#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 n GLU 28 N 0.00 0.00 -2.21 0.00 0.00 -1.26 -5.12 120.64 112.05 3cx5 n GLU 28 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 57.16 57.07 3cx5 n GLU 28 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 31.44 31.36 3cx5 n GLU 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3cx5 n VAL 29 N 0.00-11.36 -2.95 3.84 0.31 -1.26 -5.01 118.33 101.91 3cx5 n VAL 29 Ca 0.00 2.50 -0.32 0.00 -0.01 0.00 0.00 64.34 66.52 3cx5 n VAL 29 Cb 0.50 -5.73 -0.05 0.00 -0.91 0.00 0.00 33.84 27.65 3cx5 n VAL 29 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3cx5 s THR 30 N -0.51 4.64 -0.26 2.52 -4.23 -1.19 -4.98 115.64 111.64 3cx5 s THR 30 Ca -0.09 0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 61.38 3cx5 s THR 30 Cb 0.01 -3.65 0.10 0.00 1.34 0.00 0.00 72.50 70.30 3cx5 s THR 30 CO 0.24 -0.34 0.17 -1.58 -0.54 0.00 0.00 174.62 172.57 3cx5 s GLN 31 N -3.33 0.20 0.09 3.99 2.00 -1.26 -3.00 119.66 118.35 3cx5 s GLN 31 Ca 0.55 -0.26 0.10 0.00 -2.00 0.00 0.00 55.36 53.75 3cx5 s GLN 31 Cb -0.10 -1.18 -0.03 0.00 0.80 0.00 0.00 33.01 32.49 3cx5 s GLN 31 CO 0.21 -0.91 -0.26 -0.51 -0.50 0.00 0.00 175.29 173.32 3cx5 s LEU 32 N 2.20 2.25 -0.03 3.68 1.43 -0.88 -5.01 118.68 122.31 3cx5 s LEU 32 Ca 0.07 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3cx5 s LEU 32 Cb -0.16 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.84 3cx5 s LEU 32 CO -0.27 0.21 -0.05 -0.55 0.23 0.00 0.00 176.35 175.92 3cx5 s SER 33 N -1.66 0.85 0.00 2.29 0.15 -1.26 -0.80 113.70 113.27 3cx5 s SER 33 Ca 0.13 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3cx5 s SER 33 Cb -0.10 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 3cx5 s SER 33 CO 0.04 -0.03 0.12 -0.46 1.20 0.00 0.00 173.24 174.12 3cx5 n ASN 34 N 3.80 0.25 0.00 5.45 0.23 -1.26 -4.94 115.26 118.79 3cx5 n ASN 34 Ca -0.23 -0.63 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 3cx5 n ASN 34 Cb 0.52 0.24 0.00 0.00 -2.08 0.00 0.00 39.78 38.46 3cx5 n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cx5 n GLY 35 N 0.24 1.62 3.59 4.83 0.00 -1.26 -5.07 105.19 109.13 3cx5 n GLY 35 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3cx5 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cx5 s ILE 36 N 0.00 5.06 -0.31 -0.61 1.01 -1.26 -4.92 121.20 120.18 3cx5 s ILE 36 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 3cx5 s ILE 36 Cb 0.00 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.11 3cx5 s ILE 36 CO 0.00 0.33 1.15 0.54 0.00 0.00 0.00 174.94 176.95 3cx5 s VAL 37 N 1.32 4.39 -0.16 2.92 0.11 -1.26 -4.52 120.40 123.20 3cx5 s VAL 37 Ca 0.07 1.59 -0.05 0.00 -2.93 0.00 0.00 61.98 60.66 3cx5 s VAL 37 Cb -0.15 -4.33 -0.03 0.00 -1.53 0.00 0.00 36.38 30.34 3cx5 s VAL 37 CO 0.06 -0.48 -0.00 -0.69 -3.33 0.00 0.00 175.10 170.66 3cx5 s VAL 38 N 3.86 4.23 -0.05 2.04 1.01 0.02 -1.73 120.40 129.78 3cx5 s VAL 38 Ca 0.49 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.24 3cx5 s VAL 38 Cb -0.14 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3cx5 s VAL 38 CO 0.18 0.49 -0.07 0.00 0.00 0.00 0.00 175.10 175.70 3cx5 s ALA 39 N 0.29 0.87 0.15 5.51 0.00 -0.39 -2.06 121.76 126.14 3cx5 s ALA 39 Ca -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.82 3cx5 s ALA 39 Cb -0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3cx5 s ALA 39 CO 0.02 0.02 -0.09 0.95 0.00 0.00 0.00 175.76 176.66 3cx5 s THR 40 N 0.84 1.16 -0.32 0.00 -4.23 -1.16 -0.64 115.64 111.28 3cx5 s THR 40 Ca -0.12 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.32 3cx5 s THR 40 Cb -0.15 -1.89 0.12 0.00 1.34 0.00 0.00 72.50 71.93 3cx5 s THR 40 CO 0.01 -0.71 0.22 -0.70 -0.54 0.00 0.00 174.62 172.90 3cx5 s GLU 41 N -3.76 0.36 0.13 3.99 2.12 0.54 -3.16 118.70 118.93 3cx5 s GLU 41 Ca 0.18 -0.69 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 3cx5 s GLU 41 Cb 0.03 -1.03 -0.07 0.00 0.26 0.00 0.00 34.13 33.32 3cx5 s GLU 41 CO 0.01 -1.09 1.26 -1.58 -0.54 0.00 0.00 175.26 173.32 3cx5 s HIS 42 N 1.81 3.37 -0.28 5.30 5.65 -1.26 -3.31 115.29 126.57 3cx5 s HIS 42 Ca 0.12 1.25 0.00 0.00 0.25 0.00 0.00 55.06 56.68 3cx5 s HIS 42 Cb -0.17 -3.51 0.09 0.00 -1.18 0.00 0.00 32.58 27.81 3cx5 s HIS 42 CO -0.22 -1.59 0.05 1.21 -0.65 0.00 0.00 174.74 173.53 3cx5 s ASN 43 N 0.69 3.97 0.45 9.88 2.47 0.60 -4.79 114.94 128.21 3cx5 s ASN 43 Ca 0.58 -1.52 0.12 0.00 0.42 0.00 0.00 52.86 52.46 3cx5 s ASN 43 Cb -0.33 -1.03 1.02 0.00 -1.45 0.00 0.00 41.25 39.47 3cx5 s ASN 43 CO 0.33 -0.36 2.06 1.55 -3.72 0.00 0.00 177.10 176.96 3cx5 h PRO 44 N 8.00 0.19 0.00 0.43 0.13 -1.96 -2.41 132.00 136.39 3cx5 h PRO 44 Ca -0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3cx5 h PRO 44 Cb 1.04 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3cx5 h PRO 44 CO 0.45 0.20 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 3cx5 n SER 45 N -4.44 0.05 -4.77 1.44 3.41 -1.26 -4.85 113.62 103.20 3cx5 n SER 45 Ca -0.01 0.50 -0.39 0.00 -0.26 0.00 0.00 58.87 58.72 3cx5 n SER 45 Cb 0.14 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 3cx5 n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cx5 s ALA 46 N -3.01 3.29 -2.12 7.33 0.00 -0.91 -4.96 121.76 121.39 3cx5 s ALA 46 Ca 0.13 0.78 0.17 0.00 0.00 0.00 0.00 51.96 53.05 3cx5 s ALA 46 Cb 0.18 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 20.14 3cx5 s ALA 46 CO 0.52 -0.11 1.04 0.72 0.00 0.00 0.00 175.76 177.93 3cx5 n HIS 47 N 0.81 0.00 -4.42 0.00 8.25 -1.26 -4.51 115.22 114.09 3cx5 n HIS 47 Ca 0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 3cx5 n HIS 47 Cb 0.47 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.50 3cx5 n HIS 47 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3cx5 s THR 48 N -1.47 0.33 -0.04 1.59 -4.23 -1.26 -4.31 115.64 106.24 3cx5 s THR 48 Ca 0.20 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 3cx5 s THR 48 Cb 0.14 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.60 3cx5 s THR 48 CO 0.23 0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.47 3cx5 s ALA 49 N -3.32 -0.40 -0.10 3.99 0.00 0.85 -0.49 121.76 122.29 3cx5 s ALA 49 Ca 0.30 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.57 3cx5 s ALA 49 Cb 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3cx5 s ALA 49 CO 0.20 -0.13 -0.15 -1.12 0.00 0.00 0.00 175.76 174.55 3cx5 s SER 50 N -0.43 2.37 -0.04 0.00 0.01 -0.09 -1.16 113.70 114.35 3cx5 s SER 50 Ca -0.05 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.83 3cx5 s SER 50 Cb -0.03 -1.07 -0.00 0.00 0.21 0.00 0.00 66.02 65.13 3cx5 s SER 50 CO 0.01 0.03 -0.15 -0.69 0.41 0.00 0.00 173.24 172.85 3cx5 s VAL 51 N 0.85 1.28 0.06 3.43 1.01 -0.43 -0.94 120.40 125.66 3cx5 s VAL 51 Ca -0.10 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3cx5 s VAL 51 Cb -0.15 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.14 3cx5 s VAL 51 CO 0.01 0.37 0.34 0.61 0.00 0.00 0.00 175.10 176.43 3cx5 n GLY 52 N 3.15 1.07 3.04 4.51 0.00 -0.84 -0.32 105.19 115.82 3cx5 n GLY 52 Ca -0.18 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 3cx5 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cx5 s VAL 53 N -2.40 1.13 -0.17 1.61 0.11 -0.10 -0.40 120.40 120.18 3cx5 s VAL 53 Ca 0.08 -0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 58.61 3cx5 s VAL 53 Cb -0.01 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3cx5 s VAL 53 CO 0.02 0.35 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.33 3cx5 s VAL 54 N 0.42 2.99 -0.11 2.04 1.01 0.01 -1.58 120.40 125.18 3cx5 s VAL 54 Ca -0.10 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 3cx5 s VAL 54 Cb -0.13 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3cx5 s VAL 54 CO 0.03 0.49 0.14 -0.36 0.00 0.00 0.00 175.10 175.40 3cx5 s PHE 55 N 0.89 3.59 0.00 5.22 0.40 0.16 -1.59 117.98 126.65 3cx5 s PHE 55 Ca -0.03 0.51 0.00 0.00 -0.60 0.00 0.00 56.93 56.82 3cx5 s PHE 55 Cb -0.15 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.45 3cx5 s PHE 55 CO -0.00 0.73 1.86 0.41 0.70 0.00 0.00 175.22 178.92 3cx5 n GLY 56 N 1.91 2.43 2.81 4.36 0.00 0.23 -1.27 105.19 115.65 3cx5 n GLY 56 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 3cx5 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 s SER 57 N 1.87 0.11 0.00 1.61 0.01 -1.08 -4.76 113.70 111.46 3cx5 s SER 57 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 3cx5 s SER 57 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 3cx5 s SER 57 CO 0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 3cx5 n GLY 58 N 3.88 5.40 0.26 3.44 0.00 -1.23 -2.84 105.19 114.10 3cx5 n GLY 58 Ca -0.24 -1.27 0.10 0.00 0.00 0.00 0.00 46.02 44.62 3cx5 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cx5 h ALA 59 N 1.00 1.56 0.00 4.61 0.00 -1.09 -1.61 119.26 123.74 3cx5 h ALA 59 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3cx5 h ALA 59 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3cx5 h ALA 59 CO 0.00 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3cx5 n ALA 60 N -2.39 1.87 0.05 0.00 0.00 -0.40 -2.11 120.51 117.52 3cx5 n ALA 60 Ca -0.02 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.42 3cx5 n ALA 60 Cb 0.18 -1.26 0.16 0.00 0.00 0.00 0.00 19.45 18.53 3cx5 n ALA 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cx5 n ASN 61 N -1.32 2.92 -4.74 0.00 3.02 -0.60 -4.68 115.26 109.86 3cx5 n ASN 61 Ca 0.07 -1.87 -0.18 0.00 -0.03 0.00 0.00 54.58 52.56 3cx5 n ASN 61 Cb 0.14 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.16 3cx5 n ASN 61 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cx5 n GLU 62 N 0.86 0.63 -4.50 3.52 1.02 -0.90 -4.99 120.64 116.28 3cx5 n GLU 62 Ca 0.13 -2.91 -0.24 0.00 -0.02 0.00 0.00 57.16 54.13 3cx5 n GLU 62 Cb 0.45 -0.22 -0.11 0.00 -0.02 0.00 0.00 31.44 31.54 3cx5 n GLU 62 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cx5 s ASN 63 N -4.35 2.99 0.62 1.62 2.20 -1.26 -4.95 114.94 111.82 3cx5 s ASN 63 Ca 0.57 -1.32 0.36 0.00 -0.94 0.00 0.00 52.86 51.52 3cx5 s ASN 63 Cb -0.04 -0.21 1.95 0.00 -2.00 0.00 0.00 41.25 40.94 3cx5 s ASN 63 CO 0.36 -0.48 2.09 -0.65 -2.94 0.00 0.00 177.10 175.48 3cx5 h PRO 64 N 2.04 0.00 0.00 3.55 0.11 -1.98 -1.26 132.00 134.47 3cx5 h PRO 64 Ca -0.42 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 3cx5 h PRO 64 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3cx5 h PRO 64 CO 0.73 0.00 -1.77 0.66 -0.21 0.00 0.00 178.00 177.41 3cx5 n TYR 65 N -2.89 0.34 -0.23 0.65 4.02 -1.26 -4.11 117.16 113.69 3cx5 n TYR 65 Ca -0.02 0.10 0.06 0.00 -0.01 0.00 0.00 57.90 58.03 3cx5 n TYR 65 Cb 0.20 -0.75 0.16 0.00 -0.02 0.00 0.00 39.34 38.93 3cx5 n TYR 65 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3cx5 n ASN 66 N -2.50 2.97 -4.61 7.72 2.04 -1.05 -4.76 115.26 115.07 3cx5 n ASN 66 Ca -0.08 -2.07 -0.47 0.00 -0.44 0.00 0.00 54.58 51.52 3cx5 n ASN 66 Cb 0.69 -0.25 -0.05 0.00 -2.53 0.00 0.00 39.78 37.64 3cx5 n ASN 66 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3cx5 n ASN 67 N 0.42 3.16 0.00 0.53 5.15 -0.50 -1.38 115.26 122.64 3cx5 n ASN 67 Ca 0.12 0.67 0.00 0.00 -0.60 0.00 0.00 54.58 54.77 3cx5 n ASN 67 Cb 0.45 -1.