41 s THR 158 Cb -0.14 -2.62 0.09 0.00 1.34 0.00 0.00 72.50 71.17 1i41 s THR 158 CO -0.02 0.00 0.96 0.42 -0.54 0.00 0.00 174.62 175.44 1i41 s THR 159 N -3.49 2.31 0.07 3.99 -4.23 -1.25 -1.52 115.64 111.53 1i41 s THR 159 Ca 0.35 -0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1i41 s THR 159 Cb 0.07 -2.82 -0.26 0.00 1.34 0.00 0.00 72.50 70.82 1i41 s THR 159 CO 0.15 0.00 1.12 0.71 -0.54 0.00 0.00 174.62 176.06 1i41 h THR 160 N -0.47 1.48 -0.24 3.99 1.35 -1.51 -3.36 112.91 114.15 1i41 h THR 160 Ca -0.41 -3.10 -0.22 0.00 -0.55 0.00 0.00 66.41 62.14 1i41 h THR 160 Cb 1.29 2.88 -0.08 0.00 -1.73 0.00 0.00 68.15 70.51 1i41 h THR 160 CO 0.48 0.89 -0.08 0.47 -0.25 0.00 0.00 175.52 177.03 1i41 n ASP 161 N -3.46 5.61 -4.81 5.36 9.92 -1.26 -4.93 116.55 122.97 1i41 n ASP 161 Ca -0.08 -2.65 -0.31 0.00 -0.53 0.00 0.00 54.79 51.22 1i41 n ASP 161 Cb 1.01 -1.29 0.07 0.00 -0.64 0.00 0.00 41.12 40.27 1i41 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i41 s TYR 163 N -3.08 3.40 0.00 0.00 5.04 -1.26 -4.86 117.35 116.58 1i41 s TYR 163 Ca 0.59 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 1i41 s TYR 163 Cb -0.14 -3.21 0.00 0.00 0.35 0.00 0.00 41.96 38.96 1i41 s TYR 163 CO 0.55 -0.38 0.00 -2.13 -1.34 0.00 0.00 175.55 172.25 1i41 n ARG 164 N 5.82 0.00 -0.04 4.97 3.00 -1.26 0.23 116.66 129.37 1i41 n ARG 164 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.87 1i41 n ARG 164 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.91 1i41 n ARG 164 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1i41 h LYS 165 N 0.00 -0.04 -1.09 -0.14 6.56 -1.97 -0.87 116.57 119.02 1i41 h LYS 165 Ca 0.00 0.00 0.30 0.00 -1.06 0.00 0.00 60.65 59.89 1i41 h LYS 165 Cb 0.00 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 31.60 1i41 h LYS 165 CO 0.00 -0.03 0.74 1.15 -2.06 0.00 0.00 179.45 179.25 1i41 h THR 166 N -0.04 0.47 0.57 -0.16 2.02 -0.61 0.25 112.91 115.40 1i41 h THR 166 Ca 0.11 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1i41 h THR 166 Cb 0.21 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1i41 h THR 166 CO -0.25 0.04 -0.27 -0.09 0.37 0.00 0.00 175.52 175.31 1i41 h ARG 167 N 0.20 -0.74 -0.74 6.66 9.65 -0.36 -3.07 114.38 125.98 1i41 h ARG 167 Ca 0.57 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.65 1i41 h ARG 167 Cb 1.84 0.17 -0.14 0.00 -1.39 0.00 0.00 29.97 30.45 1i41 h ARG 167 CO -0.16 -0.49 -0.22 0.82 2.80 0.00 0.00 179.97 182.72 1i41 h ILE 168 N -1.04 0.23 -0.09 1.20 2.04 -0.50 0.11 117.51 119.46 1i41 h ILE 168 Ca -0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1i41 h ILE 168 Cb 0.59 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1i41 h ILE 168 CO 0.13 0.00 -0.49 0.15 0.00 0.00 0.00 178.15 177.94 1i41 h PHE 169 N -0.02 -1.42 -0.44 1.37 3.57 -1.30 0.74 116.94 119.44 1i41 h PHE 169 Ca 0.34 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.95 1i41 h PHE 169 Cb 0.55 0.63 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1i41 h PHE 169 CO -0.61 -0.53 0.30 0.82 -2.23 0.00 0.00 178.31 176.06 1i41 h ILE 170 N -0.58 0.96 0.00 1.41 2.04 -1.10 0.25 117.51 120.50 1i41 h ILE 170 Ca 0.05 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1i41 h ILE 170 Cb 0.67 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1i41 h ILE 170 CO -0.39 0.06 -0.73 -0.33 0.00 0.00 0.00 178.15 176.76 1i41 h GLU 171 N 0.36 0.00 0.00 2.37 5.08 0.78 -3.38 114.58 119.78 1i41 h GLU 171 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1i41 h GLU 171 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1i41 h GLU 171 CO -0.05 0.00 -0.92 0.25 -1.00 0.00 0.00 179.01 177.29 1i41 n THR 172 N -2.32 0.00 -0.04 1.13 -2.24 0.24 -4.77 114.28 106.28 1i41 n THR 172 Ca 0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1i41 n THR 172 Cb 0.48 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 68.09 1i41 n THR 172 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1i41 h ILE 173 N 0.00 0.00 -1.01 2.28 1.08 -0.64 -3.40 117.51 115.82 1i41 h ILE 173 Ca 0.00 -0.67 0.32 0.00 -0.39 0.00 0.00 64.86 64.13 1i41 h ILE 173 Cb 0.92 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.53 1i41 h ILE 173 CO 0.00 0.00 0.58 -0.07 -0.69 0.00 0.00 178.15 177.97 1i41 h LEU 174 N -0.67 0.51 -2.33 1.44 3.38 -1.70 0.45 115.31 116.39 1i41 h LEU 174 Ca 0.00 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1i41 h LEU 174 Cb 0.19 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1i41 h LEU 174 CO 0.00 -0.13 0.16 1.55 0.09 0.00 0.00 178.44 180.11 1i41 h PRO 175 N 0.32 0.00 -0.13 1.13 0.13 -1.74 0.26 132.00 131.97 1i41 h PRO 175 Ca 0.74 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.84 1i41 h PRO 175 Cb 1.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.81 1i41 h PRO 175 CO -0.60 0.00 -0.05 0.87 -0.23 0.00 0.00 178.00 177.99 1i41 h LYS 176 N 0.00 0.19 -0.64 0.86 1.57 -0.29 0.24 116.57 118.50 1i41 h LYS 176 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1i41 h LYS 176 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1i41 h LYS 176 CO -0.00 0.26 0.00 -1.33 -0.57 0.00 0.00 179.45 177.81 1i41 n MET 177 N -4.37 3.15 -1.40 3.15 2.81 0.85 -4.88 117.12 116.44 1i41 n MET 177 Ca -0.01 -2.06 -0.14 0.00 -1.81 0.00 0.00 57.70 53.69 1i41 n MET 177 Cb 0.20 -1.80 -0.06 0.00 -0.71 0.00 0.00 33.22 30.85 1i41 n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i41 n GLY 178 N 0.76 1.41 3.58 3.03 0.00 0.84 -0.05 105.19 114.77 1i41 n GLY 178 Ca 0.18 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1i41 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i41 s ILE 179 N -2.43 4.68 0.39 -0.61 1.01 -0.91 -3.40 121.20 119.93 1i41 s ILE 179 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 1i41 s ILE 179 Cb 0.00 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1i41 s ILE 179 CO 0.00 -0.51 0.63 0.28 0.00 0.00 0.00 174.94 175.34 1i41 s THR 180 N 3.24 4.95 0.03 2.92 -1.32 -0.62 -3.73 115.64 121.12 1i41 s THR 180 Ca 0.33 -0.28 -0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1i41 s THR 180 Cb -0.13 -3.83 -0.03 0.00 -1.51 0.00 0.00 72.50 67.01 1i41 s THR 180 CO 0.18 -0.62 -0.02 0.00 -2.21 0.00 0.00 174.62 171.96 1i41 s ALA 181 N -2.46 0.26 -0.15 11.08 0.00 -1.26 -1.28 121.76 127.96 1i41 s ALA 181 Ca 0.43 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1i41 s ALA 181 Cb -0.10 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1i41 s ALA 181 CO 0.39 -0.26 -0.20 0.99 0.00 0.00 0.00 175.76 176.67 1i41 s THR 182 N -2.61 1.99 -0.40 0.00 2.01 0.01 -4.94 115.64 111.70 1i41 s THR 182 Ca -0.05 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 60.89 1i41 s THR 182 Cb -0.02 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.74 1i41 s THR 182 CO -0.05 0.53 0.27 -0.69 -0.69 0.00 0.00 174.62 173.99 1i41 s VAL 183 N 1.03 5.04 0.32 3.82 1.01 -1.26 -1.91 120.40 128.46 1i41 s VAL 183 Ca -0.02 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1i41 s VAL 183 Cb -0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1i41 s VAL 183 CO -0.06 -0.29 0.13 0.27 0.00 0.00 0.00 175.10 175.15 1i41 s ILE 184 N 1.64 3.28 0.26 2.22 -4.36 -0.57 -4.84 121.20 118.83 1i41 s ILE 184 Ca 0.04 -1.68 -0.29 0.00 -0.26 0.00 0.00 60.65 58.46 1i41 s ILE 184 Cb -0.19 -3.01 -0.09 0.00 1.25 0.00 0.00 42.46 40.42 1i41 s ILE 184 CO 0.09 -0.24 0.97 -0.62 0.24 0.00 0.00 174.94 175.39 1i41 s ASP 185 N -3.82 7.51 0.25 4.36 2.15 -1.26 -1.27 116.67 124.59 1i41 s ASP 185 Ca 0.36 2.00 -0.08 0.00 0.43 0.00 0.00 52.55 55.26 1i41 s ASP 185 Cb -0.04 -2.61 0.43 0.00 -0.30 0.00 0.00 42.92 40.40 1i41 s ASP 185 CO 0.23 0.06 1.60 -0.65 -0.17 0.00 0.00 175.17 176.24 1i41 h PRO 186 N 3.91 0.04 -0.08 4.34 0.11 -1.94 -2.07 132.00 136.30 1i41 h PRO 186 Ca -0.46 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1i41 h PRO 186 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i41 h PRO 186 CO 0.67 0.02 -0.23 0.00 -0.21 0.00 0.00 178.00 178.26 1i41 h ALA 187 N 1.80 0.14 -0.03 -0.75 0.00 -1.92 -3.43 119.26 115.07 1i41 h ALA 187 Ca 0.43 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1i41 h ALA 187 Cb 0.72 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1i41 h ALA 187 CO -0.79 0.11 0.62 -3.47 0.00 0.00 0.00 179.25 175.73 1i41 n ASP 188 N -4.51 -0.64 0.22 0.00 -0.08 -0.78 -4.67 116.55 106.09 1i41 n ASP 188 Ca -0.08 -1.79 0.10 0.00 -1.51 0.00 0.00 54.79 51.51 1i41 n ASP 188 Cb 0.44 -0.98 0.42 0.00 2.34 0.00 0.00 41.12 43.34 1i41 n ASP 188 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1i41 h VAL 189 N 6.72 0.50 0.29 5.18 2.07 -1.82 -3.12 116.25 126.07 1i41 h VAL 189 Ca 0.01 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1i41 h VAL 189 Cb 0.96 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1i41 h VAL 189 CO 1.01 0.21 -0.14 1.23 0.02 0.00 0.00 177.57 179.90 1i41 h GLY 190 N 2.33 -0.41 -0.07 2.17 0.00 -1.97 -0.72 103.07 104.41 1i41 h GLY 190 Ca -0.00 0.15 0.16 0.00 0.00 0.00 0.00 47.33 47.64 1i41 h GLY 190 CO 0.03 -0.15 0.17 0.00 0.00 0.00 0.00 176.54 176.59 1i41 h ALA 191 N 0.09 0.94 0.75 3.60 0.00 -1.94 0.31 119.26 123.01 1i41 h ALA 191 Ca -0.04 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1i41 h ALA 191 Cb 0.41 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1i41 h ALA 191 CO 0.07 -0.34 -0.40 1.25 0.00 0.00 0.00 179.25 179.83 1i41 h LEU 192 N 0.27 -0.96 -1.32 0.00 5.85 -1.48 0.81 115.31 118.47 1i41 h LEU 192 Ca 0.41 0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.36 1i41 h LEU 192 Cb 0.70 0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 1i41 h LEU 192 CO -0.51 -0.65 0.60 -0.08 -0.34 0.00 0.00 178.44 177.46 1i41 h GLU 193 N -1.06 0.55 0.33 1.25 4.81 -0.04 0.19 114.58 120.62 1i41 h GLU 193 Ca -0.10 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1i41 h GLU 193 Cb 0.83 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1i41 h GLU 193 CO 0.15 0.36 -0.16 1.25 -0.73 0.00 0.00 179.01 179.88 1i41 h LEU 194 N 0.57 -0.38 -0.97 1.64 5.85 -0.00 -3.09 115.31 118.93 1i41 h LEU 194 Ca 0.50 0.01 0.26 0.00 0.84 0.00 0.00 57.88 59.49 1i41 h LEU 194 Cb 1.02 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.01 1i41 h LEU 194 CO -0.24 -0.20 0.51 0.00 -0.34 0.00 0.00 178.44 178.18 1i41 h ALA 195 N -1.64 1.71 -0.96 1.25 0.00 -0.40 0.68 119.26 119.89 1i41 h ALA 195 Ca -0.05 0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.25 1i41 h ALA 195 Cb 0.34 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1i41 h ALA 195 CO 0.08 -0.37 0.64 1.25 0.00 0.00 0.00 179.25 180.84 1i41 h LEU 196 N 0.45 0.39 0.08 0.00 7.12 -0.62 -1.98 115.31 120.74 1i41 h LEU 196 Ca 0.64 0.05 -0.36 0.00 0.13 0.00 0.00 57.88 58.34 1i41 h LEU 196 Cb 1.28 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.36 1i41 h LEU 196 CO -0.53 0.12 -2.09 0.59 -0.13 0.00 0.00 178.44 176.40 1i41 n ASN 197 N -4.52 1.84 0.00 1.25 3.02 0.21 -4.62 115.26 112.44 1i41 n ASN 197 Ca 0.22 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1i41 n ASN 197 Cb 0.80 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1i41 n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i41 n GLN 198 N -3.34 0.00 -2.51 3.52 6.02 0.14 -4.84 117.38 116.36 1i41 n GLN 198 Ca -0.33 0.39 -0.19 0.00 -0.01 0.00 0.00 57.00 56.85 1i41 n GLN 198 Cb 1.04 -1.31 0.09 0.00 1.02 0.00 0.00 30.24 31.08 1i41 n GLN 198 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1i41 n LYS 199 N -1.56 0.21 -3.43 -1.09 4.01 -0.81 -5.05 118.16 110.44 1i41 n LYS 199 Ca 0.00 -2.57 -0.44 0.00 -0.51 0.00 0.00 58.31 54.79 1i41 n LYS 199 Cb 0.00 -0.46 -0.05 0.00 -0.51 0.00 0.00 35.03 34.01 1i41 n LYS 199 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1i41 s LYS 200 N -4.66 3.16 -0.02 1.97 2.36 -1.26 -4.67 119.74 116.63 1i41 s LYS 200 Ca 0.58 -2.28 -0.30 0.00 -2.55 0.00 0.00 55.97 51.42 1i41 s LYS 200 Cb -0.04 -4.21 -0.05 0.00 -1.05 0.00 0.00 37.83 32.49 1i41 s LYS 200 CO 0.38 -1.26 1.37 0.08 1.55 0.00 0.00 175.35 177.47 1i41 s VAL 201 N 0.49 3.81 -0.04 4.02 1.01 -1.26 -4.11 120.40 124.31 1i41 s VAL 201 Ca 0.14 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.15 1i41 s VAL 201 Cb -0.17 -3.75 -0.31 0.00 0.00 0.00 0.00 36.38 32.14 1i41 s VAL 201 CO -0.05 -0.01 0.73 0.78 0.00 0.00 0.00 175.10 176.55 1i41 h ASN 202 N 7.83 0.61 -4.07 3.32 4.21 -1.52 -3.36 115.58 122.60 1i41 h ASN 202 Ca -0.37 -0.92 -0.05 0.00 1.21 0.00 0.00 56.30 56.17 1i41 h ASN 202 Cb 1.17 -0.20 -0.21 0.00 -1.12 0.00 0.00 38.32 37.96 1i41 h ASN 202 CO 0.90 1.71 0.11 -0.22 -1.29 0.00 0.00 177.43 178.64 1i41 s LEU 203 N -7.46 -0.66 -0.17 1.61 0.20 -1.24 -2.00 118.68 108.95 1i41 s LEU 203 Ca -0.15 1.35 -0.08 0.00 0.69 0.00 0.00 54.13 55.94 1i41 s LEU 203 Cb 0.05 2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 48.17 1i41 s LEU 203 CO 0.85 -0.27 0.10 0.12 -0.29 0.00 0.00 176.35 176.87 1i41 s PHE 204 N 0.24 3.38 -0.03 5.38 5.36 0.60 -1.88 117.98 131.04 1i41 s PHE 204 Ca -0.01 0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1i41 s PHE 204 Cb -0.04 -2.07 0.02 0.00 -0.34 0.00 0.00 43.02 40.59 1i41 s PHE 204 CO 0.02 0.35 -0.01 0.12 -1.46 0.00 0.00 175.22 174.23 1i41 s PHE 205 N 0.02 0.39 0.03 10.12 5.36 0.13 -0.97 117.98 133.06 1i41 s PHE 205 Ca 0.08 -0.04 -0.27 0.00 -0.96 0.00 0.00 56.93 55.74 1i41 s PHE 205 Cb -0.12 -0.44 0.09 0.00 -0.34 0.00 0.00 43.02 42.21 1i41 s PHE 205 CO 0.00 -0.13 0.78 -0.08 -1.46 0.00 0.00 175.22 174.33 1i41 s THR 206 N 0.94 0.00 -0.11 0.12 -1.32 -0.74 -3.75 115.64 110.78 1i41 s THR 206 Ca -0.10 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.34 1i41 s THR 206 Cb -0.13 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 1i41 s THR 206 CO -0.01 0.00 0.04 -1.83 -2.21 0.00 0.00 174.62 170.61 1i41 s GLU 207 N -3.01 3.24 -0.17 7.08 -1.05 -1.26 -1.13 118.70 122.41 1i41 s GLU 207 Ca 0.02 -0.33 -0.04 0.00 -0.15 0.00 0.00 54.97 54.46 1i41 s GLU 207 Cb -0.01 -2.95 0.08 0.00 -0.44 0.00 0.00 34.13 30.82 1i41 s GLU 207 CO -0.08 0.65 0.27 0.45 0.95 0.00 0.00 175.26 177.51 1i41 s SER 208 N -0.72 0.56 1.09 0.83 0.15 -1.14 -3.45 113.70 111.01 1i41 s SER 208 Ca 0.12 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.02 1i41 s SER 208 Cb -0.12 0.71 0.24 0.00 -1.71 0.00 0.00 66.02 65.14 1i41 s SER 208 CO 0.02 -0.27 1.07 -2.84 1.20 0.00 0.00 173.24 172.42 1i41 s PRO 209 N 2.42 -0.36 0.60 5.44 0.02 -1.26 -4.47 135.00 137.40 1i41 s PRO 209 Ca 0.04 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.22 1i41 s PRO 209 Cb -0.13 -1.60 0.07 0.00 0.02 0.00 0.00 34.50 32.86 1i41 s PRO 209 CO -0.11 -3.44 0.84 -0.08 -0.33 0.00 0.00 177.00 173.89 1i41 s THR 210 N -2.49 2.42 -0.08 0.99 -1.32 0.19 -4.71 115.64 110.65 1i41 s THR 210 Ca 0.68 -0.72 0.04 0.00 -1.21 0.00 0.00 61.69 60.48 1i41 s THR 210 Cb -0.25 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.04 1i41 s THR 210 CO 0.63 0.00 -0.20 0.21 -2.21 0.00 0.00 174.62 173.05 1i41 s ASN 211 N -4.57 2.55 0.00 8.08 3.04 -1.23 -1.35 114.94 121.47 1i41 s ASN 211 Ca 0.61 -0.44 0.21 0.00 0.04 0.00 0.00 52.86 53.28 1i41 s ASN 211 Cb -0.08 -1.04 0.21 0.00 -1.54 0.00 0.00 41.25 38.80 1i41 s ASN 211 CO 0.40 0.13 1.20 -0.81 -3.04 0.00 0.00 177.10 174.99 1i41 n PRO 212 N 3.48 2.02 -0.13 0.43 -0.04 -1.26 -4.51 135.00 134.99 1i41 n PRO 212 Ca -0.20 -1.84 0.02 0.00 -0.04 0.00 0.00 63.50 61.44 1i41 n PRO 212 Cb 0.52 -1.42 0.08 0.00 -0.04 0.00 0.00 33.50 32.65 1i41 n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i41 n PHE 213 N 1.22 0.31 -2.56 0.54 3.72 -1.26 -4.61 117.46 114.81 1i41 n PHE 213 Ca 0.13 -0.13 -0.02 0.00 -0.05 0.00 0.00 57.45 57.39 1i41 n PHE 213 Cb 0.54 -0.07 -0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1i41 n PHE 213 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i41 n LEU 214 N 0.03 -0.08 -4.49 4.37 4.77 -0.45 -4.76 117.00 116.38 1i41 n LEU 214 Ca 0.06 0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 56.15 1i41 n LEU 214 Cb 0.26 -1.07 0.15 0.00 -2.33 0.00 0.00 43.42 40.43 1i41 n LEU 214 CO 0.05 -0.00 0.18 0.54 -1.33 0.00 0.00 177.39 176.82 1i41 n ARG 215 N -2.56 -0.65 -4.23 3.23 5.12 -1.26 -3.86 116.66 112.46 1i41 n ARG 215 Ca -0.00 -0.14 -0.17 0.00 -1.93 0.00 0.00 57.85 55.60 1i41 n ARG 215 Cb 0.50 -2.04 -0.13 0.00 -1.16 0.00 0.00 32.46 29.63 1i41 n ARG 215 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i41 s VAL 217 N -0.83 4.09 -1.07 0.00 1.01 -1.26 -4.69 120.40 117.64 1i41 s VAL 217 Ca -0.02 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 1i41 s VAL 217 Cb -0.07 -2.78 -0.13 0.00 0.00 0.00 0.00 36.38 33.40 1i41 s VAL 217 CO 0.01 0.51 1.94 -0.67 0.00 0.00 0.00 175.10 176.89 1i41 n ASP 218 N 3.25 2.74 -0.24 3.32 -0.08 -1.26 -4.77 116.55 119.50 1i41 n ASP 218 Ca -0.17 -2.67 -0.06 0.00 -1.51 0.00 0.00 54.79 50.38 1i41 n ASP 218 Cb 0.53 -1.60 -0.06 0.00 2.34 0.00 0.00 41.12 42.33 1i41 n ASP 218 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1i41 n ILE 219 N 7.63 -0.39 -0.29 5.18 5.41 -1.26 -1.00 119.36 134.64 1i41 n ILE 219 Ca 0.45 1.91 0.03 0.00 1.00 0.00 0.00 62.75 66.14 1i41 n ILE 219 Cb 0.45 -2.41 0.10 0.00 -0.71 0.00 0.00 39.64 37.08 1i41 n ILE 219 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1i41 h GLU 220 N 0.00 -0.00 0.60 0.38 4.81 -1.85 0.39 114.58 118.90 1i41 h GLU 220 Ca 0.09 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1i41 h GLU 220 Cb 0.23 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1i41 h GLU 220 CO -0.54 -0.00 -0.29 1.25 -0.73 0.00 0.00 179.01 178.71 1i41 h LEU 221 N -0.00 -0.68 -0.54 1.64 5.85 -1.37 -2.14 115.31 118.07 1i41 h LEU 221 Ca 0.39 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.24 1i41 h LEU 221 Cb 0.60 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.70 1i41 h LEU 221 CO -0.85 -0.48 -0.20 0.58 -0.34 0.00 0.00 178.44 177.15 1i41 h VAL 222 N -0.83 0.35 -0.62 1.05 2.07 -0.67 0.68 116.25 118.28 1i41 h VAL 222 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1i41 h VAL 222 Cb 0.62 0.35 -0.12 0.00 -1.52 0.00 0.00 31.29 30.62 1i41 h VAL 222 CO 0.14 0.00 -0.19 0.28 0.02 0.00 0.00 177.57 177.82 1i41 h SER 223 N -0.08 -0.67 0.17 0.57 0.02 -0.24 -0.37 113.55 112.95 1i41 h SER 223 Ca 0.25 0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1i41 h SER 223 Cb 0.47 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 1i41 h SER 223 CO -0.59 -0.23 -0.25 0.50 -1.14 0.00 0.00 176.83 175.12 1i41 h LYS 224 N -0.03 -0.47 0.36 3.45 3.64 -0.20 -1.72 116.57 121.60 1i41 h LYS 224 Ca 0.29 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1i41 h LYS 224 Cb 0.48 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1i41 h LYS 224 CO -0.65 -0.31 -0.47 -0.07 -2.27 0.00 0.00 179.45 175.67 1i41 h LEU 225 N -0.49 -1.33 -0.09 5.20 3.38 -0.35 -2.60 115.31 119.03 1i41 h LEU 225 Ca 0.02 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1i41 h LEU 225 Cb 0.49 0.46 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1i41 h LEU 225 CO -0.11 -0.60 -0.36 0.00 0.09 0.00 0.00 178.44 177.47 1i41 h HIS 227 N -0.46 0.00 0.00 0.00 3.86 -1.26 0.64 115.15 117.94 1i41 h HIS 227 Ca 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1i41 h HIS 227 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1i41 h HIS 227 CO -0.42 0.00 -0.33 1.49 0.86 0.00 0.00 177.93 179.54 1i41 h GLU 228 N 0.00 0.00 -0.42 2.45 4.81 -0.80 -2.77 114.58 117.86 1i41 h GLU 228 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1i41 h GLU 228 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1i41 h GLU 228 CO -0.00 0.33 0.00 1.63 -0.73 0.00 0.00 179.01 180.23 1i41 n LYS 229 N -3.60 3.08 -0.93 1.92 4.76 0.22 -4.96 118.16 118.65 1i41 n LYS 229 Ca -0.01 -2.49 0.00 0.00 -2.87 0.00 0.00 58.31 52.95 1i41 n LYS 229 Cb 0.45 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1i41 n LYS 229 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i41 n GLY 230 N 0.47 0.85 3.78 0.72 0.00 -0.84 -4.87 105.19 105.30 1i41 n GLY 230 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1i41 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 231 N -3.53 2.58 0.11 