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.31 3cx5 n ASN 67 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cx5 n GLY 68 N 5.19 1.13 0.29 8.20 0.00 -1.26 -3.50 105.19 115.24 3cx5 n GLY 68 Ca 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 3cx5 n GLY 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3cx5 h VAL 69 N 0.00 1.20 -0.55 1.61 3.04 -1.57 -0.60 116.25 119.38 3cx5 h VAL 69 Ca 0.00 -0.40 -0.05 0.00 -1.01 0.00 0.00 66.70 65.24 3cx5 h VAL 69 Cb 0.00 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.38 3cx5 h VAL 69 CO 0.00 0.20 0.14 0.28 -1.01 0.00 0.00 177.57 177.18 3cx5 h SER 70 N 1.02 0.83 -0.16 3.17 0.02 -1.91 -1.15 113.55 115.36 3cx5 h SER 70 Ca 0.27 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3cx5 h SER 70 Cb -0.08 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3cx5 h SER 70 CO -0.06 0.84 0.00 -1.13 -1.14 0.00 0.00 176.83 175.35 3cx5 h ASN 71 N 0.78 0.37 -0.10 3.07 -1.24 -1.68 -0.94 115.58 115.84 3cx5 h ASN 71 Ca 0.17 -0.06 -0.17 0.00 0.71 0.00 0.00 56.30 56.96 3cx5 h ASN 71 Cb 0.33 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 3cx5 h ASN 71 CO 0.00 0.44 -0.54 0.25 -1.29 0.00 0.00 177.43 176.29 3cx5 h LEU 72 N 0.39 0.76 -0.38 0.34 5.85 -0.55 -2.75 115.31 118.98 3cx5 h LEU 72 Ca 0.09 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3cx5 h LEU 72 Cb 0.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3cx5 h LEU 72 CO 0.01 1.15 0.13 -0.50 -0.34 0.00 0.00 178.44 178.88 3cx5 h TRP 73 N 0.53 0.60 -0.57 1.25 4.06 -0.45 -2.06 115.95 119.31 3cx5 h TRP 73 Ca 0.01 -0.06 0.09 0.00 2.06 0.00 0.00 58.89 61.00 3cx5 h TRP 73 Cb 1.10 -0.17 -0.07 0.00 -1.00 0.00 0.00 29.16 29.02 3cx5 h TRP 73 CO 0.06 0.56 0.18 -0.22 -3.56 0.00 0.00 178.44 175.46 3cx5 h LYS 74 N 0.46 0.34 0.00 0.49 3.64 -1.13 -1.80 116.57 118.58 3cx5 h LYS 74 Ca 0.12 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3cx5 h LYS 74 Cb 0.24 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3cx5 h LYS 74 CO -0.01 0.23 -0.42 -0.91 -2.27 0.00 0.00 179.45 176.07 3cx5 h ASN 75 N 0.35 0.00 0.90 4.20 2.35 -1.26 -1.85 115.58 120.27 3cx5 h ASN 75 Ca 0.28 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.86 3cx5 h ASN 75 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3cx5 h ASN 75 CO -0.31 0.42 -0.82 0.16 -1.65 0.00 0.00 177.43 175.23 3cx5 h ILE 76 N 0.00 1.54 -0.07 2.81 -0.00 -0.88 -1.43 117.51 119.49 3cx5 h ILE 76 Ca -0.00 -2.86 -0.12 0.00 -0.00 0.00 0.00 64.86 61.87 3cx5 h ILE 76 Cb 0.92 2.56 -0.01 0.00 -0.00 0.00 0.00 36.82 40.29 3cx5 h ILE 76 CO 0.05 0.81 -0.51 0.15 -0.00 0.00 0.00 178.15 178.65 3cx5 h PHE 77 N 0.00 0.21 -0.55 0.16 3.57 -1.13 -2.40 116.94 116.81 3cx5 h PHE 77 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3cx5 h PHE 77 Cb 1.50 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.19 3cx5 h PHE 77 CO 0.00 0.65 0.00 1.28 -2.23 0.00 0.00 178.31 178.01 3cx5 n LEU 78 N -3.94 3.11 -4.71 0.59 4.77 -0.72 -4.57 117.00 111.54 3cx5 n LEU 78 Ca -0.02 -1.53 -0.35 0.00 -0.03 0.00 0.00 56.01 54.08 3cx5 n LEU 78 Cb 0.54 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 41.36 3cx5 n LEU 78 CO 0.42 0.76 0.83 -0.24 -1.33 0.00 0.00 177.39 177.84 3cx5 n SER 79 N 1.21 1.55 -0.21 -1.43 2.88 -0.55 -4.70 113.62 112.37 3cx5 n SER 79 Ca 0.20 0.71 0.01 0.00 -1.33 0.00 0.00 58.87 58.45 3cx5 n SER 79 Cb 0.50 -1.53 0.12 0.00 -0.75 0.00 0.00 64.21 62.55 3cx5 n SER 79 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3cx5 h LYS 80 N -0.16 0.37 -0.27 -1.46 3.64 -1.89 0.34 116.57 117.14 3cx5 h LYS 80 Ca -0.49 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 3cx5 h LYS 80 Cb 1.32 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 3cx5 h LYS 80 CO 0.49 0.24 0.02 0.93 -2.27 0.00 0.00 179.45 178.87 3cx5 h GLU 81 N 0.38 0.11 -0.29 1.90 5.08 -1.94 0.31 114.58 120.13 3cx5 h GLU 81 Ca 0.32 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 3cx5 h GLU 81 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3cx5 h GLU 81 CO -0.34 0.07 -0.33 -0.97 -1.00 0.00 0.00 179.01 176.45 3cx5 h ASN 82 N 0.11 0.66 0.07 1.42 -1.24 -1.74 -2.86 115.58 112.00 3cx5 h ASN 82 Ca 0.13 -0.27 -0.20 0.00 0.71 0.00 0.00 56.30 56.67 3cx5 h ASN 82 Cb 0.15 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.02 3cx5 h ASN 82 CO -0.19 0.94 -0.73 0.28 -1.29 0.00 0.00 177.43 176.44 3cx5 h SER 83 N 0.54 0.68 -0.40 1.15 0.02 -0.46 -2.73 113.55 112.34 3cx5 h SER 83 Ca 0.06 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 3cx5 h SER 83 Cb 0.82 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 3cx5 h SER 83 CO 0.07 1.20 0.18 0.00 -1.14 0.00 0.00 176.83 177.14 3cx5 h ALA 84 N 0.79 0.52 -0.39 3.77 0.00 -0.37 0.29 119.26 123.87 3cx5 h ALA 84 Ca -0.03 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3cx5 h ALA 84 Cb 1.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3cx5 h ALA 84 CO 0.14 0.10 0.19 0.28 0.00 0.00 0.00 179.25 179.95 3cx5 h VAL 85 N 0.51 0.96 -0.60 0.00 2.07 -1.52 -0.96 116.25 116.71 3cx5 h VAL 85 Ca 0.14 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 3cx5 h VAL 85 Cb 0.15 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3cx5 h VAL 85 CO -0.02 0.07 0.12 0.00 0.02 0.00 0.00 177.57 177.76 3cx5 h ALA 86 N 1.21 0.79 -0.66 1.67 0.00 -1.15 -3.04 119.26 118.08 3cx5 h ALA 86 Ca 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3cx5 h ALA 86 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3cx5 h ALA 86 CO -0.13 0.53 0.21 0.00 0.00 0.00 0.00 179.25 179.86 3cx5 h ALA 87 N 1.02 1.12 -0.43 0.00 0.00 0.06 0.86 119.26 121.88 3cx5 h ALA 87 Ca 0.18 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3cx5 h ALA 87 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3cx5 h ALA 87 CO 0.01 0.61 0.29 0.87 0.00 0.00 0.00 179.25 181.03 3cx5 h LYS 88 N 0.98 0.31 -0.04 0.00 1.79 -1.07 0.23 116.57 118.77 3cx5 h LYS 88 Ca 0.22 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3cx5 h LYS 88 Cb 0.28 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3cx5 h LYS 88 CO -0.01 0.21 0.00 -1.91 -1.08 0.00 0.00 179.45 176.66 3cx5 n GLU 89 N -4.47 1.56 -2.48 3.15 4.07 -0.80 -4.92 120.64 116.74 3cx5 n GLU 89 Ca 0.06 -0.82 -0.06 0.00 -0.06 0.00 0.00 57.16 56.28 3cx5 n GLU 89 Cb 0.27 -1.46 0.01 0.00 -0.06 0.00 0.00 31.44 30.20 3cx5 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3cx5 n GLY 90 N 1.13 0.37 3.48 8.31 0.00 0.81 -5.05 105.19 114.23 3cx5 n GLY 90 Ca 0.19 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 3cx5 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cx5 s LEU 91 N -2.19 2.64 -0.06 0.99 1.02 0.23 -4.63 118.68 116.68 3cx5 s LEU 91 Ca 0.09 -0.65 0.05 0.00 0.02 0.00 0.00 54.13 53.64 3cx5 s LEU 91 Cb -0.04 -1.44 -0.01 0.00 0.02 0.00 0.00 46.19 44.72 3cx5 s LEU 91 CO 0.11 0.16 -0.23 0.00 0.02 0.00 0.00 176.35 176.40 3cx5 s ALA 92 N -1.32 2.03 -0.08 4.21 0.00 -0.28 -3.44 121.76 122.87 3cx5 s ALA 92 Ca 0.19 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 3cx5 s ALA 92 Cb -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3cx5 s ALA 92 CO 0.10 0.37 0.15 -0.51 0.00 0.00 0.00 175.76 175.87 3cx5 s LEU 93 N -0.06 4.35 -0.03 0.00 1.43 -1.26 -0.13 118.68 122.99 3cx5 s LEU 93 Ca -0.05 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 3cx5 s LEU 93 Cb -0.14 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.85 3cx5 s LEU 93 CO 0.04 0.36 0.08 -0.44 0.23 0.00 0.00 176.35 176.62 3cx5 s SER 94 N -1.32 -0.07 -0.13 2.29 0.01 -0.15 -5.00 113.70 109.32 3cx5 s SER 94 Ca 0.19 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.48 3cx5 s SER 94 Cb -0.12 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.32 3cx5 s SER 94 CO 0.09 -0.05 0.34 -0.55 0.41 0.00 0.00 173.24 173.47 3cx5 s SER 95 N -0.06 -0.36 -0.07 2.44 0.15 -1.26 0.17 113.70 114.71 3cx5 s SER 95 Ca -0.01 0.69 0.01 0.00 0.70 0.00 0.00 55.95 57.33 3cx5 s SER 95 Cb -0.01 0.67 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 3cx5 s SER 95 CO 0.00 -0.13 -0.06 0.21 1.20 0.00 0.00 173.24 174.46 3cx5 s ASN 96 N 0.43 1.51 -0.34 5.45 3.84 -1.12 -4.99 114.94 119.72 3cx5 s ASN 96 Ca -0.02 -0.19 -0.12 0.00 0.21 0.00 0.00 52.86 52.73 3cx5 s ASN 96 Cb -0.04 -0.61 -0.01 0.00 -0.55 0.00 0.00 41.25 40.03 3cx5 s ASN 96 CO -0.02 -0.07 0.23 -0.63 -2.79 0.00 0.00 177.10 173.81 3cx5 s ILE 97 N 1.22 5.17 0.09 -5.21 -1.09 -1.26 -1.82 121.20 118.30 3cx5 s ILE 97 Ca -0.05 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 3cx5 s ILE 97 Cb -0.14 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 3cx5 s ILE 97 CO -0.02 -0.00 0.05 -0.24 -1.23 0.00 0.00 174.94 173.50 3cx5 n SER 98 N 5.09 1.53 0.02 3.58 2.88 -0.57 -4.95 113.62 121.19 3cx5 n SER 98 Ca -0.13 -1.34 -0.20 0.00 -1.33 0.00 0.00 58.87 55.87 3cx5 n SER 98 Cb 0.50 0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.82 3cx5 n SER 98 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3cx5 h ARG 99 N 0.00 0.25 0.00 -1.46 3.08 -1.95 -1.81 114.38 112.48 3cx5 h ARG 99 Ca -0.06 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 3cx5 h ARG 99 Cb 0.22 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3cx5 h ARG 99 CO 0.10 1.20 -1.68 -0.25 -1.07 0.00 0.00 179.97 178.27 3cx5 n ASP 100 N -4.14 0.30 -3.79 7.04 8.00 -1.26 -1.28 116.55 121.42 3cx5 n ASP 100 Ca -0.17 0.12 -0.19 0.00 0.71 0.00 0.00 54.79 55.26 3cx5 n ASP 100 Cb 0.80 1.40 -0.09 0.00 -0.02 0.00 0.00 41.12 43.22 3cx5 n ASP 100 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3cx5 s PHE 101 N -3.40 1.62 -0.15 1.24 -0.12 -1.26 -2.64 117.98 113.26 3cx5 s PHE 101 Ca -0.06 -1.48 -0.11 0.00 -0.05 0.00 0.00 56.93 55.24 3cx5 s PHE 101 Cb 0.12 -0.79 0.05 0.00 -0.63 0.00 0.00 43.02 41.77 3cx5 s PHE 101 CO 0.87 -0.65 0.39 -1.14 -0.05 0.00 0.00 175.22 174.63 3cx5 s GLN 102 N -3.71 0.40 0.13 1.99 0.74 -0.40 -1.51 119.66 117.30 3cx5 s GLN 102 Ca 0.37 0.66 0.06 0.00 0.05 0.00 0.00 55.36 56.49 3cx5 s GLN 102 Cb 0.04 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 3cx5 s GLN 102 CO 0.20 -0.11 -0.13 -1.54 -0.55 0.00 0.00 175.29 173.15 3cx5 s SER 103 N 0.88 2.01 -0.24 6.67 1.04 -0.76 0.35 113.70 123.65 3cx5 s SER 103 Ca -0.05 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 3cx5 s SER 103 Cb -0.06 -0.06 0.11 0.00 0.10 0.00 0.00 66.02 66.10 3cx5 s SER 103 CO -0.07 -0.17 0.22 -0.31 0.98 0.00 0.00 173.24 173.89 3cx5 s TYR 104 N -2.38 -0.21 0.08 5.02 1.51 -0.61 -2.79 117.35 117.97 3cx5 s TYR 104 Ca 0.11 -0.12 0.09 0.00 -1.01 0.00 0.00 57.07 56.14 3cx5 s TYR 104 Cb -0.03 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 3cx5 s TYR 104 CO 0.03 -0.74 -0.21 0.42 -1.11 0.00 0.00 175.55 173.95 3cx5 s ILE 105 N 2.29 2.63 -0.09 2.71 1.09 0.13 -0.92 121.20 129.03 3cx5 s ILE 105 Ca 0.08 -1.41 0.03 0.00 -1.10 0.00 0.00 60.65 58.24 3cx5 s ILE 105 Cb -0.15 -2.14 0.01 0.00 -1.06 0.00 0.00 42.46 39.11 3cx5 s ILE 105 CO -0.23 0.22 -0.19 -0.69 -0.10 0.00 0.00 174.94 173.95 3cx5 s VAL 106 N -1.00 1.70 -0.03 2.92 1.01 0.57 -0.98 