4.61 0.00 -0.94 -4.93 121.76 119.66 1i41 s ALA 231 Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1i41 s ALA 231 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1i41 s ALA 231 CO 0.00 -1.09 0.23 -0.51 0.00 0.00 0.00 175.76 174.39 1i41 s LEU 232 N -4.71 4.27 -0.08 0.00 1.43 -0.84 -3.89 118.68 114.84 1i41 s LEU 232 Ca 0.66 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1i41 s LEU 232 Cb -0.19 -2.87 -0.00 0.00 0.03 0.00 0.00 46.19 43.16 1i41 s LEU 232 CO 0.40 0.11 -0.23 -0.69 0.23 0.00 0.00 176.35 176.16 1i41 s VAL 233 N -1.62 1.97 -0.09 -1.59 1.01 -1.26 0.22 120.40 119.05 1i41 s VAL 233 Ca 0.34 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1i41 s VAL 233 Cb -0.12 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1i41 s VAL 233 CO 0.27 0.54 -0.08 0.00 0.00 0.00 0.00 175.10 175.83 1i41 s ILE 235 N 1.29 2.81 -1.01 0.00 -1.09 -0.05 -1.78 121.20 121.37 1i41 s ILE 235 Ca -0.03 -0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 57.49 1i41 s ILE 235 Cb -0.14 -2.16 0.18 0.00 -1.58 0.00 0.00 42.46 38.76 1i41 s ILE 235 CO -0.03 0.53 1.13 -0.62 -1.23 0.00 0.00 174.94 174.72 1i41 s ASP 236 N 0.39 6.88 -0.05 3.58 -1.08 -0.28 -1.60 116.67 124.50 1i41 s ASP 236 Ca -0.12 -2.66 0.01 0.00 -0.52 0.00 0.00 52.55 49.26 1i41 s ASP 236 Cb -0.16 -2.33 0.09 0.00 -1.46 0.00 0.00 42.92 39.05 1i41 s ASP 236 CO 0.06 -0.76 1.00 0.61 0.52 0.00 0.00 175.17 176.59 1i41 n GLY 237 N 4.41 2.15 0.40 2.66 0.00 -0.96 -2.91 105.19 110.94 1i41 n GLY 237 Ca 0.25 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1i41 n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i41 h THR 238 N 0.22 0.00 -0.85 2.61 2.02 -1.87 0.23 112.91 115.27 1i41 h THR 238 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.27 1i41 h THR 238 Cb 1.09 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1i41 h THR 238 CO 0.12 0.00 0.56 -0.26 0.37 0.00 0.00 175.52 176.31 1i41 h PHE 239 N -0.32 1.02 0.47 3.16 0.04 -1.84 -3.11 116.94 116.37 1i41 h PHE 239 Ca 0.07 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1i41 h PHE 239 Cb 0.51 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1i41 h PHE 239 CO -0.74 0.60 -0.23 0.00 -0.60 0.00 0.00 178.31 177.34 1i41 h ALA 240 N 1.50 -0.63 0.00 2.45 0.00 -1.29 -3.42 119.26 117.87 1i41 h ALA 240 Ca 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i41 h ALA 240 Cb 0.03 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1i41 h ALA 240 CO -0.10 -0.74 0.00 2.41 0.00 0.00 0.00 179.25 180.82 1i41 n THR 241 N -5.28 -0.50 0.13 0.00 -1.04 0.65 -3.83 114.28 104.42 1i41 n THR 241 Ca -0.11 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.98 1i41 n THR 241 Cb 0.30 0.00 0.42 0.00 -1.82 0.00 0.00 70.33 69.23 1i41 n THR 241 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1i41 n PRO 242 N 0.01 0.10 0.06 -2.82 -0.04 -1.26 -1.83 135.00 129.21 1i41 n PRO 242 Ca 0.00 0.58 -0.18 0.00 -0.04 0.00 0.00 63.50 63.86 1i41 n PRO 242 Cb 0.00 -1.92 -0.14 0.00 -0.04 0.00 0.00 33.50 31.40 1i41 n PRO 242 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1i41 h LEU 243 N 0.00 0.42 -0.30 1.53 3.38 -1.93 -3.35 115.31 115.05 1i41 h LEU 243 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1i41 h LEU 243 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1i41 h LEU 243 CO 0.00 1.53 -0.06 0.59 0.09 0.00 0.00 178.44 180.59 1i41 n ASN 244 N -3.46 0.53 -3.65 -0.43 3.02 -0.76 -4.80 115.26 105.71 1i41 n ASN 244 Ca -0.19 -0.83 -0.02 0.00 -0.03 0.00 0.00 54.58 53.50 1i41 n ASN 244 Cb 1.05 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 40.14 1i41 n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i41 s GLN 245 N -2.27 0.02 -0.62 3.52 -2.07 -1.19 -1.24 119.66 115.82 1i41 s GLN 245 Ca 0.35 -0.00 0.05 0.00 -1.82 0.00 0.00 55.36 53.94 1i41 s GLN 245 Cb 0.21 0.01 0.18 0.00 -1.09 0.00 0.00 33.01 32.32 1i41 s GLN 245 CO 0.42 -0.01 0.48 1.63 -1.32 0.00 0.00 175.29 176.50 1i41 n LYS 246 N 0.22 1.45 -0.34 9.60 4.76 -1.26 -4.37 118.16 128.20 1i41 n LYS 246 Ca 0.03 -4.13 0.20 0.00 -2.87 0.00 0.00 58.31 51.54 1i41 n LYS 246 Cb 0.57 -2.09 0.43 0.00 -1.84 0.00 0.00 35.03 32.10 1i41 n LYS 246 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i41 h ALA 247 N 5.28 1.92 -0.83 7.82 0.00 -1.94 0.36 119.26 131.88 1i41 h ALA 247 Ca 0.18 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1i41 h ALA 247 Cb 0.79 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1i41 h ALA 247 CO 0.63 -0.42 0.43 -0.07 0.00 0.00 0.00 179.25 179.83 1i41 h LEU 248 N 0.49 1.05 -0.99 0.00 3.38 -1.86 -0.78 115.31 116.61 1i41 h LEU 248 Ca 0.66 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.41 1i41 h LEU 248 Cb 1.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1i41 h LEU 248 CO -0.47 0.86 -0.42 0.00 0.09 0.00 0.00 178.44 178.50 1i41 h ALA 249 N 1.23 1.15 0.00 1.53 0.00 -0.62 -2.17 119.26 120.38 1i41 h ALA 249 Ca 0.29 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1i41 h ALA 249 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1i41 h ALA 249 CO -0.04 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1i41 n LEU 250 N -4.02 0.00 0.00 0.00 4.77 -0.44 -4.86 117.00 112.45 1i41 n LEU 250 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1i41 n LEU 250 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1i41 n LEU 250 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1i41 n GLY 251 N 0.67 2.25 3.48 -0.72 0.00 -0.82 -3.31 105.19 106.75 1i41 n GLY 251 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1i41 n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 252 N -0.46 -1.09 -0.01 4.61 0.00 -0.37 -4.93 120.51 118.26 1i41 n ALA 252 Ca 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1i41 n ALA 252 Cb 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 1i41 n ALA 252 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i41 h ASP 253 N 0.62 0.23 -4.18 0.00 3.32 -1.64 -3.40 116.42 111.36 1i41 h ASP 253 Ca -0.43 -0.97 -0.32 0.00 0.02 0.00 0.00 57.03 55.33 1i41 h ASP 253 Cb 1.39 -0.07 -0.26 0.00 0.22 0.00 0.00 39.33 40.60 1i41 h ASP 253 CO 0.50 1.20 -0.75 -0.76 -1.72 0.00 0.00 179.24 177.71 1i41 s LEU 254 N -8.04 2.09 -0.07 1.55 1.43 -0.35 -4.16 118.68 111.13 1i41 s LEU 254 Ca -0.17 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1i41 s LEU 254 Cb -0.01 -0.26 0.01 0.00 0.03 0.00 0.00 46.19 45.96 1i41 s LEU 254 CO 0.76 -0.01 -0.13 0.54 0.23 0.00 0.00 176.35 177.73 1i41 s VAL 255 N -0.53 1.24 0.11 -1.59 0.11 -0.61 -0.87 120.40 118.26 1i41 s VAL 255 Ca -0.01 -0.53 0.09 0.00 -2.93 0.00 0.00 61.98 58.59 1i41 s VAL 255 Cb -0.05 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1i41 s VAL 255 CO 0.00 0.38 -0.22 -1.48 -3.33 0.00 0.00 175.10 170.45 1i41 s LEU 256 N 0.72 2.30 0.17 2.54 0.05 -0.63 -0.73 118.68 123.10 1i41 s LEU 256 Ca -0.13 -0.70 0.03 0.00 0.05 0.00 0.00 54.13 53.38 1i41 s LEU 256 Cb -0.16 -0.92 -0.05 0.00 -2.05 0.00 0.00 46.19 43.02 1i41 s LEU 256 CO 0.03 0.07 -0.03 -1.00 -0.55 0.00 0.00 176.35 174.87 1i41 s HIS 257 N -1.16 1.24 -0.76 3.48 3.76 0.18 -2.25 115.29 119.77 1i41 s HIS 257 Ca 0.07 -0.93 -0.04 0.00 -0.15 0.00 0.00 55.06 54.01 1i41 s HIS 257 Cb -0.10 -0.69 0.19 0.00 1.11 0.00 0.00 32.58 33.09 1i41 s HIS 257 CO 0.04 -0.11 0.61 0.45 -0.85 0.00 0.00 174.74 174.88 1i41 s SER 258 N -3.18 5.69 0.21 1.40 0.15 -1.26 -2.53 113.70 114.19 1i41 s SER 258 Ca 0.22 -3.20 0.07 0.00 0.70 0.00 0.00 55.95 53.74 1i41 s SER 258 Cb 0.05 -1.91 0.38 0.00 -1.71 0.00 0.00 66.02 62.82 1i41 s SER 258 CO 0.03 -0.31 1.03 0.00 1.20 0.00 0.00 173.24 175.19 1i41 n ALA 259 N 3.06 0.49 0.16 5.45 0.00 -0.61 -0.78 120.51 128.28 1i41 n ALA 259 Ca 0.14 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.75 1i41 n ALA 259 Cb 0.38 -0.58 0.62 0.00 0.00 0.00 0.00 19.45 19.87 1i41 n ALA 259 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1i41 h THR 260 N 0.00 0.95 0.00 0.00 2.02 -1.75 -1.44 112.91 112.69 1i41 h THR 260 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1i41 h THR 260 Cb 0.69 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1i41 h THR 260 CO 0.00 0.02 0.00 0.29 0.37 0.00 0.00 175.52 176.20 1i41 n LYS 261 N -4.50 0.00 -0.02 6.66 4.76 0.04 -4.55 118.16 120.56 1i41 n LYS 261 Ca 0.01 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.37 1i41 n LYS 261 Cb 0.21 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.33 1i41 n LYS 261 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1i41 h PHE 262 N 0.00 -0.07 -0.76 2.13 0.04 -1.74 -0.00 116.94 116.53 1i41 h PHE 262 Ca 0.00 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.91 1i41 h PHE 262 Cb 0.00 0.02 -0.14 0.00 2.20 0.00 0.00 35.95 38.03 1i41 h PHE 262 CO 0.00 0.42 -0.30 -0.07 -0.60 0.00 0.00 178.31 177.76 1i41 h LEU 263 N -0.96 -1.07 -0.05 1.54 3.38 -1.85 0.24 115.31 116.55 1i41 h LEU 263 Ca -0.01 0.25 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 1i41 h LEU 263 Cb 0.52 0.59 0.01 0.00 0.09 0.00 0.00 40.66 41.87 1i41 h LEU 263 CO 0.01 -0.29 -1.06 1.23 0.09 0.00 0.00 178.44 178.43 1i41 h GLY 264 N -0.06 0.56 -4.62 0.83 0.00 -1.41 -3.23 103.07 95.14 1i41 h GLY 264 Ca 0.32 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 1i41 h GLY 264 CO -0.81 0.94 -0.04 0.61 0.00 0.00 0.00 176.54 177.24 1i41 n GLY 265 N 1.13 -0.45 0.09 4.60 0.00 0.86 -4.59 105.19 106.82 1i41 n GLY 265 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1i41 n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i41 n HIS 266 N -2.51 0.00 -4.12 1.61 8.25 -1.26 -2.43 115.22 114.75 1i41 n HIS 266 Ca -0.02 -0.17 -0.33 0.00 -0.26 0.00 0.00 57.72 56.94 1i41 n HIS 266 Cb 0.48 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 1i41 n HIS 266 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i41 n ASN 267 N -0.20 -2.66 -0.46 0.41 3.02 -1.26 -4.84 115.26 109.27 1i41 n ASN 267 Ca 0.01 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1i41 n ASN 267 Cb 0.49 -2.94 0.00 0.00 -0.61 0.00 0.00 39.78 36.71 1i41 n ASN 267 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1i41 n ASP 268 N -2.76 0.00 -3.59 6.41 5.75 -1.26 -5.10 116.55 116.00 1i41 n ASP 268 Ca -0.03 -1.84 -0.12 0.00 -0.01 0.00 0.00 54.79 52.79 1i41 n ASP 268 Cb 0.55 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.41 1i41 n ASP 268 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i41 s VAL 269 N 0.00 0.00 0.06 2.12 0.11 -1.26 -5.12 120.40 116.31 1i41 s VAL 269 Ca 0.00 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1i41 s VAL 269 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1i41 s VAL 269 CO 0.00 0.00 -0.07 -0.76 -3.33 0.00 0.00 175.10 170.94 1i41 s LEU 270 N -0.57 3.16 -0.29 2.54 1.43 -1.26 -4.33 118.68 119.35 1i41 s LEU 270 Ca -0.02 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.60 1i41 s LEU 270 Cb -0.02 -1.88 0.15 0.00 0.03 0.00 0.00 46.19 44.47 1i41 s LEU 270 CO 0.01 0.23 1.17 0.00 0.23 0.00 0.00 176.35 177.99 1i41 s ALA 271 N -1.13 -2.12 0.48 4.21 0.00 -1.15 -4.64 121.76 117.41 1i41 s ALA 271 Ca 0.20 1.85 0.01 0.00 0.00 0.00 0.00 51.96 54.03 1i41 s ALA 271 Cb -0.11 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.41 1i41 s ALA 271 CO 0.12 -0.21 0.70 0.20 0.00 0.00 0.00 175.76 176.57 1i41 s GLY 272 N 0.33 1.68 -0.30 0.00 0.00 -1.08 -1.57 107.32 106.38 1i41 s GLY 272 Ca 0.03 -1.19 -0.15 0.00 0.00 0.00 0.00 44.72 43.41 1i41 s GLY 272 CO -0.10 -0.98 0.99 0.00 0.00 0.00 0.00 173.10 173.01 1i41 s ILE 274 N 2.09 0.86 0.06 0.00 1.01 -0.47 -0.65 121.20 124.09 1i41 s ILE 274 Ca -0.05 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.43 1i41 s ILE 274 Cb -0.05 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1i41 s ILE 274 CO -0.17 0.31 -0.26 -0.44 0.00 0.00 0.00 174.94 174.39 1i41 s SER 275 N 1.16 3.12 0.00 3.58 0.01 0.09 0.59 113.70 122.25 1i41 s SER 275 Ca -0.06 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1i41 s SER 275 Cb -0.14 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.82 1i41 s SER 275 CO -0.02 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1i41 n GLY 276 N 1.66 -1.13 3.76 3.44 0.00 -0.46 -1.57 105.19 110.88 1i41 n GLY 276 Ca -0.17 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 1i41 n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i41 s PRO 277 N -0.61 3.02 0.03 1.61 0.04 -1.26 -1.90 135.00 135.94 1i41 s PRO 277 Ca 0.00 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1i41 s PRO 277 Cb 0.00 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1i41 s PRO 277 CO 0.00 -1.15 1.21 1.25 0.04 0.00 0.00 177.00 178.35 1i41 h LEU 278 N 0.91 -0.51 -1.18 -3.56 6.46 -1.88 -0.93 115.31 114.61 1i41 h LEU 278 Ca -0.50 0.04 0.34 0.00 -0.12 0.00 0.00 57.88 57.64 1i41 h LEU 278 Cb 1.29 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 41.34 1i41 h LEU 278 CO 0.55 -0.26 1.19 1.17 -0.62 0.00 0.00 178.44 180.47 1i41 n LYS 279 N -3.47 0.01 -0.03 1.25 4.81 -1.26 -1.20 118.16 118.28 1i41 n LYS 279 Ca -0.05 0.96 -0.02 0.00 -0.87 0.00 0.00 58.31 58.34 1i41 n LYS 279 Cb 0.18 -2.35 -0.01 0.00 0.02 0.00 0.00 35.03 32.87 1i41 n LYS 279 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1i41 n LEU 280 N -3.27 0.62 -0.31 3.14 4.77 -0.97 -4.21 117.00 116.77 1i41 n LEU 280 Ca 0.27 0.29 0.15 0.00 -0.03 0.00 0.00 56.01 56.68 1i41 n LEU 280 Cb 1.54 -0.61 0.33 0.00 -2.33 0.00 0.00 43.42 42.35 1i41 n LEU 280 CO 0.27 -0.47 1.02 1.62 -1.33 0.00 0.00 177.39 178.49 1i41 h VAL 281 N -0.33 0.39 -0.71 4.08 3.04 -0.54 0.79 116.25 122.97 1i41 h VAL 281 Ca 0.00 -0.11 0.09 0.00 -1.01 0.00 0.00 66.70 65.67 1i41 h VAL 281 Cb 0.22 0.04 -0.07 0.00 -2.01 0.00 0.00 31.29 29.48 1i41 h VAL 281 CO 0.00 0.06 0.35 0.77 -1.01 0.00 0.00 177.57 177.74 1i41 h SER 282 N 0.32 0.47 -0.40 3.17 4.64 -1.39 0.17 113.55 120.54 1i41 h SER 282 Ca 0.58 0.06 0.12 0.00 -0.47 0.00 0.00 61.79 62.08 1i41 h SER 282 Cb 1.17 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1i41 h SER 282 CO -0.58 0.27 0.31 -0.33 -0.87 0.00 0.00 176.83 175.63 1i41 h GLU 283 N 0.61 0.00 0.13 4.77 4.39 -1.01 -1.22 114.58 122.25 1i41 h GLU 283 Ca 0.35 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.81 1i41 h GLU 283 Cb 0.35 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1i41 h GLU 283 CO -0.26 0.00 -1.15 0.82 -1.16 0.00 0.00 179.01 177.26 1i41 h ILE 284 N 0.00 1.25 -0.92 3.13 2.04 -0.69 -3.28 117.51 119.04 1i41 h ILE 284 Ca 0.19 -2.47 0.16 0.00 1.00 0.00 0.00 64.86 63.75 1i41 h ILE 284 Cb 0.81 2.93 -0.08 0.00 -0.74 0.00 0.00 36.82 39.75 1i41 h ILE 284 CO -0.00 0.71 0.59 -0.09 0.00 0.00 0.00 178.15 179.35 1i41 h ARG 285 N -0.33 0.63 0.70 2.37 2.43 -0.05 0.22 114.38 120.36 1i41 h ARG 285 Ca -0.23 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 1i41 h ARG 285 Cb 1.71 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 31.13 1i41 h ARG 285 CO 0.10 0.42 -0.34 -0.91 -1.51 0.00 0.00 179.97 177.73 1i41 h ASN 286 N 0.65 -0.81 -0.93 -3.80 2.35 -1.36 0.84 115.58 112.52 1i41 h ASN 286 Ca 0.48 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 56.32 1i41 h ASN 286 Cb 0.84 0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.36 1i41 h ASN 286 CO -0.23 -0.58 0.60 0.25 -1.65 0.00 0.00 177.43 175.83 1i41 h LEU 287 N -0.95 0.94 -1.62 1.61 5.85 -1.40 -0.10 115.31 119.64 1i41 h LEU 287 Ca -0.10 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1i41 h LEU 287 Cb 0.73 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1i41 h LEU 287 CO 0.16 0.60 0.30 -0.74 -0.34 0.00 0.00 178.44 178.42 1i41 h HIS 288 N 1.07 0.48 0.00 1.25 2.76 0.03 -0.06 115.15 120.68 1i41 h HIS 288 Ca 0.40 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 1i41 h HIS 288 Cb 0.19 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1i41 h HIS 288 CO -0.00 0.28 0.00 0.72 -1.30 0.00 0.00 177.93 177.63 1i41 n HIS 289 N -4.48 0.00 -0.04 5.26 8.25 0.23 -2.18 115.22 122.26 1i41 n HIS 289 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 1i41 n HIS 289 Cb 0.14 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 1i41 n HIS 289 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1i41 n ILE 290 N -1.18 0.55 0.15 1.59 5.41 -0.10 -4.55 119.36 121.23 1i41 n ILE 290 Ca 0.07 -0.08 0.09 0.00 1.00 0.00 0.00 62.75 63.83 1i41 n ILE 290 Cb 0.07 -1.64 0.48 0.00 -0.71 0.00 0.00 39.64 37.85 1i41 n ILE 290 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1i41 n LEU 291 N -3.43 0.47 -3.68 1.39 4.77 -0.82 -4.87 117.00 110.83 1i41 n LEU 291 Ca -0.16 0.71 -0.31 0.00 -0.03 0.00 0.00 56.01 56.22 1i41 n LEU 291 Cb 0.58 -0.76 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1i41 n LEU 291 CO 0.01 -0.85 -0.08 0.61 -1.33 0.00 0.00 177.39 175.76 1i41 n GLY 292 N -1.25 -0.95 1.80 -0.72 0.00 -0.93 -4.90 105.19 98.23 1i41 n GLY 292 Ca -0.01 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 1i41 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 293 N -1.68 4.68 3.45 -0.02 0.00 -1.26 -5.03 105.19 105.33 1i41 n GLY 293 Ca -0.10 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1i41 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 n ALA 294 N -1.14 -1.44 -2.77 4.61 0.00 -1.26 -1.03 120.51 117.47 1i41 n ALA 294 Ca 0.49 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.65 1i41 n ALA 294 Cb 1.41 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 1i41 n ALA 294 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i41 s LEU 295 N 1.60 4.33 0.32 0.00 2.96 -1.26 -4.40 118.68 122.23 1i41 s LEU 295 Ca 0.65 0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 54.75 1i41 s LEU 295 Cb -0.54 -2.19 -0.10 0.00 0.50 0.00 0.00 46.19 43.87 1i41 s LEU 295 CO 0.57 0.29 1.20 0.21 -1.32 0.00 0.00 176.35 177.30 1i41 s ASN 296 N -0.45 6.95 0.14 3.68 3.84 -1.26 -4.89 114.94 122.95 1i41 s ASN 296 Ca 0.15 2.46 -0.27 0.00 0.21 0.00 0.00 52.86 55.41 1i41 s ASN 296 Cb -0.12 -2.63 -0.02 0.00 -0.55 0.00 0.00 41.25 37.92 1i41 s ASN 296 CO 0.04 -0.38 1.59 -0.65 -2.79 0.00 0.00 177.10 174.91 1i41 h PRO 297 N 3.46 -0.38 -0.89 0.43 0.11 -1.97 -0.79 132.00 131.97 1i41 h PRO 297 Ca -0.48 0.03 0.24 0.00 0.11 0.00 0.00 66.00 65.90 1i41 h PRO 297 Cb 1.22 0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.28 1i41 h PRO 297 CO 0.66 -0.26 0.28 -0.91 -0.21 0.00 0.00 178.00 177.56 1i41 h ASN 298 N -0.40 0.07 0.27 -2.05 2.35 -1.92 0.28 115.58 114.18 1i41 h ASN 298 Ca 0.11 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1i41 h ASN 298 Cb 0.58 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1i41 h ASN 298 CO -0.43 -0.15 -0.13 0.00 -1.65 0.00 0.00 177.43 175.08 1i41 h ALA 299 N 1.79 -0.36 -0.32 -0.83 0.00 -1.57 -2.38 119.26 115.58 1i41 h ALA 299 Ca 0.57 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.44 1i41 h ALA 299 Cb 1.17 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1i41 h ALA 299 CO -0.65 -0.67 -0.42 0.00 0.00 0.00 0.00 179.25 177.51 1i41 h ALA 300 N 0.30 -0.46 -0.21 0.00 0.00 0.58 -2.10 119.26 117.36 1i41 h ALA 300 Ca -0.04 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1i41 h ALA 300 Cb 0.32 0.85 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1i41 h ALA 300 CO 0.06 -0.87 -0.32 -0.92 0.00 0.00 0.00 179.25 177.19 1i41 h TYR 301 N -0.37 -0.89 -1.13 0.00 3.20 -0.96 0.35 116.97 117.16 1i41 h TYR 301 Ca 0.12 0.04 0.32 0.00 3.14 0.00 0.00 58.73 62.35 1i41 h TYR 301 Cb 0.59 0.42 -0.07 0.00 1.54 0.00 0.00 36.73 39.22 1i41 h TYR 301 CO -0.57 -0.39 0.78 -0.07 -1.64 0.00 0.00 178.16 176.27 1i41 h LEU 302 N -0.35 0.18 0.02 2.82 3.38 -0.86 0.39 115.31 120.89 1i41 h LEU 302 Ca 0.12 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1i41 h LEU 302 Cb 0.54 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1i41 h LEU 302 CO -0.41 0.02 -0.01 0.40 0.09 0.00 0.00 178.44 178.54 1i41 h ILE 303 N 0.15 1.46 -0.91 1.22 5.03 -0.42 0.22 117.51 124.26 1i41 h ILE 303 Ca 0.59 -1.59 0.15 0.00 -0.12 0.00 0.00 64.86 63.88 1i41 h ILE 303 Cb 1.99 2.51 -0.10 0.00 -3.03 0.00 0.00 36.82 38.20 1i41 h ILE 303 CO -0.13 0.40 0.51 0.40 -0.68 0.00 0.00 178.15 178.65 1i41 h ILE 304 N -0.73 0.76 -0.36 -0.67 2.04 0.65 0.64 117.51 119.84 1i41 h ILE 304 Ca -0.00 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1i41 h ILE 304 Cb 0.68 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1i41 h ILE 304 CO 0.00 0.13 -0.03 -0.09 0.00 0.00 0.00 178.15 178.17 1i41 h ARG 305 N 0.73 0.65 -0.77 2.37 2.43 -0.39 -2.57 114.38 116.82 1i41 h ARG 305 Ca 0.50 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1i41 h ARG 305 Cb 0.68 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1i41 h ARG 305 CO -0.35 0.78 0.49 0.78 -1.51 0.00 0.00 179.97 180.16 1i41 h GLY 306 N 0.46 1.10 1.96 2.80 0.00 0.15 -1.64 103.07 107.91 1i41 h GLY 306 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1i41 h GLY 306 CO 0.02 0.43 0.00 1.03 0.00 0.00 0.00 176.54 178.02 1i41 n MET 307 N -4.52 0.02 0.31 4.80 2.81 0.19 -2.48 117.12 118.26 1i41 n MET 307 Ca 0.07 0.22 0.21 0.00 -1.81 0.00 0.00 57.70 56.39 1i41 n MET 307 Cb 0.04 -1.50 1.02 0.00 -0.71 0.00 0.00 33.22 32.06 1i41 n MET 307 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1i41 h LYS 308 N 0.00 0.00 -0.61 0.03 1.79 -0.89 -2.37 116.57 114.52 1i41 h LYS 308 Ca 0.00 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.07 1i41 h LYS 308 Cb 0.26 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.50 1i41 h LYS 308 CO 0.00 0.00 -0.97 0.25 -1.08 0.00 0.00 179.45 177.65 1i41 n THR 309 N -3.07 1.90 0.31 -0.16 -2.24 -1.04 -4.74 114.28 105.24 1i41 n THR 309 Ca -0.02 -3.59 -0.12 0.00 -2.27 0.00 0.00 64.05 58.06 1i41 n THR 309 Cb 0.16 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1i41 n THR 309 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i41 h LEU 310 N 2.41 -0.68 -0.24 3.22 5.85 -1.52 -2.73 115.31 121.63 1i41 h LEU 310 Ca 0.12 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1i41 h LEU 310 Cb 1.39 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.53 1i41 h LEU 310 CO 0.48 -0.41 -0.54 1.12 -0.34 0.00 0.00 178.44 178.74 1i41 h HIS 311 N -0.93 -1.62 -0.83 1.25 2.07 -1.91 -1.12 115.15 112.07 1i41 h HIS 311 Ca -0.08 0.07 0.15 0.00 -2.85 0.00 0.00 60.37 57.66 1i41 h HIS 311 Cb 0.61 0.74 -0.15 0.00 2.57 0.00 0.00 27.41 31.18 1i41 h HIS 311 CO 0.05 -0.52 -0.30 -0.07 -3.07 0.00 0.00 177.93 174.02 1i41 h LEU 312 N -0.51 -1.09 0.16 6.12 3.38 -1.94 0.17 115.31 121.61 1i41 h LEU 312 Ca 0.05 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1i41 h LEU 312 Cb 0.65 0.61 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1i41 h LEU 312 CO -0.50 -0.29 -0.08 0.03 0.09 0.00 0.00 178.44 177.69 1i41 h ARG 313 N -0.05 -0.21 0.46 1.13 3.08 -1.04 -2.80 114.38 114.95 1i41 h ARG 313 Ca 0.34 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1i41 h ARG 313 Cb 0.60 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1i41 h ARG 313 CO -0.86 -0.04 -0.48 0.28 -1.07 0.00 0.00 179.97 177.79 1i41 h VAL 314 N -0.34 0.05 -0.83 2.04 2.07 -0.27 -1.31 116.25 117.67 1i41 h VAL 314 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1i41 h VAL 314 Cb 0.27 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 29.99 1i41 h VAL 314 CO 0.04 0.00 -0.49 0.00 0.02 0.00 0.00 177.57 177.14 1i41 n GLN 315 N -5.55 -0.36 0.00 1.57 6.02 0.52 0.11 117.38 119.69 1i41 n GLN 315 Ca -0.11 1.25 -0.10 0.00 -0.01 0.00 0.00 57.00 58.03 1i41 n GLN 315 Cb 0.45 -1.84 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 1i41 n GLN 315 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1i41 h GLN 316 N 0.00 -0.04 -0.51 -1.09 5.75 -1.28 -2.55 115.11 115.39 1i41 h GLN 316 Ca 0.13 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1i41 h GLN 316 Cb 0.34 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 1i41 h GLN 316 CO -0.78 -0.02 0.29 1.96 -2.65 0.00 0.00 178.83 177.63 1i41 h GLN 317 N -0.04 0.71 -0.93 1.69 4.20 0.44 -1.44 115.11 119.74 1i41 h GLN 317 Ca 0.06 -0.08 0.23 0.00 0.06 0.00 0.00 58.65 58.92 1i41 h GLN 317 Cb 0.12 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 1i41 h GLN 317 CO -0.13 0.54 0.63 -0.91 -0.67 0.00 0.00 178.83 178.29 1i41 h ASN 318 N 0.68 0.31 0.00 1.46 2.35 0.11 -1.56 115.58 118.94 1i41 h ASN 318 Ca 0.18 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1i41 h ASN 318 Cb 0.03 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1i41 h ASN 318 CO -0.03 0.11 0.00 -1.20 -1.65 0.00 0.00 177.43 174.66 1i41 n SER 319 N -4.47 0.00 -0.19 5.81 7.64 -0.75 -3.26 113.62 118.40 1i41 n SER 319 Ca 0.20 0.31 -0.01 0.00 1.01 0.00 0.00 58.87 60.38 1i41 n SER 319 Cb 0.80 -0.27 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1i41 n SER 319 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i41 n THR 320 N -1.32 -0.27 0.01 0.44 -1.04 -0.62 -0.57 114.28 110.92 1i41 n THR 320 Ca 0.00 1.17 -0.01 0.00 -2.04 0.00 0.00 64.05 63.17 1i41 n THR 320 Cb 0.00 -1.54 -0.01 0.00 -1.82 0.00 0.00 70.33 66.96 1i41 n THR 320 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i41 h ALA 321 N 0.67 -0.67 -0.54 2.41 0.00 -1.45 0.36 119.26 120.04 1i41 h ALA 321 Ca 0.17 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1i41 h ALA 321 Cb 0.30 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1i41 h ALA 321 CO -0.50 -0.67 -0.38 1.25 0.00 0.00 0.00 179.25 178.95 1i41 h LEU 322 N -0.05 -1.37 -0.42 0.00 5.85 -0.82 1.17 115.31 119.67 1i41 h LEU 322 Ca -0.00 0.20 0.09 0.00 0.84 0.00 0.00 57.88 59.01 1i41 h LEU 322 Cb 0.05 0.59 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 1i41 h LEU 322 CO -0.01 -0.19 -0.22 0.03 -0.34 0.00 0.00 178.44 177.71 1i41 h ARG 323 N -0.08 -0.13 -0.72 1.25 3.08 -1.16 0.11 114.38 116.73 1i41 h ARG 323 Ca 0.09 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1i41 h ARG 323 Cb 0.31 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1i41 h ARG 323 CO -0.55 -0.09 0.48 0.52 -1.07 0.00 0.00 179.97 179.26 1i41 h MET 324 N -0.14 0.93 0.26 0.04 2.86 0.14 -2.03 114.93 116.99 1i41 h MET 324 Ca 0.20 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1i41 h MET 324 Cb 0.45 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1i41 h MET 324 CO -0.51 0.62 -0.21 0.00 1.06 0.00 0.00 176.91 177.87 1i41 h ALA 325 N 1.55 -0.97 -0.70 6.32 0.00 0.39 0.08 119.26 125.93 1i41 h ALA 325 Ca 0.27 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1i41 h ALA 325 Cb -0.09 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 17.98 1i41 h ALA 325 CO -0.06 -0.97 -0.43 0.93 0.00 0.00 0.00 179.25 178.72 1i41 h GLU 326 N -0.46 -0.15 -0.83 0.00 5.08 -1.11 0.70 114.58 117.82 1i41 h GLU 326 Ca -0.03 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.54 1i41 h GLU 326 Cb 0.38 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 1i41 h GLU 326 CO -0.00 -0.10 0.22 0.82 -1.00 0.00 0.00 179.01 178.95 1i41 h ILE 327 N -0.15 0.39 -0.23 3.13 2.04 -1.17 -0.67 117.51 120.85 1i41 h ILE 327 Ca 0.22 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 1i41 h ILE 327 Cb 0.55 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1i41 h ILE 327 CO -0.77 0.04 0.04 -0.07 0.00 0.00 0.00 178.15 177.40 1i41 h LEU 328 N 0.24 0.37 -0.63 1.44 3.38 0.24 -2.16 115.31 118.18 1i41 h LEU 328 Ca 0.50 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 58.32 1i41 h LEU 328 Cb 0.96 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1i41 h LEU 328 CO -0.60 0.52 0.24 -0.08 0.09 0.00 0.00 178.44 178.61 1i41 h GLU 329 N 0.19 0.41 -0.38 1.13 4.81 0.56 -0.96 114.58 120.34 1i41 h GLU 329 Ca 0.07 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1i41 h GLU 329 Cb 0.31 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1i41 h GLU 329 CO 0.00 0.27 -0.02 0.00 -0.73 0.00 0.00 179.01 178.54 1i41 h ALA 330 N 1.44 1.26 -2.17 2.92 0.00 -1.19 -3.45 119.26 118.06 1i41 h ALA 330 Ca 0.32 -0.23 -0.60 0.00 0.00 0.00 0.00 54.91 54.40 1i41 h ALA 330 Cb 0.41 -0.16 0.10 0.00 0.00 0.00 0.00 17.79 18.14 1i41 h ALA 330 CO -0.32 0.50 0.37 1.58 0.00 0.00 0.00 179.25 181.38 1i41 n HIS 331 N -4.24 1.76 -0.20 0.00 -0.00 -0.37 -4.90 115.22 107.27 1i41 n HIS 331 Ca 0.02 0.59 -0.10 0.00 -0.00 0.00 0.00 57.72 58.23 1i41 n HIS 331 Cb 0.28 -2.35 0.02 0.00 -0.00 0.00 0.00 29.99 27.93 1i41 n HIS 331 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1i41 h PRO 332 N 2.93 1.06 0.00 1.57 0.13 -1.86 -2.96 132.00 132.87 1i41 h PRO 332 Ca -0.43 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1i41 h PRO 332 Cb 1.31 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1i41 h PRO 332 CO 0.67 1.07 0.00 1.63 -0.23 0.00 0.00 178.00 181.14 1i41 n LYS 333 N -4.15 0.08 -3.01 0.86 5.02 -1.26 -4.57 118.16 111.13 1i41 n LYS 333 Ca 0.02 0.10 -0.44 0.00 -2.02 0.00 0.00 58.31 55.97 1i41 n LYS 333 Cb 0.39 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 1i41 n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i41 s VAL 334 N -2.90 4.66 0.12 -0.18 1.01 -1.12 -0.50 120.40 121.50 1i41 s VAL 334 Ca 0.13 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1i41 s VAL 334 Cb 0.15 -4.59 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 1i41 s VAL 334 CO 0.39 -1.28 1.66 -0.09 0.00 0.00 0.00 175.10 175.78 1i41 h ARG 335 N 9.23 -0.27 -3.57 2.72 9.65 -1.58 -3.46 114.38 127.10 1i41 h ARG 335 Ca -0.23 0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.57 1i41 h ARG 335 Cb 1.07 0.06 -0.16 0.00 -1.39 0.00 0.00 29.97 29.55 1i41 h ARG 335 CO 1.12 -0.18 -0.35 -1.58 2.80 0.00 0.00 179.97 181.77 1i41 s HIS 336 N -6.11 0.04 -0.04 2.20 2.46 -1.10 -4.98 115.29 107.76 1i41 s HIS 336 Ca -0.15 -0.30 0.01 0.00 0.47 0.00 0.00 55.06 55.09 1i41 s HIS 336 Cb 0.09 -0.01 0.02 0.00 -0.13 0.00 0.00 32.58 32.56 1i41 s HIS 336 CO 0.67 -0.48 -0.04 0.08 -2.47 0.00 0.00 174.74 172.50 1i41 s VAL 337 N -2.89 0.48 -0.27 0.89 1.01 -1.26 -1.26 120.40 117.10 1i41 s VAL 337 Ca -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1i41 s VAL 337 Cb 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1i41 s VAL 337 CO -0.06 0.21 0.05 -0.31 0.00 0.00 0.00 175.10 174.99 1i41 s TYR 338 N 0.82 3.09 -0.30 5.22 1.51 0.19 -4.84 117.35 123.04 1i41 s TYR 338 Ca -0.11 -0.85 -0.15 0.00 -1.01 0.00 0.00 57.07 54.95 1i41 s TYR 338 Cb -0.13 -2.22 0.16 0.00 -0.11 0.00 0.00 41.96 39.66 1i41 s TYR 338 CO 0.00 -0.52 1.00 -0.47 -1.11 0.00 0.00 175.55 174.45 1i41 s TYR 339 N 1.52 -0.63 0.51 2.71 5.04 -1.26 -2.67 117.35 122.57 1i41 s TYR 339 Ca 0.04 1.11 0.27 0.00 -2.44 0.00 0.00 57.07 56.05 1i41 s TYR 339 Cb -0.16 0.38 1.37 0.00 0.35 0.00 0.00 41.96 43.90 1i41 s TYR 339 CO 0.01 -0.31 1.92 -1.35 -1.34 0.00 0.00 175.55 174.48 1i41 h PRO 340 N 7.27 0.09 -0.28 4.97 0.11 -1.87 -1.17 132.00 141.13 1i41 h PRO 340 Ca -0.17 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 1i41 h PRO 340 Cb 1.13 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1i41 h PRO 340 CO 0.10 0.06 0.05 0.78 -0.21 0.00 0.00 178.00 178.77 1i41 h GLY 341 N 0.09 0.43 -1.81 -0.55 0.00 -1.94 -3.41 103.07 95.88 1i41 h GLY 341 Ca 0.38 -0.21 -0.50 0.00 0.00 0.00 0.00 47.33 47.00 1i41 h GLY 341 CO -0.04 0.20 0.39 1.08 0.00 0.00 0.00 176.54 178.17 1i41 s LEU 342 N -9.12 3.54 0.44 3.11 1.43 -0.44 -4.94 118.68 112.70 1i41 s LEU 342 Ca -0.07 1.95 0.25 0.00 -1.03 0.00 0.00 54.13 55.23 1i41 s LEU 342 Cb 0.16 -4.55 0.64 0.00 0.03 0.00 0.00 46.19 42.47 1i41 s LEU 342 CO 0.74 -1.30 1.71 1.56 0.23 0.00 0.00 176.35 179.28 1i41 h GLN 343 N 0.53 0.00 0.00 1.70 4.20 -1.86 -3.01 115.11 116.67 1i41 h GLN 343 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1i41 h GLN 343 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1i41 h GLN 343 CO 0.56 0.11 0.00 0.66 -0.67 0.00 0.00 178.83 179.49 1i41 h SER 344 N 0.00 0.00 -3.13 1.46 4.64 -1.92 -3.45 113.55 111.15 1i41 h SER 344 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1i41 h SER 344 Cb 0.90 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.03 1i41 h SER 344 CO 0.01 0.00 0.75 -2.28 -0.87 0.00 0.00 176.83 174.45 1i41 s HIS 345 N -3.58 3.15 0.25 4.77 5.04 -1.14 -4.93 115.29 118.85 1i41 s HIS 345 Ca 0.02 0.95 -0.07 0.00 -1.54 0.00 0.00 55.06 54.42 1i41 s HIS 345 Cb 0.08 -3.76 0.45 0.00 0.04 0.00 0.00 32.58 29.40 1i41 s HIS 345 CO 0.56 -2.60 1.62 -1.35 -2.34 0.00 0.00 174.74 170.63 1i41 h PRO 346 N 6.06 0.06 -0.69 2.88 0.11 -1.91 -1.50 132.00 137.01 1i41 h PRO 346 Ca -0.44 -0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.27 1i41 h PRO 346 Cb 1.21 -0.01 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 1i41 h PRO 346 CO 0.84 0.04 0.23 -0.85 -0.21 0.00 0.00 178.00 178.05 1i41 n GLU 347 N -5.41 2.24 -0.34 1.05 0.00 -1.26 -4.65 120.64 112.27 1i41 n GLU 347 Ca 0.14 -3.23 0.05 0.00 0.00 0.00 0.00 57.16 54.12 1i41 n GLU 347 Cb 0.49 -2.04 0.23 0.00 0.00 0.00 0.00 31.44 30.12 1i41 n GLU 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1i41 h HIS 348 N 1.24 1.10 -0.06 -1.84 2.76 -1.50 0.13 115.15 116.99 1i41 h HIS 348 Ca 0.43 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.58 1i41 h HIS 348 Cb 1.93 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 30.52 1i41 h HIS 348 CO 1.27 0.53 -0.17 1.12 -1.30 0.00 0.00 177.93 179.38 1i41 h HIS 349 N 1.04 0.09 0.03 5.26 2.07 -1.82 0.18 115.15 121.99 1i41 h HIS 349 Ca 0.44 -0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.88 1i41 h HIS 349 Cb 0.30 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 30.26 1i41 h HIS 349 CO -0.00 0.26 -0.27 0.82 -3.07 0.00 0.00 177.93 175.67 1i41 h ILE 350 N 0.08 1.62 -0.40 6.12 2.04 -1.42 -2.73 117.51 122.83 1i41 h ILE 350 Ca 0.02 -2.17 0.08 0.00 1.00 0.00 0.00 64.86 63.78 1i41 h ILE 350 Cb 0.36 3.04 -0.07 0.00 -0.74 0.00 0.00 36.82 39.41 1i41 h ILE 350 CO 0.02 0.59 -0.06 0.00 0.00 0.00 0.00 178.15 178.71 1i41 h ALA 351 N 0.15 0.31 0.00 1.87 0.00 -0.57 0.28 119.26 121.29 1i41 h ALA 351 Ca -0.04 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1i41 h ALA 351 Cb 1.11 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1i41 h ALA 351 CO 0.05 -0.43 -0.01 -0.22 0.00 0.00 0.00 179.25 178.64 1i41 h LYS 352 N 0.04 0.00 0.04 0.00 3.64 -0.71 0.74 116.57 120.32 1i41 h LYS 352 Ca 0.19 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.26 1i41 h LYS 352 Cb 0.29 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1i41 h LYS 352 CO -0.37 0.01 -1.79 1.17 -2.27 0.00 0.00 179.45 176.20 1i41 n LYS 353 N -3.74 0.67 -0.00 1.90 4.81 0.70 -4.53 118.16 117.97 1i41 n LYS 353 Ca -0.03 0.29 0.06 0.00 -0.87 0.00 0.00 58.31 57.76 1i41 n LYS 353 Cb 0.10 -1.77 -0.09 0.00 0.02 0.00 0.00 35.03 33.29 1i41 n LYS 353 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i41 n GLN 354 N -3.18 1.40 -3.64 1.64 10.64 0.37 -5.03 117.38 119.58 1i41 n GLN 354 Ca -0.21 -0.07 -0.22 0.00 -1.83 0.00 0.00 57.00 54.67 1i41 n GLN 354 Cb 1.05 -1.23 -0.02 0.00 -0.86 0.00 0.00 30.24 29.18 1i41 n GLN 354 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1i41 s MET 355 N -2.62 2.44 0.00 2.61 -1.94 0.23 -4.59 119.30 115.43 1i41 s MET 355 Ca -0.01 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.30 1i41 s MET 355 Cb 0.09 -2.30 0.00 0.00 2.01 0.00 0.00 34.83 34.63 1i41 s MET 355 CO 0.54 -0.32 0.00 0.25 -0.01 0.00 0.00 175.02 175.49 1i41 n THR 356 N -1.61 0.00 -4.12 2.05 -2.24 -0.37 -4.77 114.28 103.21 1i41 n THR 356 Ca 0.03 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1i41 n THR 356 Cb 0.62 0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 69.73 1i41 n THR 356 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1i41 s GLY 357 N -0.70 1.17 -0.17 3.38 0.00 -1.25 -5.03 107.32 104.71 1i41 s GLY 357 Ca 0.00 -1.41 0.16 0.00 0.00 0.00 0.00 44.72 43.47 1i41 s GLY 357 CO 0.00 -1.09 1.19 0.69 0.00 0.00 0.00 173.10 173.88 1i41 n PHE 358 N -0.36 0.70 -4.50 1.90 3.72 -1.26 -4.92 117.46 112.73 1i41 n PHE 358 Ca 0.01 -1.45 0.00 0.00 -0.05 0.00 0.00 57.45 55.96 1i41 n PHE 358 Cb 0.64 -0.24 -0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1i41 n PHE 358 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i41 n GLY 359 N -0.53 -1.43 0.00 1.37 0.00 -1.26 -4.61 105.19 98.72 1i41 n GLY 359 Ca 0.19 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1i41 n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i41 n GLY 360 N -0.06 -0.70 3.77 -0.02 0.00 -1.26 -3.81 105.19 103.12 1i41 n GLY 360 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1i41 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i41 s ALA 361 N -0.10 3.55 -0.06 4.61 0.00 -1.26 -2.18 121.76 126.32 1i41 s ALA 361 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1i41 s ALA 361 Cb 0.00 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1i41 s ALA 361 CO 0.00 0.23 -0.00 0.08 0.00 0.00 0.00 175.76 176.06 1i41 s VAL 362 N -0.28 0.34 0.03 0.00 1.01 0.26 -4.93 120.40 116.84 1i41 s VAL 362 Ca 0.27 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1i41 s VAL 362 Cb -0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1i41 s VAL 362 CO 0.14 0.23 0.02 -0.44 0.00 0.00 0.00 175.10 175.06 1i41 s SER 363 N 1.63 5.24 -0.26 3.32 0.01 -1.09 0.02 113.70 122.57 1i41 s SER 363 Ca -0.00 -0.03 -0.26 0.00 1.31 0.00 0.00 55.95 56.97 1i41 s SER 363 Cb -0.13 -1.37 0.10 0.00 0.21 0.00 0.00 66.02 64.83 1i41 s SER 363 CO -0.04 0.24 0.90 0.72 0.41 0.00 0.00 173.24 175.47 1i41 s PHE 364 N -1.20 -0.59 0.04 2.43 -0.71 0.17 0.53 117.98 118.65 1i41 s PHE 364 Ca 0.23 1.40 -0.19 0.00 -1.04 0.00 0.00 56.93 57.33 1i41 s PHE 364 Cb -0.12 0.34 -0.06 0.00 -1.21 0.00 0.00 43.02 41.97 1i41 s PHE 364 CO 0.15 -0.31 0.54 -1.21 -1.34 0.00 0.00 175.22 173.05 1i41 s GLU 365 N 0.11 4.18 0.00 1.99 2.02 -0.39 -0.40 118.70 126.22 1i41 s GLU 365 Ca 0.01 0.67 -0.06 0.00 0.02 0.00 0.00 54.97 55.62 1i41 s GLU 365 Cb -0.04 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 1i41 s GLU 365 CO -0.02 0.59 0.25 0.08 0.02 0.00 0.00 175.26 176.18 1i41 s VAL 366 N -0.91 5.33 -0.88 2.63 1.01 -1.16 -1.73 120.40 124.70 1i41 s VAL 366 Ca 0.28 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 1i41 s VAL 366 Cb -0.19 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.51 1i41 s VAL 366 CO 0.17 0.35 1.98 -0.67 0.00 0.00 0.00 175.10 176.94 1i41 n ASP 367 N 1.08 2.76 0.00 3.32 2.03 0.34 -4.69 116.55 121.39 1i41 n ASP 367 Ca -0.11 -2.70 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1i41 n ASP 367 Cb 0.53 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1i41 n ASP 367 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i41 n GLY 368 N 4.45 2.44 0.95 0.27 0.00 -1.26 -5.02 105.19 107.02 1i41 n GLY 368 Ca 0.50 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1i41 n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i41 n ASP 369 N 0.00 1.03 0.00 1.61 5.75 -1.26 -4.79 116.55 118.89 1i41 n ASP 369 Ca 0.00 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1i41 n ASP 369 Cb 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1i41 n ASP 369 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1i41 n LEU 370 N 0.00 0.00 -0.32 -2.12 -0.00 -1.26 0.74 117.00 114.04 1i41 n LEU 370 Ca -0.02 0.81 0.17 0.00 -0.00 0.00 0.00 56.01 56.97 1i41 n LEU 370 Cb 0.17 -0.31 0.41 0.00 -0.00 0.00 0.00 43.42 43.70 1i41 n LEU 370 CO 0.09 -0.31 1.20 -0.07 -0.00 0.00 0.00 177.39 178.31 1i41 h LEU 371 N 0.00 0.61 0.26 -1.96 -0.00 -1.98 0.10 115.31 112.35 1i41 h LEU 371 Ca 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1i41 h LEU 371 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1i41 h LEU 371 CO 0.00 0.18 -0.12 0.74 -0.00 0.00 0.00 178.44 179.24 1i41 h THR 372 N 0.58 0.78 -0.80 0.22 2.02 -1.54 -0.23 112.91 113.94 1i41 h THR 372 Ca 0.57 -0.66 0.11 0.00 0.77 0.00 0.00 66.41 67.20 1i41 h THR 372 Cb 1.16 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 68.62 1i41 h THR 372 CO -0.34 0.13 0.43 0.74 0.37 0.00 0.00 175.52 176.86 1i41 h THR 373 N -0.70 0.84 0.19 3.16 2.02 0.10 -0.79 112.91 117.73 1i41 h THR 373 Ca -0.04 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1i41 h THR 373 Cb 0.48 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1i41 h THR 373 CO 0.06 0.13 -0.26 0.00 0.37 0.00 0.00 175.52 175.82 1i41 h ALA 374 N 1.48 -0.48 -1.16 6.16 0.00 -0.70 -0.86 119.26 123.69 1i41 h ALA 374 Ca 0.40 -0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.59 1i41 h ALA 374 Cb 0.45 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 1i41 h ALA 374 CO -0.29 -0.81 0.74 -0.22 0.00 0.00 0.00 179.25 178.68 1i41 h LYS 375 N -0.50 0.25 0.58 0.00 3.64 0.38 0.60 116.57 121.51 1i41 h LYS 375 Ca 0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1i41 h LYS 375 Cb 0.50 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1i41 h LYS 375 CO -0.10 0.16 -0.28 0.35 -2.27 0.00 0.00 179.45 177.31 1i41 h PHE 376 N 0.25 -0.72 -0.77 1.91 3.57 -0.31 -2.50 116.94 118.37 1i41 h PHE 376 Ca 0.69 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.29 1i41 h PHE 376 Cb 1.97 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 40.89 1i41 h PHE 376 CO -0.00 -0.45 0.51 -0.39 -2.23 0.00 0.00 178.31 175.74 1i41 h VAL 377 N -0.92 0.88 0.00 1.41 -1.51 -0.79 -0.04 116.25 115.27 1i41 h VAL 377 Ca -0.08 -0.20 -0.04 0.00 -1.23 0.00 0.00 66.70 65.15 1i41 h VAL 377 Cb 0.60 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 29.99 1i41 h VAL 377 CO 0.13 0.11 -0.21 0.44 -1.23 0.00 0.00 177.57 176.81 1i41 h ASP 378 N 0.59 0.00 0.58 4.19 5.19 -0.89 -2.72 116.42 123.36 1i41 h ASP 378 Ca 0.37 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.60 1i41 h ASP 378 Cb 0.62 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1i41 h ASP 378 CO -0.14 0.21 -0.80 0.00 -3.12 0.00 0.00 179.24 175.40 1i41 h ALA 379 N 1.79 0.63 -2.49 3.45 0.00 -0.53 -3.46 119.26 118.66 1i41 h ALA 379 Ca -0.00 -0.68 -0.58 0.00 0.00 0.00 0.00 54.91 53.64 1i41 h ALA 379 Cb 0.39 -0.09 0.15 0.00 0.00 0.00 0.00 17.79 18.24 1i41 h ALA 379 CO 0.03 0.89 -0.12 1.28 0.00 0.00 0.00 179.25 181.33 1i41 n LEU 380 N -3.70 1.88 -0.02 0.00 4.77 -1.03 -4.89 117.00 114.01 1i41 n LEU 380 Ca -0.03 0.86 -0.01 0.00 -0.03 0.00 0.00 56.01 56.81 1i41 n LEU 380 Cb 0.75 -1.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1i41 n LEU 380 CO 0.46 -2.31 -0.63 0.29 -1.33 0.00 0.00 177.39 173.87 1i41 n LYS 381 N -0.14 2.08 -0.08 3.23 4.76 -1.26 -4.87 118.16 121.87 1i41 n LYS 381 Ca 0.12 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 1i41 n LYS 381 Cb 0.44 -1.13 -0.05 0.00 -1.84 0.00 0.00 35.03 32.44 1i41 n LYS 381 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1i41 h ILE 382 N 0.00 0.38 -4.23 -0.18 2.04 -1.96 -3.48 117.51 110.08 1i41 h ILE 382 Ca -0.09 -1.47 -0.52 0.00 1.00 0.00 0.00 64.86 63.78 1i41 h ILE 382 Cb 0.94 0.90 0.14 0.00 -0.74 0.00 0.00 36.82 38.07 1i41 h ILE 382 CO 0.00 0.13 0.34 -2.16 0.00 0.00 0.00 178.15 176.46 1i41 s PRO 383 N -2.24 2.14 -0.16 2.37 0.04 -1.26 -4.74 135.00 131.15 1i41 s PRO 383 Ca -0.19 1.48 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 1i41 s PRO 383 Cb 0.03 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1i41 s PRO 383 CO 0.35 -1.77 0.18 0.71 0.04 0.00 0.00 177.00 176.51 1i41 s TYR 384 N -2.42 3.50 -0.51 0.56 2.02 -0.05 -4.84 117.35 115.61 1i41 s TYR 384 Ca 0.68 0.48 -0.28 0.00 -0.37 0.00 0.00 57.07 57.57 1i41 s TYR 384 Cb -0.23 -2.13 0.02 0.00 -0.40 0.00 0.00 41.96 39.22 1i41 s TYR 384 CO 0.49 0.45 1.33 0.42 -1.57 0.00 0.00 175.55 176.67 1i41 s ILE 385 N -0.16 3.93 0.01 2.71 1.01 -1.26 -1.42 121.20 126.02 1i41 s ILE 385 Ca 0.13 0.88 -0.29 0.00 0.00 0.00 0.00 60.65 61.36 1i41 s ILE 385 Cb -0.12 -4.45 0.11 0.00 0.01 0.00 0.00 42.46 38.02 1i41 s ILE 385 CO 0.02 -1.05 1.24 0.00 0.00 0.00 0.00 174.94 175.15 1i41 s ALA 386 N 5.43 -2.16 1.00 9.38 0.00 -0.54 -4.96 121.76 129.91 1i41 s ALA 386 Ca 0.53 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1i41 s ALA 386 Cb -0.10 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1i41 s ALA 386 CO 0.29 -1.06 0.00 -2.30 0.00 0.00 0.00 175.76 172.69 1i41 n PRO 387 N -0.51 0.93 -1.31 0.00 -0.02 -1.26 -4.40 135.00 128.42 1i41 n PRO 387 Ca -0.08 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.58 1i41 n PRO 387 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.05 1i41 n PRO 387 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i41 n SER 388 N -0.16 -7.82 0.00 2.55 2.88 -1.26 -4.94 113.62 104.87 1i41 n SER 388 Ca 0.00 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1i41 n SER 388 Cb 0.00 -4.05 0.00 0.00 -0.75 0.00 0.00 64.21 59.41 1i41 n SER 388 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1i41 n PHE 389 N -4.00 0.00 -0.01 0.66 1.16 -1.26 -4.93 117.46 109.07 1i41 n PHE 389 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1i41 n PHE 389 Cb 0.60 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.47 1i41 n PHE 389 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1i41 n GLY 390 N -0.08 0.34 3.94 4.97 0.00 -1.26 -4.25 105.19 108.85 1i41 n GLY 390 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1i41 n GLY 390 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i41 s GLY 391 N -1.41 1.56 0.45 -0.02 0.00 -1.26 -4.24 107.32 102.39 1i41 s GLY 391 Ca 0.00 -0.97 0.16 0.00 0.00 0.00 0.00 44.72 43.91 1i41 s GLY 391 CO 0.00 -0.80 1.96 0.00 0.00 0.00 0.00 173.10 174.26 1i41 s GLU 393 N -5.34 4.57 0.27 0.00 8.01 -1.26 -0.39 118.70 124.56 1i41 s GLU 393 Ca -0.07 1.55 -0.20 0.00 0.01 0.00 0.00 54.97 56.25 1i41 s GLU 393 Cb 0.20 -2.96 -0.09 0.00 -4.31 0.00 0.00 34.13 26.97 1i41 s GLU 393 CO 0.75 0.22 0.78 -1.12 0.01 0.00 0.00 175.26 175.90 1i41 s SER 394 N -1.29 7.05 0.02 -0.19 0.01 -1.26 -4.31 113.70 113.74 1i41 s SER 394 Ca 0.48 1.49 0.01 0.00 1.31 0.00 0.00 55.95 59.24 1i41 s SER 394 Cb -0.25 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1i41 s SER 394 CO 0.32 -0.05 -0.05 -0.63 0.41 0.00 0.00 173.24 173.23 1i41 s ILE 395 N -1.67 0.29 0.06 1.44 1.01 -0.80 -0.87 121.20 120.66 1i41 s ILE 395 Ca 0.48 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1i41 s ILE 395 Cb -0.15 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1i41 s ILE 395 CO 0.20 -0.33 -0.05 0.68 0.00 0.00 0.00 174.94 175.44 1i41 s VAL 396 N -1.11 0.45 -0.02 2.92 -7.23 -0.51 -0.77 120.40 114.12 1i41 s VAL 396 Ca -0.10 -1.51 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 1i41 s VAL 396 Cb -0.08 -1.13 0.10 0.00 0.56 0.00 0.00 36.38 35.83 1i41 s VAL 396 CO -0.00 -0.71 0.84 1.51 -0.31 0.00 0.00 175.10 176.43 1i41 s ASP 397 N -2.37 -0.43 -0.76 4.85 -4.77 -1.12 -1.47 116.67 110.60 1i41 s ASP 397 Ca 0.00 0.17 -0.04 0.00 -3.30 0.00 0.00 52.55 49.38 1i41 s ASP 397 Cb -0.01 0.42 0.19 0.00 -1.09 0.00 0.00 42.92 42.44 1i41 s ASP 397 CO -0.04 -0.61 0.63 -1.58 0.70 0.00 0.00 175.17 174.27 1i41 s GLN 398 N -2.55 3.03 0.19 2.11 0.74 -1.26 -1.78 119.66 120.14 1i41 s GLN 398 Ca 0.01 -2.80 0.02 0.00 0.05 0.00 0.00 55.36 52.64 1i41 s GLN 398 Cb -0.01 -3.94 0.49 0.00 1.10 0.00 0.00 33.01 30.65 1i41 s GLN 398 CO -0.05 -1.22 0.96 -2.30 -0.55 0.00 0.00 175.29 172.13 1i41 n PRO 399 N 3.14 -0.05 -0.31 1.67 -0.02 -1.26 0.14 135.00 138.31 1i41 n PRO 399 Ca 0.14 0.92 0.16 0.00 -2.02 0.00 0.00 63.50 62.70 1i41 n PRO 399 Cb 0.39 -1.47 0.35 0.00 -0.02 0.00 0.00 33.50 32.75 1i41 n PRO 399 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i41 h ALA 400 N 1.23 1.51 0.00 3.55 0.00 -1.84 0.13 119.26 123.84 1i41 h ALA 400 Ca 0.38 0.20 -0.25 0.00 0.00 0.00 0.00 54.91 55.23 1i41 h ALA 400 Cb 0.80 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1i41 h ALA 400 CO -0.57 -0.45 -1.69 -0.89 0.00 0.00 0.00 179.25 175.64 1i41 n ILE 401 N -5.12 1.51 -0.32 0.00 5.41 0.37 -1.78 119.36 119.44 1i41 n ILE 401 Ca 0.24 -0.12 0.18 0.00 1.00 0.00 0.00 62.75 64.05 1i41 n ILE 401 Cb 0.76 -2.09 0.37 0.00 -0.71 0.00 0.00 39.64 37.97 1i41 n ILE 401 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1i41 h MET 402 N -1.00 0.27 0.00 0.38 4.05 -0.20 -3.07 114.93 115.36 1i41 h MET 402 Ca -0.38 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 58.86 1i41 h MET 402 Cb 1.28 -0.06 -0.34 0.00 -0.80 0.00 0.00 31.60 31.68 1i41 h MET 402 CO -0.23 0.18 -0.92 0.43 0.23 0.00 0.00 176.91 176.60 1i41 n SER 403 N -5.14 0.70 0.00 1.39 7.64 0.42 -4.86 113.62 113.77 1i41 n SER 403 Ca 0.26 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1i41 n SER 403 Cb 0.81 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1i41 n SER 403 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1i41 n TYR 404 N 0.41 0.00 0.21 1.43 4.02 -1.04 -4.90 117.16 117.30 1i41 n TYR 404 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 1i41 n TYR 404 Cb 1.07 0.07 0.59 0.00 -0.02 0.00 0.00 39.34 41.05 1i41 n TYR 404 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1i41 n TRP 405 N 0.00 0.79 1.11 -0.72 -0.00 -0.73 -1.12 117.44 116.76 1i41 n TRP 405 Ca 0.00 0.39 0.12 0.00 -0.00 0.00 0.00 57.50 58.01 1i41 n TRP 405 Cb 0.37 -1.12 0.60 0.00 -0.00 0.00 0.00 31.31 31.16 1i41 n TRP 405 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1i41 n ASP 406 N -2.29 0.00 -4.79 5.87 5.75 -1.26 -4.81 116.55 115.01 1i41 n ASP 406 Ca -0.01 -0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.55 1i41 n ASP 406 Cb 0.08 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 39.81 1i41 n ASP 406 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1i41 s LEU 407 N -2.62 3.41 0.43 -2.12 1.43 -0.28 -5.12 118.68 113.81 1i41 s LEU 407 Ca 0.22 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 1i41 s LEU 407 Cb 0.16 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1i41 s LEU 407 CO 0.38 -0.36 0.89 -0.94 0.23 0.00 0.00 176.35 176.55 1i41 s SER 408 N -3.93 6.76 0.39 2.29 1.04 -1.26 -4.82 113.70 114.17 1i41 s SER 408 Ca 0.40 1.50 0.21 0.00 0.48 0.00 0.00 55.95 58.53 1i41 s SER 408 Cb -0.04 -2.47 1.21 0.00 0.10 0.00 0.00 66.02 64.82 1i41 s SER 408 CO 0.25 -0.40 1.67 -0.61 0.98 0.00 0.00 173.24 175.13 1i41 h GLN 409 N 1.60 0.25 0.18 4.02 5.75 -1.97 0.66 115.11 125.60 1i41 h GLN 409 Ca -0.48 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1i41 h GLN 409 Cb 1.18 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1i41 h GLN 409 CO 0.62 0.16 -0.09 0.66 -2.65 0.00 0.00 178.83 177.54 1i41 h SER 410 N 0.26 -0.21 -0.09 -0.69 4.64 -1.99 -2.63 113.55 112.84 1i41 h SER 410 Ca 0.73 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.80 1i41 h SER 410 Cb 1.94 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1i41 h SER 410 CO -0.48 0.35 0.14 0.44 -0.87 0.00 0.00 176.83 176.41 1i41 h ASP 411 N -0.94 0.00 0.31 4.97 3.32 -1.41 -1.75 116.42 120.92 1i41 h ASP 411 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1i41 h ASP 411 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1i41 h ASP 411 CO 0.04 0.00 -0.15 0.03 -1.72 0.00 0.00 179.24 177.44 1i41 h ARG 412 N 0.00 -0.40 0.00 3.56 3.08 0.25 -2.98 114.38 117.89 1i41 h ARG 412 Ca 0.04 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1i41 h ARG 412 Cb 0.32 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1i41 h ARG 412 CO -0.00 -0.08 0.12 0.00 -1.07 0.00 0.00 179.97 178.93 1i41 h ALA 413 N -0.62 1.11 0.00 0.04 0.00 -0.96 -1.11 119.26 117.72 1i41 h ALA 413 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i41 h ALA 413 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1i41 h ALA 413 CO 0.07 -0.11 0.34 -0.22 0.00 0.00 0.00 179.25 179.33 1i41 h LYS 414 N 0.00 0.00 -1.21 0.00 3.64 -1.20 -2.36 116.57 115.45 1i41 h LYS 414 Ca 0.00 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.97 1i41 h LYS 414 Cb 0.24 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.66 1i41 h LYS 414 CO 0.00 0.00 -1.11 0.66 -2.27 0.00 0.00 179.45 176.73 1i41 n TYR 415 N -2.77 1.50 0.00 1.91 4.01 -0.42 -4.98 117.16 116.41 1i41 n TYR 415 Ca -0.02 -2.97 0.00 0.00 -0.16 0.00 0.00 57.90 54.75 1i41 n TYR 415 Cb 0.38 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1i41 n TYR 415 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i41 n GLY 416 N -0.10 0.24 3.54 2.72 0.00 -0.89 -4.88 105.19 105.83 1i41 n GLY 416 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1i41 n GLY 416 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i41 n ILE 417 N -1.00 0.21 -4.12 -0.61 2.08 -1.25 -4.93 119.36 109.74 1i41 n ILE 417 Ca 0.00 -0.45 -0.22 0.00 0.56 0.00 0.00 62.75 62.64 1i41 n ILE 417 Cb 0.00 -2.27 -0.04 0.00 -0.75 0.00 0.00 39.64 36.57 1i41 n ILE 417 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1i41 s MET 418 N 6.75 2.91 0.08 0.38 -1.94 -1.26 -3.70 119.30 122.52 1i41 s MET 418 Ca 1.04 -1.06 0.21 0.00 -1.71 0.00 0.00 55.69 54.17 1i41 s MET 418 Cb -0.49 -2.55 0.86 0.00 2.01 0.00 0.00 34.83 34.66 1i41 s MET 418 CO 0.38 0.40 1.66 -0.25 -0.01 0.00 0.00 175.02 177.20 1i41 n ASP 419 N -1.16 0.23 -0.02 3.03 8.00 -1.26 -2.71 116.55 122.67 1i41 n ASP 419 Ca -0.08 0.54 -0.15 0.00 0.71 0.00 0.00 54.79 55.81 1i41 n ASP 419 Cb 0.58 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.94 1i41 n ASP 419 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1i41 n ASN 420 N -1.74 1.48 -4.68 -2.24 4.13 -1.26 -4.18 115.26 106.76 1i41 n ASN 420 Ca 0.04 0.28 -0.61 0.00 1.68 0.00 0.00 54.58 55.96 1i41 n ASN 420 Cb 0.25 -0.42 -0.08 0.00 -1.54 0.00 0.00 39.78 37.99 1i41 n ASN 420 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1i41 n LEU 421 N -3.25 1.48 -4.17 3.41 7.94 -1.10 -2.96 117.00 118.34 1i41 n LEU 421 Ca -0.26 1.14 -0.27 0.00 -1.11 0.00 0.00 56.01 55.51 1i41 n LEU 421 Cb 1.05 -1.01 -0.16 0.00 0.53 0.00 0.00 43.42 43.83 1i41 n LEU 421 CO 0.43 -0.88 -0.52 -0.69 -1.11 0.00 0.00 177.39 174.62 1i41 s VAL 422 N 2.48 1.59 -0.34 1.96 1.01 0.46 -4.28 120.40 123.28 1i41 s VAL 422 Ca 0.99 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 1i41 s VAL 422 Cb -1.26 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 33.83 1i41 s VAL 422 CO 0.69 0.45 0.08 -0.60 0.00 0.00 0.00 175.10 175.73 1i41 s ARG 423 N -0.09 2.34 -0.34 2.72 3.00 -0.73 -0.66 118.95 125.19 1i41 s ARG 423 Ca -0.02 -1.42 -0.12 0.00 -1.00 0.00 0.00 55.73 53.17 1i41 s ARG 423 Cb -0.11 -3.36 -0.01 0.00 0.00 0.00 0.00 34.95 31.47 1i41 s ARG 423 CO 0.02 -0.77 0.21 0.12 0.00 0.00 0.00 175.30 174.89 1i41 s PHE 424 N 1.25 3.21 -0.72 5.12 2.19 0.10 -2.78 117.98 126.36 1i41 s PHE 424 Ca -0.00 -0.44 -0.15 0.00 0.33 0.00 0.00 56.93 56.67 1i41 s PHE 424 Cb -0.21 -2.44 0.19 0.00 -1.31 0.00 0.00 43.02 39.24 1i41 s PHE 424 CO -0.01 -0.44 0.66 0.45 1.83 0.00 0.00 175.22 177.71 1i41 s SER 425 N 1.67 6.53 0.24 6.13 0.15 0.05 -0.57 113.70 127.89 1i41 s SER 425 Ca 0.05 -2.36 -0.31 0.00 0.70 0.00 0.00 55.95 54.02 1i41 s SER 425 Cb -0.18 -2.20 -0.12 0.00 -1.71 0.00 0.00 66.02 61.81 1i41 s SER 425 CO 0.09 -0.67 1.69 -0.36 1.20 0.00 0.00 173.24 175.18 1i41 s PHE 426 N 0.68 2.85 0.00 3.44 0.08 -0.93 -1.91 117.98 122.20 1i41 s PHE 426 Ca 0.12 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.65 1i41 s PHE 426 Cb -0.18 -4.12 0.00 0.00 -0.57 0.00 0.00 43.02 38.15 1i41 s PHE 426 CO -0.05 -4.11 0.00 0.41 -0.10 0.00 0.00 175.22 171.37 1i41 n GLY 427 N 3.40 0.89 0.00 4.36 0.00 -1.26 -4.79 105.19 107.78 1i41 n GLY 427 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1i41 n GLY 427 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i41 n VAL 428 N 0.00 0.07 -0.70 1.61 0.31 0.48 -4.52 118.33 115.57 1i41 n VAL 428 Ca 0.00 -0.33 -0.32 0.00 -0.01 0.00 0.00 64.34 63.69 1i41 n VAL 428 Cb 0.00 1.33 0.16 0.00 -0.91 0.00 0.00 33.84 34.42 1i41 n VAL 428 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i41 n GLU 429 N -0.03 -0.67 -1.71 5.55 4.71 -1.26 -4.86 120.64 122.37 1i41 n GLU 429 Ca 0.00 -0.15 -0.43 0.00 -0.01 0.00 0.00 57.16 56.57 1i41 n GLU 429 Cb 0.13 -2.09 -0.01 0.00 -1.01 0.00 0.00 31.44 28.46 1i41 n GLU 429 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1i41 n ASP 430 N -2.89 3.07 0.05 1.62 2.03 -1.26 -4.85 116.55 114.33 1i41 n ASP 430 Ca 0.08 1.18 -0.07 0.00 0.52 0.00 0.00 54.79 56.50 1i41 n ASP 430 Cb 0.54 -1.50 -0.04 0.00 -0.72 0.00 0.00 41.12 39.39 1i41 n ASP 430 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1i41 h PHE 431 N 3.45 -0.66 -0.88 -0.67 3.57 -1.99 -1.37 116.94 118.39 1i41 h PHE 431 Ca -0.46 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.25 1i41 h PHE 431 Cb 1.27 0.28 -0.16 0.00 2.79 0.00 0.00 35.95 40.12 1i41 h PHE 431 CO 0.54 -0.26 -0.11 -0.44 -2.23 0.00 0.00 178.31 175.81 1i41 h ASP 432 N -0.33 -0.63 -0.93 0.41 3.32 -1.99 0.66 116.42 116.93 1i41 h ASP 432 Ca -0.00 0.25 0.08 0.00 0.02 0.00 0.00 57.03 57.38 1i41 h ASP 432 Cb 0.33 0.49 -0.07 0.00 0.22 0.00 0.00 39.33 40.30 1i41 h ASP 432 CO -0.12 -0.28 0.58 0.44 -1.72 0.00 0.00 179.24 178.14 1i41 h ASP 433 N 0.03 0.90 -0.00 6.45 3.32 -1.81 0.63 116.42 125.93 1i41 h ASP 433 Ca 0.47 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.54 1i41 h ASP 433 Cb 0.81 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1i41 h ASP 433 CO -0.86 0.55 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.13 1i41 h LEU 434 N 1.02 0.01 0.10 1.55 3.38 0.13 -2.91 115.31 118.59 1i41 h LEU 434 Ca 0.42 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1i41 h LEU 434 Cb 0.25 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1i41 h LEU 434 CO -0.20 0.55 -0.25 0.50 0.09 0.00 0.00 178.44 179.13 1i41 h LYS 435 N -0.54 -0.43 -0.64 1.13 3.64 -0.39 0.50 116.57 119.84 1i41 h LYS 435 Ca 0.00 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1i41 h LYS 435 Cb 0.55 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.36 1i41 h LYS 435 CO 0.00 -0.29 -0.04 0.00 -2.27 0.00 0.00 179.45 176.85 1i41 h ALA 436 N 0.31 0.59 0.69 5.00 0.00 -0.97 0.17 119.26 125.04 1i41 h ALA 436 Ca 0.03 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1i41 h ALA 436 Cb 0.48 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1i41 h ALA 436 CO -0.16 -0.41 -0.48 0.22 0.00 0.00 0.00 179.25 178.42 1i41 h ASP 437 N 0.08 -1.25 -0.33 0.00 3.58 -1.13 0.21 116.42 117.58 1i41 h ASP 437 Ca 0.33 0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.94 1i41 h ASP 437 Cb 0.54 0.38 -0.08 0.00 1.72 0.00 0.00 39.33 41.89 1i41 h ASP 437 CO -0.58 -0.71 -0.24 0.40 -2.88 0.00 0.00 179.24 175.23 1i41 h ILE 438 N -1.12 0.37 -0.09 2.25 2.04 -0.03 -1.74 117.51 119.20 1i41 h ILE 438 Ca -0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1i41 h ILE 438 Cb 0.92 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1i41 h ILE 438 CO 0.06 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.13 1i41 h LEU 439 N -0.20 -0.04 -1.70 1.44 3.38 -0.59 0.25 115.31 117.85 1i41 h LEU 439 Ca 0.17 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.27 1i41 h LEU 439 Cb 0.46 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1i41 h LEU 439 CO -0.45 -0.01 0.59 -0.61 0.09 0.00 0.00 178.44 178.05 1i41 h GLN 440 N 0.03 0.00 0.05 1.13 -0.00 0.28 0.98 115.11 117.57 1i41 h GLN 440 Ca 0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 58.33 1i41 h GLN 440 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.49 1i41 h GLN 440 CO -0.07 0.00 -2.08 0.00 0.00 0.00 0.00 178.83 176.68 1i41 n ALA 441 N -2.17 1.07 0.00 3.38 0.00 -0.34 -3.88 120.51 118.57 1i41 n ALA 441 Ca 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1i41 n ALA 441 Cb 0.75 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1i41 n ALA 441 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i41 n LEU 442 N -3.72 0.00 0.00 0.00 4.77 0.74 -0.22 117.00 118.56 1i41 n LEU 442 Ca -0.39 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1i41 n LEU 442 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1i41 n LEU 442 CO 0.27 0.00 -0.46 0.47 -1.33 0.00 0.00 177.39 176.35 1i41 n ASP 443 N -0.58 4.56 -0.88 -1.43 9.92 -0.91 -4.65 116.55 122.59 1i41 n ASP 443 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1i41 n ASP 443 Cb 0.00 0.81 0.04 0.00 -0.64 0.00 0.00 41.12 41.32 1i41 n ASP 443 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1i41 n SER 444 N -1.49 2.23 0.00 -2.24 7.64 0.69 -5.13 113.62 115.33 1i41 n SER 444 Ca 0.00 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1i41 n SER 444 Cb 0.11 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1i41 n SER 444 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65