120.40 124.58 3cx5 s VAL 106 Ca 0.15 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3cx5 s VAL 106 Cb -0.10 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3cx5 s VAL 106 CO 0.07 0.48 -0.07 -0.44 0.00 0.00 0.00 175.10 175.13 3cx5 s SER 107 N 0.51 4.60 0.35 3.32 0.01 0.82 -1.31 113.70 122.00 3cx5 s SER 107 Ca -0.16 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 56.84 3cx5 s SER 107 Cb -0.17 -1.11 0.05 0.00 0.21 0.00 0.00 66.02 65.01 3cx5 s SER 107 CO 0.06 0.32 0.80 -0.94 0.41 0.00 0.00 173.24 173.90 3cx5 s SER 108 N -1.09 -0.04 0.71 2.44 1.04 -0.31 -1.12 113.70 115.33 3cx5 s SER 108 Ca 0.15 -1.02 -0.13 0.00 0.48 0.00 0.00 55.95 55.42 3cx5 s SER 108 Cb -0.11 0.80 0.03 0.00 0.10 0.00 0.00 66.02 66.84 3cx5 s SER 108 CO 0.04 -1.58 1.11 -0.76 0.98 0.00 0.00 173.24 173.04 3cx5 s LEU 109 N -3.07 3.26 0.60 2.42 2.01 -1.26 -0.11 118.68 122.53 3cx5 s LEU 109 Ca 0.15 1.99 0.29 0.00 0.01 0.00 0.00 54.13 56.57 3cx5 s LEU 109 Cb -0.05 -4.55 1.65 0.00 0.01 0.00 0.00 46.19 43.25 3cx5 s LEU 109 CO 0.10 -1.87 2.05 1.55 1.01 0.00 0.00 176.35 179.20 3cx5 h PRO 110 N -0.41 0.00 0.13 1.29 0.13 -1.82 -2.24 132.00 129.08 3cx5 h PRO 110 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 3cx5 h PRO 110 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3cx5 h PRO 110 CO 0.52 0.00 -1.42 0.78 -0.23 0.00 0.00 178.00 177.66 3cx5 h GLY 111 N 0.00 0.31 -1.75 1.56 0.00 -1.90 -3.32 103.07 97.97 3cx5 h GLY 111 Ca 0.10 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 3cx5 h GLY 111 CO -0.00 0.68 0.04 1.44 0.00 0.00 0.00 176.54 178.70 3cx5 n SER 112 N -3.49 2.28 0.23 0.19 7.64 -0.84 -4.31 113.62 115.32 3cx5 n SER 112 Ca -0.13 -2.18 0.06 0.00 1.01 0.00 0.00 58.87 57.64 3cx5 n SER 112 Cb 1.04 -0.54 0.55 0.00 -1.01 0.00 0.00 64.21 64.25 3cx5 n SER 112 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cx5 h THR 113 N 0.41 1.06 0.00 0.44 1.03 -1.66 -2.22 112.91 111.96 3cx5 h THR 113 Ca 0.04 -0.49 -0.16 0.00 -0.01 0.00 0.00 66.41 65.78 3cx5 h THR 113 Cb 0.95 1.27 -0.02 0.00 -1.07 0.00 0.00 68.15 69.27 3cx5 h THR 113 CO 0.11 0.14 -0.76 -0.78 -0.01 0.00 0.00 175.52 174.22 3cx5 h ASP 114 N 0.00 0.00 0.47 0.00 3.58 -1.91 -3.09 116.42 115.48 3cx5 h ASP 114 Ca -0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 3cx5 h ASP 114 Cb 0.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 3cx5 h ASP 114 CO 0.02 0.76 -0.32 0.11 -2.88 0.00 0.00 179.24 176.93 3cx5 h LYS 115 N 0.00 0.00 -0.16 0.28 6.56 -1.73 -2.58 116.57 118.95 3cx5 h LYS 115 Ca -0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 3cx5 h LYS 115 Cb 1.44 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.10 3cx5 h LYS 115 CO 0.10 0.32 -0.06 0.77 -2.06 0.00 0.00 179.45 178.51 3cx5 h SER 116 N 0.00 0.33 -0.95 0.86 0.02 -1.44 -2.77 113.55 109.60 3cx5 h SER 116 Ca -0.00 -0.40 0.03 0.00 -0.84 0.00 0.00 61.79 60.58 3cx5 h SER 116 Cb 0.64 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 3cx5 h SER 116 CO 0.04 0.65 0.62 -0.07 -1.14 0.00 0.00 176.83 176.94 3cx5 h LEU 117 N -0.00 1.04 -0.44 5.07 3.38 -1.50 0.34 115.31 123.20 3cx5 h LEU 117 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3cx5 h LEU 117 Cb 0.52 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3cx5 h LEU 117 CO 0.02 0.72 0.20 0.44 0.09 0.00 0.00 178.44 179.92 3cx5 h ASP 118 N 1.21 0.58 -0.25 -0.43 3.45 -1.42 0.38 116.42 119.95 3cx5 h ASP 118 Ca 0.37 -0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.67 3cx5 h ASP 118 Cb -0.02 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 3cx5 h ASP 118 CO -0.11 0.56 0.07 0.15 -1.57 0.00 0.00 179.24 178.34 3cx5 h PHE 119 N 0.57 0.40 -0.33 4.55 3.57 -1.14 0.12 116.94 124.69 3cx5 h PHE 119 Ca 0.15 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3cx5 h PHE 119 Cb 0.13 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3cx5 h PHE 119 CO -0.01 0.46 0.19 1.25 -2.23 0.00 0.00 178.31 177.98 3cx5 h LEU 120 N 0.23 0.32 -0.37 0.59 7.12 -0.72 0.13 115.31 122.61 3cx5 h LEU 120 Ca 0.08 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 3cx5 h LEU 120 Cb 0.25 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 3cx5 h LEU 120 CO -0.00 0.23 0.23 -1.13 -0.13 0.00 0.00 178.44 177.64 3cx5 h ASN 121 N 0.40 0.44 0.11 1.25 -0.00 -0.09 -2.23 115.58 115.46 3cx5 h ASN 121 Ca 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.39 3cx5 h ASN 121 Cb -0.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.20 3cx5 h ASN 121 CO -0.06 0.35 -0.09 -0.61 -0.00 0.00 0.00 177.43 177.02 3cx5 h GLN 122 N 0.49 -0.20 -0.28 6.67 4.15 -0.32 -0.79 115.11 124.82 3cx5 h GLN 122 Ca 0.13 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 3cx5 h GLN 122 Cb -0.02 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3cx5 h GLN 122 CO -0.03 -0.14 -0.00 0.77 -1.93 0.00 0.00 178.83 177.51 3cx5 h SER 123 N -0.21 0.39 -0.32 -0.69 0.02 -0.86 0.25 113.55 112.13 3cx5 h SER 123 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3cx5 h SER 123 Cb 0.20 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3cx5 h SER 123 CO -0.02 0.46 0.00 0.49 -1.14 0.00 0.00 176.83 176.63 3cx5 n PHE 124 N -4.31 0.65 0.00 3.45 3.72 -0.85 -4.54 117.46 115.57 3cx5 n PHE 124 Ca 0.01 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 3cx5 n PHE 124 Cb 0.22 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3cx5 n PHE 124 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3cx5 n ILE 125 N 0.17 0.00 -0.04 4.37 5.41 -0.31 -4.99 119.36 123.97 3cx5 n ILE 125 Ca 0.15 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.90 3cx5 n ILE 125 Cb 0.59 -0.34 -0.00 0.00 -0.71 0.00 0.00 39.64 39.18 3cx5 n ILE 125 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3cx5 h GLN 126 N 0.00 0.00 -7.28 0.38 -0.00 -1.33 -3.48 115.11 103.41 3cx5 h GLN 126 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.14 3cx5 h GLN 126 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 27.48 27.60 3cx5 h GLN 126 CO 0.00 0.00 0.34 -0.65 0.00 0.00 0.00 178.83 178.52 3cx5 s GLN 127 N -1.50 2.52 0.03 1.69 -0.21 0.82 -4.90 119.66 118.11 3cx5 s GLN 127 Ca -0.01 1.22 0.00 0.00 0.02 0.00 0.00 55.36 56.59 3cx5 s GLN 127 Cb 0.00 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.09 3cx5 s GLN 127 CO 0.02 -1.44 0.00 1.17 -2.12 0.00 0.00 175.29 172.91 3cx5 n LYS 128 N -3.09 0.00 0.00 2.91 3.00 -1.26 -4.70 118.16 115.02 3cx5 n LYS 128 Ca 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.50 3cx5 n LYS 128 Cb 0.53 0.00 0.44 0.00 0.00 0.00 0.00 35.03 36.00 3cx5 n LYS 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3cx5 n ALA 129 N -2.10 1.95 -0.01 3.14 0.00 -1.26 -2.28 120.51 119.94 3cx5 n ALA 129 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 3cx5 n ALA 129 Cb 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 3cx5 n ALA 129 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3cx5 h ASN 130 N 0.00 -0.06 1.41 0.00 4.21 -1.96 -3.24 115.58 115.95 3cx5 h ASN 130 Ca 0.00 -0.60 -0.11 0.00 1.21 0.00 0.00 56.30 56.80 3cx5 h ASN 130 Cb 0.36 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 3cx5 h ASN 130 CO 0.00 0.63 -0.60 -0.07 -1.29 0.00 0.00 177.43 176.09 3cx5 h LEU 131 N -0.80 0.00 -3.21 1.61 3.38 -1.95 -3.30 115.31 111.04 3cx5 h LEU 131 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 3cx5 h LEU 131 Cb 0.65 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.25 3cx5 h LEU 131 CO 0.01 0.49 0.33 0.18 0.09 0.00 0.00 178.44 179.55 3cx5 n LEU 132 N -3.18 5.23 -4.77 1.67 4.77 -0.97 -4.30 117.00 115.45 3cx5 n LEU 132 Ca 0.01 -2.74 -0.32 0.00 -0.03 0.00 0.00 56.01 52.93 3cx5 n LEU 132 Cb 0.74 -0.71 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3cx5 n LEU 132 CO 0.41 0.78 0.72 -0.94 -1.33 0.00 0.00 177.39 177.02 3cx5 s SER 133 N -0.57 4.85 0.19 -1.43 1.04 -1.22 -4.78 113.70 111.77 3cx5 s SER 133 Ca 0.39 1.88 -0.12 0.00 0.48 0.00 0.00 55.95 58.57 3cx5 s SER 133 Cb 0.32 -2.53 0.19 0.00 0.10 0.00 0.00 66.02 64.10 3cx5 s SER 133 CO 0.08 -1.81 1.73 0.28 0.98 0.00 0.00 173.24 174.51 3cx5 h SER 134 N -0.59 0.11 -0.09 7.02 0.02 -1.93 -0.60 113.55 117.49 3cx5 h SER 134 Ca -0.45 0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 60.42 3cx5 h SER 134 Cb 1.24 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 3cx5 h SER 134 CO 0.53 0.08 -0.50 0.28 -1.14 0.00 0.00 176.83 176.08 3cx5 h SER 135 N 0.31 0.72 -0.07 3.07 0.02 -1.98 -2.44 113.55 113.18 3cx5 h SER 135 Ca 0.25 -0.36 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 3cx5 h SER 135 Cb 0.31 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.65 3cx5 h SER 135 CO -0.29 1.09 -0.44 -1.13 -1.14 0.00 0.00 176.83 174.92 3cx5 h ASN 136 N 0.51 0.51 -0.22 3.07 -1.24 -1.81 -2.42 115.58 113.99 3cx5 h ASN 136 Ca 0.02 -0.66 -0.01 0.00 0.71 0.00 0.00 56.30 56.35 3cx5 h ASN 136 Cb 1.05 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.94 3cx5 h ASN 136 CO 0.10 1.10 0.08 0.15 -1.29 0.00 0.00 177.43 177.57 3cx5 h PHE 137 N -0.03 0.33 -0.58 0.67 3.57 -1.19 0.05 116.94 119.77 3cx5 h PHE 137 Ca -0.03 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 3cx5 h PHE 137 Cb 1.10 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3cx5 h PHE 137 CO 0.13 0.37 0.15 0.93 -2.23 0.00 0.00 178.31 177.66 3cx5 h GLU 138 N 0.19 0.91 -0.59 1.11 4.39 -1.54 0.21 114.58 119.27 3cx5 h GLU 138 Ca 0.07 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 3cx5 h GLU 138 Cb 0.18 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3cx5 h GLU 138 CO -0.01 0.84 0.01 0.00 -1.16 0.00 0.00 179.01 178.69 3cx5 h ALA 139 N 1.03 0.89 -0.33 3.43 0.00 -1.35 -0.89 119.26 122.05 3cx5 h ALA 139 Ca 0.18 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3cx5 h ALA 139 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3cx5 h ALA 139 CO -0.00 0.66 -0.32 1.15 0.00 0.00 0.00 179.25 180.73 3cx5 h THR 140 N 0.94 1.29 -0.32 0.00 2.02 -0.77 -2.03 112.91 114.03 3cx5 h THR 140 Ca 0.17 -1.49 0.01 0.00 0.77 0.00 0.00 66.41 65.87 3cx5 h THR 140 Cb 0.54 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3cx5 h THR 140 CO 0.03 0.49 0.19 0.50 0.37 0.00 0.00 175.52 177.10 3cx5 h LYS 141 N 0.59 0.38 -0.53 6.66 3.64 -0.39 -0.72 116.57 126.21 3cx5 h LYS 141 Ca 0.05 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3cx5 h LYS 141 Cb 0.90 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 3cx5 h LYS 141 CO 0.08 0.25 0.28 -0.22 -2.27 0.00 0.00 179.45 177.57 3cx5 h LYS 142 N 0.39 0.73 -0.18 1.90 3.64 -1.12 -1.33 116.57 120.60 3cx5 h LYS 142 Ca 0.13 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3cx5 h LYS 142 Cb -0.00 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3cx5 h LYS 142 CO -0.06 0.55 -0.06 1.03 -2.27 0.00 0.00 179.45 178.64 3cx5 h SER 143 N 0.74 0.36 0.78 4.20 0.87 -0.56 -2.66 113.55 117.27 3cx5 h SER 143 Ca 0.19 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.28 3cx5 h SER 143 Cb 0.04 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3cx5 h SER 143 CO -0.03 0.67 -0.38 -0.37 -0.53 0.00 0.00 176.83 176.19 3cx5 h VAL 144 N 0.05 0.93 -0.37 2.23 -1.51 -0.94 -2.20 116.25 114.43 3cx5 h VAL 144 Ca 0.04 -1.51 -0.05 0.00 -1.23 0.00 0.00 66.70 63.96 3cx5 h VAL 144 Cb 0.52 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3cx5 h VAL 144 CO 0.02 0.37 0.04 0.25 -1.23 0.00 0.00 177.57 177.03 3cx5 h LEU 145 N 0.00 0.61 -0.74 4.19 5.85 -1.16 0.63 115.31 124.69 3cx5 h LEU 145 Ca -0.00 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 3cx5 h LEU 145 Cb 0.88 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3cx5 h LEU 145 CO 0.05 0.73 -0.60 0.50 -0.34 0.00 0.00 178.44 178.78 3cx5 h LYS 146 N 0.46 0.10 0.52 1.25 3.64 -1.40 -1.75 116.57 119.39 3cx5 h LYS 146 Ca 0.11 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3cx5 h LYS 146 Cb 0.39 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3cx5 h LYS 146 CO 0.01 0.67 -0.25 0.37 -2.27 0.00 0.00 179.45 177.98 3cx5 h GLN 147 N 0.07 -0.67 -0.60 1.90 4.15 -1.06 -1.73 115.11 117.17 3cx5 h GLN 147 Ca -0.01 0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 3cx5 h GLN 147 Cb 1.08 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 3cx5 h GLN 147 CO 0.08 -0.38 0.19 0.28 -1.93 0.00 0.00 178.83 177.07 3cx5 h VAL 148 N -0.86 1.23 -0.82 2.39 2.07 -0.88 -2.27 116.25 117.10 3cx5 h VAL 148 Ca -0.07 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3cx5 h VAL 148 Cb 0.60 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3cx5 h VAL 148 CO 0.12 0.30 0.42 -0.61 0.02 0.00 0.00 177.57 177.82 3cx5 h GLN 149 N 0.89 1.17 -0.59 1.57 4.15 -1.25 -1.49 115.11 119.55 3cx5 h GLN 149 Ca 0.20 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.36 3cx5 h GLN 149 Cb 0.26 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 3cx5 h GLN 149 CO -0.01 0.88 -0.03 -0.44 -1.93 0.00 0.00 178.83 177.31 3cx5 h ASP 150 N 1.15 1.05 -0.25 -0.69 3.45 -0.90 -1.46 116.42 118.77 3cx5 h ASP 150 Ca 0.28 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 3cx5 h ASP 150 Cb 0.08 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 3cx5 h ASP 150 CO -0.04 1.11 0.10 0.15 -1.57 0.00 0.00 179.24 178.99 3cx5 h PHE 151 N 0.96 0.38 0.00 4.55 3.57 -1.10 0.34 116.94 125.64 3cx5 h PHE 151 Ca 0.17 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3cx5 h PHE 151 Cb 0.59 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3cx5 h PHE 151 CO 0.04 0.40 -0.29 1.49 -2.23 0.00 0.00 178.31 177.71 3cx5 h GLU 152 N 0.26 0.00 0.00 1.11 4.57 -1.23 -1.62 114.58 117.68 3cx5 h GLU 152 Ca 0.08 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.98 3cx5 h GLU 152 Cb 0.17 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 3cx5 h GLU 152 CO -0.01 0.29 -1.71 -3.47 -1.18 0.00 0.00 179.01 172.93 3cx5 n ASP 153 N -3.61 0.86 0.00 1.04 2.03 -0.55 -4.77 116.55 111.54 3cx5 n ASP 153 Ca -0.01 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.71 3cx5 n ASP 153 Cb 0.42 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 3cx5 n ASP 153 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3cx5 n ASN 154 N -3.03 3.55 -4.55 1.67 3.02 0.12 -4.92 115.26 111.12 3cx5 n ASN 154 Ca -0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.96 3cx5 n ASN 154 Cb 1.05 0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 40.50 3cx5 n ASN 154 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cx5 s ASP 155 N -2.71 6.73 0.03 6.41 -1.08 -0.61 -4.85 116.67 120.58 3cx5 s ASP 155 Ca 0.00 -2.12 -0.23 0.00 -0.52 0.00 0.00 52.55 49.68 3cx5 s ASP 155 Cb 0.00 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.76 3cx5 s ASP 155 CO 0.00 -1.24 1.42 0.45 0.52 0.00 0.00 175.17 176.32 3cx5 h HIS 156 N 8.43 0.18 -0.78 -5.34 3.86 -1.91 -0.97 115.15 118.61 3cx5 h HIS 156 Ca 0.32 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 3cx5 h HIS 156 Cb 0.93 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.32 3cx5 h HIS 156 CO 1.32 0.47 0.39 -1.00 0.86 0.00 0.00 177.93 179.97 3cx5 h PRO 157 N -0.17 1.10 0.07 2.45 0.13 -1.97 -1.09 132.00 132.53 3cx5 h PRO 157 Ca 0.02 -0.15 -0.25 0.00 -0.87 0.00 0.00 66.00 64.75 3cx5 h PRO 157 Cb 0.41 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.34 3cx5 h PRO 157 CO 0.01 0.84 -1.11 -0.91 -0.23 0.00 0.00 178.00 176.60 3cx5 h ASN 158 N 1.10 0.47 -0.86 1.44 2.35 -1.97 -2.36 115.58 115.77 3cx5 h ASN 158 Ca 0.27 -0.45 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 3cx5 h ASN 158 Cb 0.09 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3cx5 h ASN 158 CO -0.04 1.29 0.47 -0.09 -1.65 0.00 0.00 177.43 177.42 3cx5 h ARG 159 N 0.14 1.19 -0.44 0.81 2.43 -1.04 0.16 114.38 117.63 3cx5 h ARG 159 Ca -0.11 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 58.82 3cx5 h ARG 159 Cb 1.79 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 3cx5 h ARG 159 CO 0.19 0.87 -0.11 0.28 -1.51 0.00 0.00 179.97 179.69 3cx5 h VAL 160 N 1.19 1.27 -0.32 0.20 2.07 -1.18 -1.42 116.25 118.07 3cx5 h VAL 160 Ca 0.30 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3cx5 h VAL 160 Cb 0.03 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3cx5 h VAL 160 CO -0.05 0.42 -0.05 0.25 0.02 0.00 0.00 177.57 178.16 3cx5 h LEU 161 N 0.69 0.49 -0.58 2.57 5.85 -0.94 -0.70 115.31 122.68 3cx5 h LEU 161 Ca 0.11 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3cx5 h LEU 161 Cb 0.65 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3cx5 h LEU 161 CO 0.04 0.60 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.49 3cx5 h GLU 162 N 0.49 0.95 0.00 1.25 4.57 -0.68 -2.56 114.58 118.60 3cx5 h GLU 162 Ca 0.10 -0.38 -0.04 0.00 -1.18 0.00 0.00 59.36 57.87 3cx5 h GLU 162 Cb 0.39 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3cx5 h GLU 162 CO 0.02 1.04 -0.18 0.45 -1.18 0.00 0.00 179.01 179.16 3cx5 h HIS 163 N 0.83 0.00 -0.15 0.92 3.86 -0.48 -1.90 115.15 118.22 3cx5 h HIS 163 Ca 0.12 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3cx5 h HIS 163 Cb 0.73 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 3cx5 h HIS 163 CO 0.05 0.18 0.02 1.25 0.86 0.00 0.00 177.93 180.28 3cx5 h LEU 164 N 0.00 0.25 -0.66 2.43 6.46 -0.75 -1.47 115.31 121.58 3cx5 h LEU 164 Ca -0.00 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.47 3cx5 h LEU 164 Cb 0.64 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3cx5 h LEU 164 CO 0.02 0.46 0.35 0.45 -0.62 0.00 0.00 178.44 179.11 3cx5 h HIS 165 N 0.03 0.91 -0.41 1.25 3.86 -1.27 -0.53 115.15 118.99 3cx5 h HIS 165 Ca 0.05 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3cx5 h HIS 165 Cb 0.33 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3cx5 h HIS 165 CO 0.02 0.66 0.24 1.03 0.86 0.00 0.00 177.93 180.74 3cx5 h SER 166 N 0.90 0.38 0.33 2.45 0.87 -1.15 -1.34 113.55 115.99 3cx5 h SER 166 Ca 0.23 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.47 3cx5 h SER 166 Cb 0.05 -0.08 0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3cx5 h SER 166 CO -0.04 0.28 -1.43 0.00 -0.53 0.00 0.00 176.83 175.11 3cx5 h THR 167 N 0.48 1.32 -0.77 2.23 1.03 -1.21 -2.23 112.91 113.77 3cx5 h THR 167 Ca 0.16 -2.76 -0.02 0.00 -0.01 0.00 0.00 66.41 63.78 3cx5 h THR 167 Cb 0.01 3.02 -0.04 0.00 -1.07 0.00 0.00 68.15 70.07 3cx5 h THR 167 CO -0.08 0.82 0.39 0.00 -0.01 0.00 0.00 175.52 176.65 3cx5 h ALA 168 N 0.24 1.23 -0.18 0.00 0.00 -1.06 -3.06 119.26 116.43 3cx5 h ALA 168 Ca -0.23 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3cx5 h ALA 168 Cb 2.13 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 3cx5 h ALA 168 CO 0.26 0.60 -0.24 1.19 0.00 0.00 0.00 179.25 181.06 3cx5 n PHE 169 N -4.33 0.55 -1.55 0.00 3.01 -0.51 0.17 117.46 114.80 3cx5 n PHE 169 Ca 0.08 -1.48 -0.47 0.00 1.01 0.00 0.00 57.45 56.59 3cx5 n PHE 169 Cb 0.12 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.21 3cx5 n PHE 169 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cx5 n GLN 170 N -1.11 1.04 -1.64 -1.08 10.64 -0.84 -1.53 117.38 122.86 3cx5 n GLN 170 Ca 0.25 0.37 -0.16 0.00 -1.83 0.00 0.00 57.00 55.63 3cx5 n GLN 170 Cb 0.86 -1.71 -0.05 0.00 -0.86 0.00 0.00 30.24 28.47 3cx5 n GLN 170 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3cx5 n ASN 171 N 1.59 -4.85 -4.10 2.61 5.03 -1.26 -4.97 115.26 109.31 3cx5 n ASN 171 Ca 0.13 0.30 -0.15 0.00 0.87 0.00 0.00 54.58 55.72 3cx5 n ASN 171 Cb 0.28 -3.79 -0.12 0.00 -1.02 0.00 0.00 39.78 35.14 3cx5 n ASN 171 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3cx5 s THR 172 N -2.63 0.76 0.33 3.41 2.01 -0.58 -5.05 115.64 113.89 3cx5 s THR 172 Ca 0.00 -1.10 0.10 0.00 0.31 0.00 0.00 61.69 61.00 3cx5 s THR 172 Cb 0.00 -0.77 0.37 0.00 0.01 0.00 0.00 72.50 72.11 3cx5 s THR 172 CO 0.00 -0.28 1.59 -0.65 -0.69 0.00 0.00 174.62 174.59 3cx5 h PRO 173 N 4.55 0.05 0.00 4.92 0.11 -1.82 -0.42 132.00 139.39 3cx5 h PRO 173 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3cx5 h PRO 173 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cx5 h PRO 173 CO 0.41 0.03 0.00 -0.11 -0.21 0.00 0.00 178.00 178.13 3cx5 n LEU 174 N -5.34 0.00 0.18 2.35 7.94 -1.26 -3.03 117.00 117.84 3cx5 n LEU 174 Ca 0.29 0.43 0.12 0.00 -1.11 0.00 0.00 56.01 55.74 3cx5 n LEU 174 Cb 0.96 -0.43 0.19 0.00 0.53 0.00 0.00 43.42 44.68 3cx5 n LEU 174 CO -0.01 -0.24 0.73 0.77 -1.11 0.00 0.00 177.39 177.53 3cx5 h SER 175 N 0.00 0.00 -3.25 1.96 4.64 -1.18 -3.43 113.55 112.29 3cx5 h SER 175 Ca 0.00 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 3cx5 h SER 175 Cb 0.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3cx5 h SER 175 CO 0.00 0.00 0.56 -0.76 -0.87 0.00 0.00 176.83 175.76 3cx5 s LEU 176 N -5.78 4.39 0.42 5.97 2.01 -1.17 -3.85 118.68 120.67 3cx5 s LEU 176 Ca 0.07 2.06 -0.25 0.00 0.01 0.00 0.00 54.13 56.02 3cx5 s LEU 176 Cb 0.07 -3.58 -0.08 0.00 0.01 0.00 0.00 46.19 42.60 3cx5 s LEU 176 CO 0.67 -0.44 1.23 -2.16 1.01 0.00 0.00 176.35 176.65 3cx5 s PRO 177 N 0.77 3.94 0.42 1.29 0.04 -1.26 -4.79 135.00 135.41 3cx5 s PRO 177 Ca 0.57 1.97 0.15 0.00 0.04 0.00 0.00 61.00 63.73 3cx5 s PRO 177 Cb -0.30 -2.65 0.92 0.00 0.04 0.00 0.00 34.50 32.51 3cx5 s PRO 177 CO 0.31 -0.46 1.93 1.79 0.04 0.00 0.00 177.00 180.61 3cx5 h THR 178 N 2.27 1.13 0.00 1.26 1.35 -1.93 -2.56 112.91 114.44 3cx5 h THR 178 Ca -0.49 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3cx5 h THR 178 Cb 1.24 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3cx5 h THR 178 CO 0.62 0.25 -0.20 0.54 -0.25 0.00 0.00 175.52 176.48 3cx5 n ARG 179 N -4.16 0.15 0.00 4.72 3.00 -1.26 -4.45 116.66 114.66 3cx5 n ARG 179 Ca -0.02 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 3cx5 n ARG 179 Cb 0.31 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.13 3cx5 n ARG 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3cx5 n GLY 180 N 1.40 -0.49 3.58 -0.13 0.00 -0.97 -4.58 105.19 104.01 3cx5 n GLY 180 Ca 0.06 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 3cx5 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cx5 s THR 181 N -1.34 3.38 0.22 2.61 -4.23 -1.23 -4.85 115.64 110.19 3cx5 s THR 181 Ca 0.00 -1.31 -0.08 0.00 -1.18 0.00 0.00 61.69 59.12 3cx5 s THR 181 Cb 0.00 -2.59 0.16 0.00 1.34 0.00 0.00 72.50 71.40 3cx5 s THR 181 CO 0.00 0.08 1.77 -0.07 -0.54 0.00 0.00 174.62 175.86 3cx5 h LEU 182 N 3.49 0.38 -0.07 4.79 3.38 -1.94 0.42 115.31 125.76 3cx5 h LEU 182 Ca -0.49 0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3cx5 h LEU 182 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3cx5 h LEU 182 CO 0.53 0.22 -0.10 -0.33 0.09 0.00 0.00 178.44 178.85 3cx5 h GLU 183 N 0.53 -0.12 -0.03 1.13 3.07 -1.96 -0.91 114.58 116.29 3cx5 h GLU 183 Ca 0.33 0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 59.05 3cx5 h GLU 183 Cb 0.36 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 3cx5 h GLU 183 CO -0.27 -0.08 -0.67 0.66 -1.40 0.00 0.00 179.01 177.24 3cx5 h SER 184 N -0.13 0.15 -0.39 1.42 4.64 -1.78 -3.22 113.55 114.24 3cx5 h SER 184 Ca 0.06 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3cx5 h SER 184 Cb 0.22 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3cx5 h SER 184 CO -0.15 0.78 0.08 -0.07 -0.87 0.00 0.00 176.83 176.59 3cx5 h LEU 185 N 0.09 0.61 -0.31 5.97 4.07 -0.60 -2.64 115.31 122.50 3cx5 h LEU 185 Ca -0.01 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.70 3cx5 h LEU 185 Cb 1.19 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.77 3cx5 h LEU 185 CO 0.10 0.70 0.00 -1.84 -1.08 0.00 0.00 178.44 176.32 3cx5 n GLU 186 N -4.55 0.10 0.00 1.13 0.28 -0.37 -2.50 120.64 114.73 3cx5 n GLU 186 Ca -0.01 0.31 0.11 0.00 -0.16 0.00 0.00 57.16 57.41 3cx5 n GLU 186 Cb 0.22 -1.68 -0.01 0.00 1.43 0.00 0.00 31.44 31.40 3cx5 n GLU 186 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3cx5 n ASN 187 N -1.87 1.96 -4.74 -1.84 4.05 -1.03 -4.98 115.26 106.80 3cx5 n ASN 187 Ca 0.03 -1.48 -0.41 0.00 0.45 0.00 0.00 54.58 53.18 3cx5 n ASN 187 Cb 0.23 0.50 -0.04 0.00 1.23 0.00 0.00 39.78 41.69 3cx5 n ASN 187 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3cx5 s LEU 188 N -2.45 4.49 0.23 1.20 1.02 -1.03 -5.06 118.68 117.08 3cx5 s LEU 188 Ca 0.17 2.15 0.08 0.00 0.02 0.00 0.00 54.13 56.55 3cx5 s LEU 188 Cb 0.17 -3.61 -0.05 0.00 0.02 0.00 0.00 46.19 42.73 3cx5 s LEU 188 CO 0.57 -0.23 -0.12 0.68 0.02 0.00 0.00 176.35 177.26 3cx5 s VAL 189 N -0.39 1.73 0.38 -1.59 -7.23 -1.26 -5.03 120.40 107.01 3cx5 s VAL 189 Ca 0.49 -2.19 0.20 0.00 -1.81 0.00 0.00 61.98 58.66 3cx5 s VAL 189 Cb -0.30 -2.17 0.38 0.00 0.56 0.00 0.00 36.38 34.84 3cx5 s VAL 189 CO 0.36 -0.50 1.65 0.58 -0.31 0.00 0.00 175.10 176.89 3cx5 h VAL 190 N 2.47 0.24 -0.92 1.32 2.07 -1.97 0.23 116.25 119.69 3cx5 h VAL 190 Ca -0.39 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3cx5 h VAL 190 Cb 1.23 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3cx5 h VAL 190 CO 0.63 0.04 0.59 0.00 0.02 0.00 0.00 177.57 178.86 3cx5 h ALA 191 N 1.78 1.23 -0.96 1.67 0.00 -1.99 -1.79 119.26 119.20 3cx5 h ALA 191 Ca 0.76 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.64 3cx5 h ALA 191 Cb 1.97 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 3cx5 h ALA 191 CO -0.55 0.44 0.62 -0.44 0.00 0.00 0.00 179.25 179.32 3cx5 h ASP 192 N 1.14 1.11 -0.15 0.00 3.45 -0.93 0.42 116.42 121.46 3cx5 h ASP 192 Ca 0.37 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.79 3cx5 h ASP 192 Cb 0.04 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 3cx5 h ASP 192 CO -0.13 0.82 0.06 -0.07 -1.57 0.00 0.00 179.24 178.35 3cx5 h LEU 193 N 1.31 0.21 -0.55 1.55 -0.00 -1.34 -2.25 115.31 114.24 3cx5 h LEU 193 Ca 0.35 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 3cx5 h LEU 193 Cb -0.13 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 3cx5 h LEU 193 CO -0.07 0.32 0.36 -0.33 -0.00 0.00 0.00 178.44 178.71 3cx5 h GLU 194 N 0.08 0.73 -0.52 1.13 5.08 -0.86 -0.67 114.58 119.55 3cx5 h GLU 194 Ca 0.05 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3cx5 h GLU 194 Cb 0.17 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3cx5 h GLU 194 CO -0.00 0.49 0.29 0.77 -1.00 0.00 0.00 179.01 179.56 3cx5 h SER 195 N 0.74 0.45 -0.26 1.42 0.02 -0.81 0.51 113.55 115.61 3cx5 h SER 195 Ca 0.20 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3cx5 h SER 195 Cb -0.07 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3cx5 h SER 195 CO -0.04 0.31 0.06 0.15 -1.14 0.00 0.00 176.83 176.16 3cx5 h PHE 196 N 0.57 0.44 -0.24 3.45 3.04 -1.07 -1.99 116.94 121.14 3cx5 h PHE 196 Ca 0.22 -0.06 0.03 0.00 3.98 0.00 0.00 57.97 62.14 3cx5 h PHE 196 Cb 0.08 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.44 3cx5 h PHE 196 CO -0.08 0.51 0.07 0.00 -2.02 0.00 0.00 178.31 176.79 3cx5 h ALA 197 N 0.88 0.26 -0.05 2.41 0.00 -0.76 0.27 119.26 122.26 3cx5 h ALA 197 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3cx5 h ALA 197 Cb 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3cx5 h ALA 197 CO 0.00 -0.35 -0.13 -0.91 0.00 0.00 0.00 179.25 177.86 3cx5 h ASN 198 N 0.17 0.07 0.88 0.00 2.35 -0.84 0.05 115.58 118.26 3cx5 h ASN 198 Ca 0.11 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 3cx5 h ASN 198 Cb 0.09 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3cx5 h ASN 198 CO -0.13 0.21 -1.19 0.78 -1.65 0.00 0.00 177.43 175.45 3cx5 h ASN 199 N 0.07 0.00 0.00 5.81 4.21 -0.73 -3.43 115.58 121.51 3cx5 h ASN 199 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3cx5 h ASN 199 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3cx5 h ASN 199 CO 0.02 0.42 -0.91 1.41 -1.29 0.00 0.00 177.43 177.07 3cx5 n HIS 200 N -2.88 0.00 -1.44 1.19 8.25 0.88 -4.10 115.22 117.12 3cx5 n HIS 200 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 3cx5 n HIS 200 Cb 0.75 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.84 3cx5 n HIS 200 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3cx5 n PHE 201 N -2.16 2.71 -4.40 4.41 0.99 -0.01 -4.73 117.46 114.27 3cx5 n PHE 201 Ca 0.00 -2.42 -0.28 0.00 -0.00 0.00 0.00 57.45 54.75 3cx5 n PHE 201 Cb 0.46 -2.15 -0.12 0.00 -1.00 0.00 0.00 39.48 36.67 3cx5 n PHE 201 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3cx5 s LEU 202 N 1.66 2.40 0.43 4.37 1.43 -1.26 -4.85 118.68 122.86 3cx5 s LEU 202 Ca 0.52 -0.80 0.09 0.00 -1.03 0.00 0.00 54.13 52.91 3cx5 s LEU 202 Cb 0.14 -1.21 0.92 0.00 0.03 0.00 0.00 46.19 46.07 3cx5 s LEU 202 CO 0.01 0.15 2.05 -1.13 0.23 0.00 0.00 176.35 177.66 3cx5 h ASN 203 N 3.51 0.35 1.14 2.29 -1.24 -1.84 -0.84 115.58 118.96 3cx5 h ASN 203 Ca -0.49 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.51 3cx5 h ASN 203 Cb 1.19 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.15 3cx5 h ASN 203 CO 0.44 0.29 0.00 -1.54 -1.29 0.00 0.00 177.43 175.33 3cx5 n SER 204 N -4.46 0.68 -0.60 1.15 3.41 -1.26 -2.90 113.62 109.65 3cx5 n SER 204 Ca 0.01 0.60 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3cx5 n SER 204 Cb 0.10 -0.77 0.21 0.00 -0.26 0.00 0.00 64.21 63.49 3cx5 n SER 204 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3cx5 n ASN 205 N -2.18 3.15 -4.30 4.04 5.15 -0.36 -4.99 115.26 115.77 3cx5 n ASN 205 Ca 0.04 -3.13 -0.16 0.00 -0.60 0.00 0.00 54.58 50.74 3cx5 n ASN 205 Cb 0.34 -0.51 -0.10 0.00 -0.53 0.00 0.00 39.78 38.98 3cx5 n ASN 205 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cx5 s ALA 206 N -2.89 1.63 -0.16 5.20 0.00 -0.94 -0.60 121.76 124.00 3cx5 s ALA 206 Ca 0.38 -1.73 -0.07 0.00 0.00 0.00 0.00 51.96 50.54 3cx5 s ALA 206 Cb 0.32 0.66 0.07 0.00 0.00 0.00 0.00 23.12 24.17 3cx5 s ALA 206 CO 0.06 -0.33 0.35 0.08 0.00 0.00 0.00 175.76 175.91 3cx5 s VAL 207 N -3.59 -0.26 -0.21 0.00 1.01 -0.62 -4.60 120.40 112.13 3cx5 s VAL 207 Ca 0.29 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 3cx5 s VAL 207 Cb 0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 3cx5 s VAL 207 CO 0.08 0.07 0.60 0.54 0.00 0.00 0.00 175.10 176.39 3cx5 s VAL 208 N 1.87 5.04 0.11 2.92 0.11 -0.70 -0.81 120.40 128.94 3cx5 s VAL 208 Ca -0.05 1.12 0.04 0.00 -2.93 0.00 0.00 61.98 60.15 3cx5 s VAL 208 Cb -0.10 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.79 3cx5 s VAL 208 CO -0.11 0.11 0.10 0.68 -3.33 0.00 0.00 175.10 172.55 3cx5 s VAL 209 N 1.94 4.50 -0.10 2.04 -7.23 0.47 -1.26 120.40 120.75 3cx5 s VAL 209 Ca 0.27 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.51 3cx5 s VAL 209 Cb -0.16 -3.22 0.05 0.00 0.56 0.00 0.00 36.38 33.61 3cx5 s VAL 209 CO 0.10 0.03 0.10 -0.83 -0.31 0.00 0.00 175.10 174.19 3cx5 s GLY 210 N -2.67 0.21 0.28 2.32 0.00 0.19 -1.98 107.32 105.66 3cx5 s GLY 210 Ca 0.30 0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.15 3cx5 s GLY 210 CO 0.22 1.60 0.08 -0.51 0.00 0.00 0.00 173.10 174.50 3cx5 s THR 211 N 2.19 0.76 0.00 0.90 -4.23 -0.12 -0.34 115.64 114.81 3cx5 s THR 211 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3cx5 s THR 211 Cb -0.13 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3cx5 s THR 211 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3cx5 n GLY 212 N -0.54 0.33 3.42 3.99 0.00 -1.21 -0.92 105.19 110.26 3cx5 n GLY 212 Ca -0.01 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 3cx5 n GLY 212 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cx5 s ASN 213 N -4.00 7.02 -0.08 1.61 3.04 0.36 -0.29 114.94 122.59 3cx5 s ASN 213 Ca 0.00 -2.93 -0.22 0.00 0.04 0.00 0.00 52.86 49.75 3cx5 s ASN 213 Cb 0.00 -2.33 0.05 0.00 -1.54 0.00 0.00 41.25 37.43 3cx5 s ASN 213 CO 0.00 -0.67 0.51 0.27 -3.04 0.00 0.00 177.10 174.16 3cx5 s ILE 214 N 0.92 0.02 0.16 -5.21 -4.36 -1.26 -4.62 121.20 106.85 3cx5 s ILE 214 Ca 0.35 -0.16 -0.05 0.00 -0.26 0.00 0.00 60.65 60.52 3cx5 s ILE 214 Cb -0.06 -0.79 -0.06 0.00 1.25 0.00 0.00 42.46 42.81 3cx5 s ILE 214 CO -0.05 -0.09 0.41 -0.54 0.24 0.00 0.00 174.94 174.91 3cx5 s LYS 215 N -0.78 3.64 0.11 0.37 1.02 -1.26 -4.31 119.74 118.53 3cx5 s LYS 215 Ca -0.08 -0.04 -0.19 0.00 0.02 0.00 0.00 55.97 55.67 3cx5 s LYS 215 Cb -0.03 -2.81 -0.06 0.00 -0.52 0.00 0.00 37.83 34.40 3cx5 s LYS 215 CO 0.05 0.44 1.72 1.25 -0.92 0.00 0.00 175.35 177.88 3cx5 h HIS 216 N 2.73 0.32 -0.97 3.18 -0.00 -1.97 -2.89 115.15 115.54 3cx5 h HIS 216 Ca -0.46 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 59.94 3cx5 h HIS 216 Cb 1.17 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 28.42 3cx5 h HIS 216 CO 0.61 0.28 0.63 0.93 -0.00 0.00 0.00 177.93 180.38 3cx5 h GLU 217 N 0.27 1.19 -0.86 5.26 5.08 -1.98 0.14 114.58 123.68 3cx5 h GLU 217 Ca 0.08 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3cx5 h GLU 217 Cb 0.06 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 3cx5 h GLU 217 CO -0.01 0.79 0.56 0.22 -1.00 0.00 0.00 179.01 179.57 3cx5 h ASP 218 N 1.23 1.00 0.07 1.42 1.82 -1.94 -1.27 116.42 118.74 3cx5 h ASP 218 Ca 0.39 -0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.90 3cx5 h ASP 218 Cb 0.01 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 39.78 3cx5 h ASP 218 CO -0.13 0.73 -0.41 0.25 -1.61 0.00 0.00 179.24 178.08 3cx5 h LEU 219 N 1.17 0.23 -1.06 2.28 5.85 -1.18 -3.05 115.31 119.55 3cx5 h LEU 219 Ca 0.32 -0.98 -0.02 0.00 0.84 0.00 0.00 57.88 58.04 3cx5 h LEU 219 Cb -0.12 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3cx5 h LEU 219 CO -0.07 1.20 0.42 1.62 -0.34 0.00 0.00 178.44 181.27 3cx5 h VAL 220 N -0.69 1.23 -0.07 1.05 3.04 -0.69 -1.01 116.25 119.11 3cx5 h VAL 220 Ca -0.07 -0.58 -0.17 0.00 -1.01 0.00 0.00 66.70 64.87 3cx5 h VAL 220 Cb 1.32 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 3cx5 h VAL 220 CO 0.07 0.26 -0.69 0.78 -1.01 0.00 0.00 177.57 176.98 3cx5 h ASN 221 N 1.08 0.37 0.63 3.17 2.35 -1.37 0.20 115.58 122.01 3cx5 h ASN 221 Ca 0.27 -0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3cx5 h ASN 221 Cb 0.03 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3cx5 h ASN 221 CO -0.04 0.95 -0.51 0.28 -1.65 0.00 0.00 177.43 176.45 3cx5 h SER 222 N 0.22 0.00 0.11 5.81 0.02 -1.35 0.05 113.55 118.41 3cx5 h SER 222 Ca -0.02 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 3cx5 h SER 222 Cb 1.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.80 3cx5 h SER 222 CO 0.11 0.51 -0.73 0.40 -1.14 0.00 0.00 176.83 175.98 3cx5 h ILE 223 N 0.00 1.50 0.00 3.27 2.04 -1.05 -3.24 117.51 120.04 3cx5 h ILE 223 Ca -0.01 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.38 3cx5 h ILE 223 Cb 0.96 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 3cx5 h ILE 223 CO 0.07 0.68 0.00 1.21 0.00 0.00 0.00 178.15 180.11 3cx5 n GLU 224 N -4.21 0.04 -0.07 2.37 2.13 0.70 -2.46 120.64 119.13 3cx5 n GLU 224 Ca -0.15 0.27 -0.12 0.00 0.66 0.00 0.00 57.16 57.82 3cx5 n GLU 224 Cb 0.76 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.92 3cx5 n GLU 224 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3cx5 h SER 225 N 0.00 0.47 -3.63 4.31 0.87 -1.00 -3.45 113.55 111.12 3cx5 h SER 225 Ca 0.00 -0.42 -0.39 0.00 -1.23 0.00 0.00 61.79 59.76 3cx5 h SER 225 Cb 0.18 -0.13 0.16 0.00 -0.44 0.00 0.00 62.40 62.17 3cx5 h SER 225 CO 0.00 0.78 0.36 0.29 -0.53 0.00 0.00 176.83 177.73 3cx5 n LYS 226 N -4.53 -1.29 0.00 2.24 4.01 -1.03 -5.10 118.16 112.45 3cx5 n LYS 226 Ca -0.05 -1.84 0.00 0.00 -0.51 0.00 0.00 58.31 55.92 3cx5 n LYS 226 Cb 0.34 -1.25 0.00 0.00 -0.51 0.00 0.00 35.03 33.60 3cx5 n LYS 226 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3cx5 n ASN 227 N -3.84 0.00 -1.23 4.39 5.03 -1.26 -5.04 115.26 113.31 3cx5 n ASN 227 Ca 0.15 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.72 3cx5 n ASN 227 Cb 0.52 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.25 3cx5 n ASN 227 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3cx5 n LEU 228 N 0.00 0.00 0.00 3.41 7.94 -1.26 -4.97 117.00 122.12 3cx5 n LEU 228 Ca 0.00 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3cx5 n LEU 228 Cb 0.00 -2.67 0.00 0.00 0.53 0.00 0.00 43.42 41.28 3cx5 n LEU 228 CO 0.00 -2.27 0.00 -1.20 -1.11 0.00 0.00 177.39 172.81 3cx5 n SER 229 N -3.65 0.00 -2.83 1.96 7.64 -1.26 -5.12 113.62 110.36 3cx5 n SER 229 Ca 0.01 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 3cx5 n SER 229 Cb 0.40 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3cx5 n SER 229 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3cx5 n LEU 230 N -1.82 -7.33 -2.68 -3.43 -0.00 -1.26 -4.57 117.00 95.91 3cx5 n LEU 230 Ca 0.00 1.06 -0.07 0.00 -0.00 0.00 0.00 56.01 57.00 3cx5 n LEU 230 Cb 0.00 -3.11 0.01 0.00 -0.00 0.00 0.00 43.42 40.32 3cx5 n LEU 230 CO 0.00 -2.72 0.05 0.00 -0.00 0.00 0.00 177.39 174.72 3cx5 n GLN 231 N 0.50 -2.07 -3.61 1.96 6.02 -1.26 -4.71 117.38 114.21 3cx5 n GLN 231 Ca 0.02 1.91 -0.37 0.00 -0.01 0.00 0.00 57.00 58.56 3cx5 n GLN 231 Cb 0.19 -5.16 -0.06 0.00 1.02 0.00 0.00 30.24 26.23 3cx5 n GLN 231 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3cx5 s THR 232 N -2.41 5.15 0.00 5.09 -1.32 -1.26 -4.24 115.64 116.65 3cx5 s THR 232 Ca 0.21 0.56 0.00 0.00 -1.21 0.00 0.00 61.69 61.25 3cx5 s THR 232 Cb -0.06 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 3cx5 s THR 232 CO 0.67 0.48 0.00 0.61 -2.21 0.00 0.00 174.62 174.17 3cx5 n GLY 233 N 1.51 2.41 3.68 6.08 0.00 -1.26 -4.97 105.19 112.64 3cx5 n GLY 233 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3cx5 n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cx5 s THR 234 N -1.99 3.26 -0.04 2.61 2.01 -1.26 -5.01 115.64 115.22 3cx5 s THR 234 Ca 0.00 0.57 -0.04 0.00 0.31 0.00 0.00 61.69 62.53 3cx5 s THR 234 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3cx5 s THR 234 CO 0.00 -0.02 0.18 -0.54 -0.69 0.00 0.00 174.62 173.55 3cx5 s LYS 235 N 3.17 3.46 0.94 4.92 1.02 -1.26 -4.48 119.74 127.50 3cx5 s LYS 235 Ca 0.74 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 56.38 3cx5 s LYS 235 Cb -0.37 -3.12 0.16 0.00 -0.52 0.00 0.00 37.83 33.97 3cx5 s LYS 235 CO 0.32 0.70 1.09 -1.25 -0.92 0.00 0.00 175.35 175.29 3cx5 s PRO 236 N -1.66 0.88 0.56 -1.68 0.04 -1.26 -5.00 135.00 126.89 3cx5 s PRO 236 Ca 0.24 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.14 3cx5 s PRO 236 Cb -0.13 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 3cx5 s PRO 236 CO 0.14 -2.56 1.13 0.08 0.04 0.00 0.00 177.00 175.83 3cx5 s VAL 237 N -2.77 3.15 0.30 -0.36 1.01 -1.26 -5.07 120.40 115.41 3cx5 s VAL 237 Ca 0.65 0.69 0.09 0.00 0.00 0.00 0.00 61.98 63.40 3cx5 s VAL 237 Cb -0.20 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3cx5 s VAL 237 CO 0.59 -0.18 0.07 -0.76 0.00 0.00 0.00 175.10 174.81 3cx5 s LEU 238 N -3.98 3.24 0.00 3.92 2.01 -1.26 -5.15 118.68 117.46 3cx5 s LEU 238 Ca 0.72 -0.70 0.00 0.00 0.01 0.00 0.00 54.13 54.16 3cx5 s LEU 238 Cb -0.24 -1.73 0.00 0.00 0.01 0.00 0.00 46.19 44.23 3cx5 s LEU 238 CO 0.29 -0.15 0.00 2.29 1.01 0.00 0.00 176.35 179.80 3cx5 n LYS 239 N -1.02 0.00 -3.02 1.70 -0.00 -1.26 -5.17 118.16 109.39 3cx5 n LYS 239 Ca -0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.88 3cx5 n LYS 239 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.57 3cx5 n LYS 239 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3cx5 s LYS 240 N -1.43 4.47 0.64 -1.58 2.36 -1.26 -5.07 119.74 117.88 3cx5 s LYS 240 Ca 0.00 1.07 -0.16 0.00 -2.55 0.00 0.00 55.97 54.33 3cx5 s LYS 240 Cb 0.00 -3.14 -0.01 0.00 -1.05 0.00 0.00 37.83 33.63 3cx5 s LYS 240 CO 0.00 0.52 1.15 -1.59 1.55 0.00 0.00 175.35 176.98 3cx5 s LYS 241 N -1.40 2.80 0.37 4.03 0.00 -1.26 -4.62 119.74 119.66 3cx5 s LYS 241 Ca 0.38 1.59 -0.27 0.00 0.00 0.00 0.00 55.97 57.67 3cx5 s LYS 241 Cb -0.21 -1.93 -0.09 0.00 0.00 0.00 0.00 37.83 35.59 3cx5 s LYS 241 CO 0.24 -1.29 1.25 0.00 0.00 0.00 0.00 175.35 175.56 3cx5 s ALA 242 N -2.03 3.32 -0.02 0.59 0.00 -1.26 -4.83 121.76 117.54 3cx5 s ALA 242 Ca 0.71 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.83 3cx5 s ALA 242 Cb -0.25 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.44 3cx5 s ALA 242 CO 0.38 -0.63 -0.03 0.00 0.00 0.00 0.00 175.76 175.48 3cx5 s ALA 243 N -1.25 0.35 0.07 0.00 0.00 -1.26 -4.88 121.76 114.78 3cx5 s ALA 243 Ca 0.53 -0.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 3cx5 s ALA 243 Cb -0.36 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 3cx5 s ALA 243 CO 0.47 0.02 0.69 0.12 0.00 0.00 0.00 175.76 177.06 3cx5 s PHE 244 N 0.38 3.78 -0.12 0.00 5.36 -1.26 -4.27 117.98 121.85 3cx5 s PHE 244 Ca -0.04 1.40 -0.01 0.00 -0.96 0.00 0.00 56.93 57.33 3cx5 s PHE 244 Cb -0.07 -2.69 0.03 0.00 -0.34 0.00 0.00 43.02 39.95 3cx5 s PHE 244 CO -0.01 0.41 -0.05 -1.17 -1.46 0.00 0.00 175.22 172.94 3cx5 s LEU 245 N -0.55 1.14 -0.00 6.12 2.96 0.13 -5.00 118.68 123.46 3cx5 s LEU 245 Ca 0.34 -0.34 -0.31 0.00 -0.22 0.00 0.00 54.13 53.60 3cx5 s LEU 245 Cb -0.20 -0.76 -0.09 0.00 0.50 0.00 0.00 46.19 45.63 3cx5 s LEU 245 CO 0.21 -0.15 1.98 0.61 -1.32 0.00 0.00 176.35 177.68 3cx5 n GLY 246 N 4.98 1.74 0.98 7.98 0.00 -1.26 -4.47 105.19 115.14 3cx5 n GLY 246 Ca -0.11 0.83 -0.00 0.00 0.00 0.00 0.00 46.02 46.73 3cx5 n GLY 246 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cx5 n SER 247 N 7.63 -0.39 -3.49 1.61 3.41 -0.77 -4.95 113.62 116.66 3cx5 n SER 247 Ca 0.21 -1.18 -0.15 0.00 -0.26 0.00 0.00 58.87 57.50 3cx5 n SER 247 Cb 0.39 0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 64.93 3cx5 n SER 247 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3cx5 s GLU 248 N -2.01 1.07 -0.05 4.33 -1.05 -1.26 -1.26 118.70 118.47 3cx5 s GLU 248 Ca 0.06 -0.03 -0.00 0.00 -0.15 0.00 0.00 54.97 54.86 3cx5 s GLU 248 Cb -0.01 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.21 3cx5 s GLU 248 CO 0.01 -0.39 -0.01 0.54 0.95 0.00 0.00 175.26 176.35 3cx5 s VAL 249 N -2.14 0.39 -0.21 1.83 0.11 -0.47 -4.96 120.40 114.94 3cx5 s VAL 249 Ca -0.05 0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.03 3cx5 s VAL 249 Cb -0.00 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3cx5 s VAL 249 CO 0.00 0.23 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.75 3cx5 s ARG 250 N 1.43 2.96 -0.82 1.54 0.52 -1.26 -2.73 118.95 120.58 3cx5 s ARG 250 Ca -0.03 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 3cx5 s ARG 250 Cb -0.13 -2.81 0.32 0.00 0.52 0.00 0.00 34.95 32.85 3cx5 s ARG 250 CO -0.03 -0.29 1.33 1.28 0.02 0.00 0.00 175.30 177.61 3cx5 n LEU 251 N 4.65 5.76 -4.73 2.53 4.77 0.59 -4.99 117.00 125.57 3cx5 n LEU 251 Ca -0.18 -5.49 -0.42 0.00 -0.03 0.00 0.00 56.01 49.89 3cx5 n LEU 251 Cb 0.49 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 3cx5 n LEU 251 CO 0.26 2.12 1.20 -1.14 -1.33 0.00 0.00 177.39 178.50 3cx5 n ARG 252 N 0.16 2.58 -3.38 3.23 0.63 -1.26 -3.21 116.66 115.41 3cx5 n ARG 252 Ca 0.36 0.92 -0.17 0.00 -0.92 0.00 0.00 57.85 58.04 3cx5 n ARG 252 Cb 0.34 -2.68 -0.08 0.00 0.45 0.00 0.00 32.46 30.48 3cx5 n ARG 252 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3cx5 s ASP 253 N 0.44 1.40 0.00 6.15 -1.08 -0.22 -4.76 116.67 118.59 3cx5 s ASP 253 Ca 0.64 -1.27 0.11 0.00 -0.52 0.00 0.00 52.55 51.51 3cx5 s ASP 253 Cb -0.52 0.52 0.53 0.00 -1.46 0.00 0.00 42.92 41.98 3cx5 s ASP 253 CO 0.49 -0.31 1.27 0.47 0.52 0.00 0.00 175.17 177.61 3cx5 n ASP 254 N 4.66 0.00 0.01 -0.34 8.00 -1.26 -2.18 116.55 125.43 3cx5 n ASP 254 Ca 0.06 0.21 0.12 0.00 0.71 0.00 0.00 54.79 55.90 3cx5 n ASP 254 Cb 0.45 -0.33 0.33 0.00 -0.02 0.00 0.00 41.12 41.55 3cx5 n ASP 254 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3cx5 n THR 255 N -1.33 0.04 -3.07 -3.53 -2.24 -1.26 -4.87 114.28 98.02 3cx5 n THR 255 Ca 0.05 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 3cx5 n THR 255 Cb 0.10 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 3cx5 n THR 255 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3cx5 s LEU 256 N -3.15 4.20 0.23 3.22 1.43 -0.93 -5.00 118.68 118.69 3cx5 s LEU 256 Ca 0.11 1.42 0.24 0.00 -1.03 0.00 0.00 54.13 54.87 3cx5 s LEU 256 Cb 0.17 -3.88 0.93 0.00 0.03 0.00 0.00 46.19 43.45 3cx5 s LEU 256 CO 0.66 -0.10 1.72 -0.81 0.23 0.00 0.00 176.35 178.05 3cx5 n PRO 257 N 0.19 0.20 -4.03 1.29 -0.04 -1.26 -4.45 135.00 126.90 3cx5 n PRO 257 Ca 0.01 0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 63.64 3cx5 n PRO 257 Cb 0.52 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 3cx5 n PRO 257 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3cx5 n LYS 258 N -2.20 0.47 -4.97 0.54 5.02 -1.26 -4.71 118.16 111.05 3cx5 n LYS 258 Ca 0.03 -2.98 -0.32 0.00 -2.02 0.00 0.00 58.31 53.02 3cx5 n LYS 258 Cb 0.27 2.06 -0.17 0.00 -0.02 0.00 0.00 35.03 37.17 3cx5 n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cx5 s ALA 259 N -3.09 2.19 -0.15 7.82 0.00 -0.27 -1.25 121.76 127.00 3cx5 s ALA 259 Ca 0.27 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3cx5 s ALA 259 Cb 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3cx5 s ALA 259 CO 0.19 0.15 -0.17 -1.58 0.00 0.00 0.00 175.76 174.36 3cx5 s TRP 260 N 0.55 2.76 0.01 0.00 0.51 -0.46 -1.18 118.94 121.13 3cx5 s TRP 260 Ca -0.14 -1.11 0.02 0.00 -2.12 0.00 0.00 56.10 52.76 3cx5 s TRP 260 Cb -0.17 -1.87 -0.01 0.00 -0.81 0.00 0.00 33.47 30.61 3cx5 s TRP 260 CO 0.04 -0.50 -0.08 0.42 -0.51 0.00 0.00 176.95 176.32 3cx5 s ILE 261 N 0.81 0.58 -0.03 2.03 1.01 -0.34 -1.42 121.20 123.84 3cx5 s ILE 261 Ca -0.06 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.08 3cx5 s ILE 261 Cb -0.15 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.78 3cx5 s ILE 261 CO -0.00 0.00 -0.11 -0.44 0.00 0.00 0.00 174.94 174.39 3cx5 s SER 262 N -0.59 1.49 -0.07 3.58 0.01 -0.38 -0.41 113.70 117.32 3cx5 s SER 262 Ca -0.01 -0.24 -0.05 0.00 1.31 0.00 0.00 55.95 56.97 3cx5 s SER 262 Cb -0.05 -0.40 0.03 0.00 0.21 0.00 0.00 66.02 65.81 3cx5 s SER 262 CO 0.00 0.09 0.16 -0.22 0.41 0.00 0.00 173.24 173.69 3cx5 s LEU 263 N 0.15 1.06 0.17 2.44 0.20 0.14 -1.62 118.68 121.22 3cx5 s LEU 263 Ca -0.03 0.34 -0.21 0.00 0.69 0.00 0.00 54.13 54.92 3cx5 s LEU 263 Cb -0.09 0.51 0.05 0.00 -0.43 0.00 0.00 46.19 46.22 3cx5 s LEU 263 CO 0.01 -0.10 0.56 0.00 -0.29 0.00 0.00 176.35 176.54 3cx5 s ALA 264 N 0.58 -1.32 0.43 5.97 0.00 -0.50 -0.93 121.76 125.97 3cx5 s ALA 264 Ca -0.04 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.18 3cx5 s ALA 264 Cb -0.06 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3cx5 s ALA 264 CO -0.03 -0.78 0.28 0.14 0.00 0.00 0.00 175.76 175.37 3cx5 s VAL 265 N -3.80 2.37 0.06 0.00 -7.23 0.29 0.11 120.40 112.19 3cx5 s VAL 265 Ca 0.04 -1.54 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 3cx5 s VAL 265 Cb -0.01 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 33.94 3cx5 s VAL 265 CO -0.09 0.00 1.64 -0.70 -0.31 0.00 0.00 175.10 175.64 3cx5 s GLU 266 N -4.03 4.20 0.00 4.82 2.12 -1.26 -1.82 118.70 122.73 3cx5 s GLU 266 Ca 0.43 2.30 0.00 0.00 0.36 0.00 0.00 54.97 58.06 3cx5 s GLU 266 Cb 0.00 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.77 3cx5 s GLU 266 CO 0.24 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 3cx5 n GLY 267 N 3.99 1.88 3.53 -1.50 0.00 0.11 -4.68 105.19 108.52 3cx5 n GLY 267 Ca 0.16 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3cx5 n GLY 267 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cx5 s GLU 268 N 4.50 2.88 0.67 1.61 0.41 -1.26 -4.27 118.70 123.24 3cx5 s GLU 268 Ca 0.00 -0.59 -0.10 0.00 -0.41 0.00 0.00 54.97 53.87 3cx5 s GLU 268 Cb 0.00 -2.59 0.01 0.00 -1.78 0.00 0.00 34.13 29.77 3cx5 s GLU 268 CO 0.00 0.56 1.04 -1.25 -0.49 0.00 0.00 175.26 175.12 3cx5 s PRO 269 N -0.53 2.90 0.46 0.39 0.04 -1.25 -3.91 135.00 133.09 3cx5 s PRO 269 Ca 0.08 0.34 -0.24 0.00 0.04 0.00 0.00 61.00 61.22 3cx5 s PRO 269 Cb -0.12 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3cx5 s PRO 269 CO 0.02 -0.93 1.33 0.14 0.04 0.00 0.00 177.00 177.60 3cx5 s VAL 270 N -3.26 2.42 -0.79 -0.36 -7.23 0.23 -2.46 120.40 108.95 3cx5 s VAL 270 Ca 0.57 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 3cx5 s VAL 270 Cb -0.11 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.63 3cx5 s VAL 270 CO 0.50 0.03 0.00 -3.20 -0.31 0.00 0.00 175.10 172.12 3cx5 n ASN 271 N -0.32 -3.34 -4.86 4.85 4.05 -1.26 -4.87 115.26 109.52 3cx5 n ASN 271 Ca 0.06 0.06 -0.33 0.00 0.45 0.00 0.00 54.58 54.82 3cx5 n ASN 271 Cb 0.44 -2.30 -0.06 0.00 1.23 0.00 0.00 39.78 39.09 3cx5 n ASN 271 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 3cx5 s SER 272 N -2.71 6.71 0.57 1.20 0.15 -1.03 -4.97 113.70 113.63 3cx5 s SER 272 Ca 0.00 1.04 0.37 0.00 0.70 0.00 0.00 55.95 58.06 3cx5 s SER 272 Cb 0.00 -2.27 1.83 0.00 -1.71 0.00 0.00 66.02 63.86 3cx5 s SER 272 CO 0.00 -0.06 2.13 -0.65 1.20 0.00 0.00 173.24 175.86 3cx5 h PRO 273 N 2.71 0.00 -0.44 5.44 0.11 -1.95 -2.38 132.00 135.49 3cx5 h PRO 273 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cx5 h PRO 273 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cx5 h PRO 273 CO 0.68 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.56 3cx5 n ASN 274 N -2.97 4.04 -0.17 -2.05 5.03 -1.26 -4.71 115.26 113.17 3cx5 n ASN 274 Ca -0.01 -2.52 -0.03 0.00 0.87 0.00 0.00 54.58 52.89 3cx5 n ASN 274 Cb 0.17 -0.48 0.04 0.00 -1.02 0.00 0.00 39.78 38.49 3cx5 n ASN 274 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3cx5 h TYR 275 N 2.82 -0.33 0.09 3.10 3.20 -1.73 -0.81 116.97 123.30 3cx5 h TYR 275 Ca 0.00 0.05 -0.25 0.00 3.14 0.00 0.00 58.73 61.66 3cx5 h TYR 275 Cb 1.28 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.78 3cx5 h TYR 275 CO 0.55 -0.24 -1.14 0.74 -1.64 0.00 0.00 178.16 176.43 3cx5 h PHE 276 N -0.02 0.45 -0.66 -3.82 -1.00 -1.85 -2.86 116.94 107.19 3cx5 h PHE 276 Ca 0.25 -0.31 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 3cx5 h PHE 276 Cb 0.41 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 3cx5 h PHE 276 CO -0.46 1.21 0.36 0.28 -1.61 0.00 0.00 178.31 178.09 3cx5 h VAL 277 N 0.09 1.20 -0.32 -0.55 2.07 -1.79 0.59 116.25 117.55 3cx5 h VAL 277 Ca -0.11 -0.50 -0.18 0.00 0.82 0.00 0.00 66.70 66.74 3cx5 h VAL 277 Cb 1.85 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3cx5 h VAL 277 CO 0.19 0.22 -0.50 0.00 0.02 0.00 0.00 177.57 177.50 3cx5 h ALA 278 N 1.48 0.49 -0.23 1.67 0.00 -1.20 -1.11 119.26 120.35 3cx5 h ALA 278 Ca 0.23 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3cx5 h ALA 278 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3cx5 h ALA 278 CO -0.04 0.68 -0.31 0.87 0.00 0.00 0.00 179.25 180.45 3cx5 h LYS 279 N 0.70 0.48 -0.30 0.00 1.57 -1.19 -2.18 116.57 115.65 3cx5 h LYS 279 Ca 0.03 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.45 3cx5 h LYS 279 Cb 1.11 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3cx5 h LYS 279 CO 0.11 0.73 -0.43 1.25 -0.57 0.00 0.00 179.45 180.54 3cx5 h LEU 280 N 0.41 0.91 -0.83 2.94 6.46 -0.79 -2.18 115.31 122.23 3cx5 h LEU 280 Ca 0.05 -0.51 0.03 0.00 -0.12 0.00 0.00 57.88 57.34 3cx5 h LEU 280 Cb 0.74 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 3cx5 h LEU 280 CO 0.06 1.24 0.53 0.00 -0.62 0.00 0.00 178.44 179.65 3cx5 h ALA 281 N 0.70 1.09 -0.03 1.25 0.00 -1.02 -1.28 119.26 119.97 3cx5 h ALA 281 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3cx5 h ALA 281 Cb 1.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3cx5 h ALA 281 CO 0.10 0.37 -0.38 0.00 0.00 0.00 0.00 179.25 179.34 3cx5 h ALA 282 N 1.34 1.32 0.00 0.00 0.00 -1.29 -2.67 119.26 117.96 3cx5 h ALA 282 Ca 0.33 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3cx5 h ALA 282 Cb -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3cx5 h ALA 282 CO -0.11 0.50 -0.47 0.37 0.00 0.00 0.00 179.25 179.54 3cx5 h GLN 283 N 0.05 0.00 -0.44 0.00 5.75 -0.61 -0.72 115.11 119.15 3cx5 h GLN 283 Ca 0.00 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 3cx5 h GLN 283 Cb 0.69 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 3cx5 h GLN 283 CO 0.05 0.47 0.21 0.82 -2.65 0.00 0.00 178.83 177.73 3cx5 h ILE 284 N 0.00 0.94 0.00 2.39 2.04 -0.97 -2.84 117.51 119.07 3cx5 h ILE 284 Ca -0.00 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 3cx5 h ILE 284 Cb 0.97 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3cx5 h ILE 284 CO 0.06 0.08 -1.09 -0.26 0.00 0.00 0.00 178.15 176.94 3cx5 h PHE 285 N 0.41 0.00 0.00 1.37 0.04 -1.63 -3.45 116.94 113.68 3cx5 h PHE 285 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3cx5 h PHE 285 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3cx5 h PHE 285 CO -0.11 0.36 0.00 0.41 -0.60 0.00 0.00 178.31 178.37 3cx5 n GLY 286 N 1.29 1.05 3.44 -1.45 0.00 -0.28 -4.85 105.19 104.39 3cx5 n GLY 286 Ca -0.04 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3cx5 n GLY 286 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 s SER 287 N -4.00 3.45 -0.13 1.61 0.01 -1.26 -1.06 113.70 112.33 3cx5 s SER 287 Ca 0.00 -0.94 -0.15 0.00 1.31 0.00 0.00 55.95 56.17 3cx5 s SER 287 Cb 0.00 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.00 3cx5 s SER 287 CO 0.00 0.08 0.41 -0.47 0.41 0.00 0.00 173.24 173.67 3cx5 s TYR 288 N -2.04 -0.42 -0.26 2.43 6.14 0.31 -4.98 117.35 118.53 3cx5 s TYR 288 Ca 0.24 0.98 -0.02 0.00 0.64 0.00 0.00 57.07 58.91 3cx5 s TYR 288 Cb -0.07 0.16 0.08 0.00 0.42 0.00 0.00 41.96 42.55 3cx5 s TYR 288 CO 0.12 -0.27 0.07 1.21 0.64 0.00 0.00 175.55 177.32 3cx5 s ASN 289 N -0.11 3.47 0.59 4.32 3.04 -1.26 -1.89 114.94 123.10 3cx5 s ASN 289 Ca -0.03 -1.22 0.29 0.00 0.04 0.00 0.00 52.86 51.94 3cx5 s ASN 289 Cb -0.03 -0.68 1.56 0.00 -1.54 0.00 0.00 41.25 40.56 3cx5 s ASN 289 CO 0.02 -0.37 1.99 0.00 -3.04 0.00 0.00 177.10 175.70 3cx5 h ALA 290 N 8.20 1.98 -0.00 1.71 0.00 -1.42 -1.02 119.26 128.71 3cx5 h ALA 290 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3cx5 h ALA 290 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3cx5 h ALA 290 CO 0.41 -0.51 -0.27 1.19 0.00 0.00 0.00 179.25 180.07 3cx5 n PHE 291 N -3.72 0.00 -3.43 0.00 3.01 -1.26 -4.75 117.46 107.30 3cx5 n PHE 291 Ca 0.05 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.10 3cx5 n PHE 291 Cb 0.50 -0.31 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 3cx5 n PHE 291 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3cx5 s GLU 292 N -2.89 3.46 0.21 -1.08 0.41 -0.39 -5.00 118.70 113.42 3cx5 s GLU 292 Ca 0.15 -0.56 -0.15 0.00 -0.41 0.00 0.00 54.97 54.01 3cx5 s GLU 292 Cb 0.18 -3.83 0.22 0.00 -1.78 0.00 0.00 34.13 28.92 3cx5 s GLU 292 CO 0.60 -0.55 1.62 -1.35 -0.49 0.00 0.00 175.26 175.09 3cx5 h PRO 293 N 8.51 -0.03 -0.07 0.39 0.11 -1.85 -1.54 132.00 137.52 3cx5 h PRO 293 Ca -0.30 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 3cx5 h PRO 293 Cb 1.14 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3cx5 h PRO 293 CO 0.69 -0.02 -0.32 0.00 -0.21 0.00 0.00 178.00 178.14 3cx5 h ALA 294 N 1.53 1.34 -0.24 -0.75 0.00 -1.94 -2.81 119.26 116.41 3cx5 h ALA 294 Ca 0.30 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3cx5 h ALA 294 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3cx5 h ALA 294 CO -0.66 0.47 -0.03 1.03 0.00 0.00 0.00 179.25 180.05 3cx5 h SER 295 N 0.12 0.33 1.01 0.00 0.87 -1.56 -2.09 113.55 112.22 3cx5 h SER 295 Ca 0.02 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3cx5 h SER 295 Cb 0.62 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3cx5 h SER 295 CO 0.05 0.42 0.00 0.03 -0.53 0.00 0.00 176.83 176.79 3cx5 h ARG 296 N 0.35 0.00 -0.40 2.24 3.08 -1.26 -3.12 114.38 115.26 3cx5 h ARG 296 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3cx5 h ARG 296 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3cx5 h ARG 296 CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 3cx5 n LEU 297 N -2.30 3.35 -4.73 3.04 4.77 -0.79 -5.01 117.00 115.33 3cx5 n LEU 297 Ca 0.03 -1.46 -0.35 0.00 -0.03 0.00 0.00 56.01 54.20 3cx5 n LEU 297 Cb 0.30 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3cx5 n LEU 297 CO 0.24 0.73 0.84 -1.10 -1.33 0.00 0.00 177.39 176.77 3cx5 s GLN 298 N -1.48 2.42 -1.54 3.23 -0.21 -1.18 -4.88 119.66 116.02 3cx5 s GLN 298 Ca 0.39 1.86 -0.11 0.00 0.02 0.00 0.00 55.36 57.52 3cx5 s GLN 298 Cb 0.23 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.32 3cx5 s GLN 298 CO 0.31 -1.64 2.71 0.41 -2.12 0.00 0.00 175.29 174.97 3cx5 n GLY 299 N 0.55 4.21 2.95 3.09 0.00 -1.26 -4.81 105.19 109.93 3cx5 n GLY 299 Ca 0.14 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 3cx5 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cx5 s ILE 300 N 2.55 1.46 0.45 -0.61 1.01 -1.26 -5.02 121.20 119.77 3cx5 s ILE 300 Ca 0.62 -0.91 0.15 0.00 0.00 0.00 0.00 60.65 60.51 3cx5 s ILE 300 Cb 0.17 -1.59 0.33 0.00 0.01 0.00 0.00 42.46 41.37 3cx5 s ILE 300 CO -0.06 0.13 2.00 0.11 0.00 0.00 0.00 174.94 177.11 3cx5 h LYS 301 N 8.02 0.33 -0.25 2.79 1.57 -1.90 -1.33 116.57 125.81 3cx5 h LYS 301 Ca -0.26 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 3cx5 h LYS 301 Cb 1.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3cx5 h LYS 301 CO 0.45 0.22 0.17 1.25 -0.57 0.00 0.00 179.45 180.97 3cx5 h LEU 302 N 0.34 0.14 -2.03 2.94 5.85 -1.95 -1.92 115.31 118.69 3cx5 h LEU 302 Ca 0.24 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3cx5 h LEU 302 Cb 0.50 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3cx5 h LEU 302 CO -0.06 0.10 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.00 3cx5 h LEU 303 N 0.17 0.00 -0.73 2.25 3.38 -1.61 -1.82 115.31 116.95 3cx5 h LEU 303 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3cx5 h LEU 303 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3cx5 h LEU 303 CO -0.02 0.06 -0.38 0.44 0.09 0.00 0.00 178.44 178.64 3cx5 h ASP 304 N 0.00 0.56 0.05 -0.43 3.45 -1.49 -2.99 116.42 115.57 3cx5 h ASP 304 Ca -0.00 -0.24 -0.27 0.00 0.43 0.00 0.00 57.03 56.95 3cx5 h ASP 304 Cb 0.13 -0.16 0.02 0.00 -0.56 0.00 0.00 39.33 38.77 3cx5 h ASP 304 CO 0.01 0.89 -1.10 0.78 -1.57 0.00 0.00 179.24 178.25 3cx5 h ASN 305 N 0.45 0.89 0.76 6.45 -0.26 -1.45 -3.38 115.58 119.03 3cx5 h ASN 305 Ca 0.04 -0.77 0.00 0.00 -0.56 0.00 0.00 56.30 55.01 3cx5 h ASN 305 Cb 0.86 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 3cx5 h ASN 305 CO 0.07 1.55 -0.48 2.30 -1.06 0.00 0.00 177.43 179.82 3cx5 n ILE 306 N -3.85 0.18 0.10 2.81 -6.64 -0.88 -4.21 119.36 106.87 3cx5 n ILE 306 Ca -0.12 -0.13 0.05 0.00 -1.77 0.00 0.00 62.75 60.77 3cx5 n ILE 306 Cb 0.91 -0.04 -0.00 0.00 -1.44 0.00 0.00 39.64 39.07 3cx5 n ILE 306 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 3cx5 h GLN 307 N 0.00 0.00 -0.09 6.28 4.20 -1.70 -0.03 115.11 123.77 3cx5 h GLN 307 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3cx5 h GLN 307 Cb 0.62 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3cx5 h GLN 307 CO 0.00 0.24 -0.17 1.49 -0.67 0.00 0.00 178.83 179.72 3cx5 h GLU 308 N 0.00 -0.22 -0.32 1.46 4.81 -1.76 -2.66 114.58 115.89 3cx5 h GLU 308 Ca -0.06 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3cx5 h GLU 308 Cb 1.32 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3cx5 h GLU 308 CO 0.03 -0.15 0.00 0.66 -0.73 0.00 0.00 179.01 178.83 3cx5 n TYR 309 N -5.31 1.02 -3.68 0.92 4.02 -1.26 -5.01 117.16 107.87 3cx5 n TYR 309 Ca -0.03 -0.80 -0.29 0.00 -0.01 0.00 0.00 57.90 56.76 3cx5 n TYR 309 Cb 0.22 -0.30 0.01 0.00 -0.02 0.00 0.00 39.34 39.26 3cx5 n TYR 309 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3cx5 n GLN 310 N -0.19 -1.69 0.29 -0.72 -0.06 -1.00 -4.88 117.38 109.13 3cx5 n GLN 310 Ca 0.21 1.01 0.18 0.00 -2.00 0.00 0.00 57.00 56.40 3cx5 n GLN 310 Cb 0.87 -2.26 0.82 0.00 -4.06 0.00 0.00 30.24 25.61 3cx5 n GLN 310 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3cx5 h LEU 311 N 0.58 0.00 -7.38 1.69 4.07 -1.32 -3.44 115.31 109.51 3cx5 h LEU 311 Ca -0.60 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.36 3cx5 h LEU 311 Cb 1.40 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 43.04 3cx5 h LEU 311 CO 0.32 0.03 0.16 0.00 -1.08 0.00 0.00 178.44 177.87 3cx5 h ASP 313 N 2.06 0.04 -4.48 0.00 3.45 -1.51 -3.43 116.42 112.56 3cx5 h ASP 313 Ca -0.30 -0.07 0.17 0.00 0.43 0.00 0.00 57.03 57.26 3cx5 h ASP 313 Cb 1.28 -0.01 -0.17 0.00 -0.56 0.00 0.00 39.33 39.87 3cx5 h ASP 313 CO 0.35 1.06 0.62 0.54 -1.57 0.00 0.00 179.24 180.24 3cx5 s ASN 314 N -6.38 -0.27 0.10 6.45 4.22 -1.19 -1.15 114.94 116.71 3cx5 s ASN 314 Ca -0.04 -0.00 -0.18 0.00 -2.14 0.00 0.00 52.86 50.50 3cx5 s ASN 314 Cb 0.08 0.29 0.04 0.00 1.28 0.00 0.00 41.25 42.94 3cx5 s ASN 314 CO 0.82 -0.46 0.44 0.72 -2.04 0.00 0.00 177.10 176.58 3cx5 s PHE 315 N -2.84 -0.28 -0.19 1.54 -0.12 -0.79 -2.17 117.98 113.13 3cx5 s PHE 315 Ca 0.07 0.10 -0.08 0.00 -0.05 0.00 0.00 56.93 56.96 3cx5 s PHE 315 Cb -0.01 0.29 0.08 0.00 -0.63 0.00 0.00 43.02 42.74 3cx5 s PHE 315 CO -0.07 -0.67 0.43 0.54 -0.05 0.00 0.00 175.22 175.40 3cx5 s ASN 316 N -2.48 -0.42 0.27 1.98 4.22 -0.39 -0.53 114.94 117.60 3cx5 s ASN 316 Ca -0.00 0.98 -0.11 0.00 -2.14 0.00 0.00 52.86 51.59 3cx5 s ASN 316 Cb 0.01 1.11 -0.08 0.00 1.28 0.00 0.00 41.25 43.57 3cx5 s ASN 316 CO -0.08 -0.21 0.62 -1.00 -2.04 0.00 0.00 177.10 174.38 3cx5 s HIS 317 N 2.03 3.41 0.12 1.54 3.76 -0.22 -1.49 115.29 124.44 3cx5 s HIS 317 Ca -0.06 0.98 -0.05 0.00 -0.15 0.00 0.00 55.06 55.78 3cx5 s HIS 317 Cb -0.10 -2.35 -0.02 0.00 1.11 0.00 0.00 32.58 31.22 3cx5 s HIS 317 CO -0.13 0.19 0.15 -0.59 -0.85 0.00 0.00 174.74 173.51 3cx5 s PHE 318 N -1.92 0.51 -0.41 1.40 -0.12 0.13 -4.86 117.98 112.72 3cx5 s PHE 318 Ca 0.50 -0.92 0.05 0.00 -0.05 0.00 0.00 56.93 56.51 3cx5 s PHE 318 Cb -0.11 -0.24 0.19 0.00 -0.63 0.00 0.00 43.02 42.23 3cx5 s PHE 318 CO 0.21 -0.58 0.38 0.45 -0.05 0.00 0.00 175.22 175.63 3cx5 n SER 319 N -0.10 -0.34 -4.70 1.98 2.88 -1.26 -2.35 113.62 109.73 3cx5 n SER 319 Ca -0.09 -2.44 -0.42 0.00 -1.33 0.00 0.00 58.87 54.58 3cx5 n SER 319 Cb 0.63 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 3cx5 n SER 319 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3cx5 s LEU 320 N -0.21 4.33 -0.06 2.46 1.02 -0.02 -4.91 118.68 121.29 3cx5 s LEU 320 Ca 0.33 1.98 0.04 0.00 0.02 0.00 0.00 54.13 56.51 3cx5 s LEU 320 Cb 0.07 -3.57 -0.00 0.00 0.02 0.00 0.00 46.19 42.71 3cx5 s LEU 320 CO -0.18 -0.56 -0.20 -0.44 0.02 0.00 0.00 176.35 174.99 3cx5 s SER 321 N 1.35 2.55 0.44 2.29 0.01 -1.26 -1.07 113.70 118.01 3cx5 s SER 321 Ca 0.59 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 57.45 3cx5 s SER 321 Cb -0.29 -0.86 -0.02 0.00 0.21 0.00 0.00 66.02 65.07 3cx5 s SER 321 CO 0.26 0.16 0.11 -0.31 0.41 0.00 0.00 173.24 173.88 3cx5 s TYR 322 N 0.13 1.79 0.09 2.43 1.51 0.26 -4.63 117.35 118.93 3cx5 s TYR 322 Ca -0.08 -1.24 -0.22 0.00 -1.01 0.00 0.00 57.07 54.51 3cx5 s TYR 322 Cb -0.14 -1.24 -0.12 0.00 -0.11 0.00 0.00 41.96 40.34 3cx5 s TYR 322 CO 0.04 -0.21 1.70 -0.22 -1.11 0.00 0.00 175.55 175.75 3cx5 h LYS 323 N 1.66 0.12 0.00 -0.62 3.64 -1.94 0.66 116.57 120.08 3cx5 h LYS 323 Ca -0.37 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.89 3cx5 h LYS 323 Cb 1.28 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3cx5 h LYS 323 CO 0.59 0.14 -1.47 -0.25 -2.27 0.00 0.00 179.45 176.19 3cx5 n ASP 324 N -5.00 0.66 -0.61 4.20 8.00 -1.26 -4.45 116.55 118.10 3cx5 n ASP 324 Ca -0.06 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3cx5 n ASP 324 Cb 0.06 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3cx5 n ASP 324 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3cx5 n SER 325 N -2.73 0.00 -3.56 -2.24 2.88 -1.25 -4.83 113.62 101.89 3cx5 n SER 325 Ca -0.08 -0.61 -0.05 0.00 -1.33 0.00 0.00 58.87 56.80 3cx5 n SER 325 Cb 0.75 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.21 3cx5 n SER 325 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3cx5 s GLY 326 N -0.77 -0.03 -0.05 0.46 0.00 -1.25 -0.57 107.32 105.11 3cx5 s GLY 326 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.52 3cx5 s GLY 326 CO 0.00 0.43 -0.04 1.08 0.00 0.00 0.00 173.10 174.57 3cx5 s LEU 327 N -3.06 1.24 -0.14 0.66 1.43 -0.24 0.05 118.68 118.63 3cx5 s LEU 327 Ca 0.15 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3cx5 s LEU 327 Cb -0.03 -0.44 0.01 0.00 0.03 0.00 0.00 46.19 45.76 3cx5 s LEU 327 CO 0.05 -0.07 -0.21 0.86 0.23 0.00 0.00 176.35 177.21 3cx5 s TRP 328 N 1.04 2.58 -1.20 0.29 -0.00 -0.75 -0.84 118.94 120.05 3cx5 s TRP 328 Ca -0.09 -1.30 0.00 0.00 -0.00 0.00 0.00 56.10 54.71 3cx5 s TRP 328 Cb -0.14 -1.76 0.00 0.00 -0.00 0.00 0.00 33.47 31.57 3cx5 s TRP 328 CO -0.01 -0.60 0.00 0.41 -0.00 0.00 0.00 176.95 176.75 3cx5 n GLY 329 N 4.11 -0.76 3.47 5.86 0.00 -0.99 -0.55 105.19 116.32 3cx5 n GLY 329 Ca -0.20 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 3cx5 n GLY 329 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cx5 s PHE 330 N -4.00 0.27 0.09 1.61 -0.00 -0.11 -0.69 117.98 115.15 3cx5 s PHE 330 Ca 0.00 -0.63 0.07 0.00 -0.00 0.00 0.00 56.93 56.37 3cx5 s PHE 330 Cb 0.00 0.13 -0.03 0.00 -0.00 0.00 0.00 43.02 43.12 3cx5 s PHE 330 CO 0.00 -0.86 -0.19 -1.12 -0.00 0.00 0.00 175.22 173.05 3cx5 s SER 331 N -2.97 2.25 0.06 1.98 0.01 -0.56 -0.68 113.70 113.80 3cx5 s SER 331 Ca 0.17 -0.66 -0.17 0.00 1.31 0.00 0.00 55.95 56.60 3cx5 s SER 331 Cb 0.01 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.16 3cx5 s SER 331 CO 0.03 0.02 0.41 0.28 0.41 0.00 0.00 173.24 174.38 3cx5 s THR 332 N -1.18 0.06 -0.01 1.44 -1.32 0.45 -1.26 115.64 113.81 3cx5 s THR 332 Ca 0.04 -0.50 0.03 0.00 -1.21 0.00 0.00 61.69 60.05 3cx5 s THR 332 Cb -0.10 -1.01 -0.00 0.00 -1.51 0.00 0.00 72.50 69.88 3cx5 s THR 332 CO 0.03 -0.27 -0.10 0.00 -2.21 0.00 0.00 174.62 172.08 3cx5 s ALA 333 N -2.82 0.84 -0.09 11.08 0.00 -0.92 -1.19 121.76 128.66 3cx5 s ALA 333 Ca -0.03 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.35 3cx5 s ALA 333 Cb -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.91 3cx5 s ALA 333 CO -0.05 0.18 0.44 -0.08 0.00 0.00 0.00 175.76 176.25 3cx5 s THR 334 N -0.07 0.02 -1.57 0.00 -1.32 -0.32 -1.24 115.64 111.15 3cx5 s THR 334 Ca 0.01 -0.19 0.20 0.00 -1.21 0.00 0.00 61.69 60.50 3cx5 s THR 334 Cb -0.06 -0.70 -0.06 0.00 -1.51 0.00 0.00 72.50 70.18 3cx5 s THR 334 CO -0.00 -0.11 0.94 0.54 -2.21 0.00 0.00 174.62 173.79 3cx5 n ARG 335 N 1.85 1.23 -2.42 7.08 1.74 -1.26 -1.12 116.66 123.75 3cx5 n ARG 335 Ca -0.18 -0.67 -0.43 0.00 -0.77 0.00 0.00 57.85 55.80 3cx5 n ARG 335 Cb 0.56 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 3cx5 n ARG 335 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3cx5 n ASN 336 N -0.44 4.93 0.13 0.55 4.05 -1.26 -4.79 115.26 118.42 3cx5 n ASN 336 Ca 0.07 -3.02 0.11 0.00 0.45 0.00 0.00 54.58 52.19 3cx5 n ASN 336 Cb 0.38 -1.55 0.49 0.00 1.23 0.00 0.00 39.78 40.33 3cx5 n ASN 336 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 3cx5 n VAL 337 N 4.18 0.88 1.08 3.44 0.24 -1.26 -2.48 118.33 124.42 3cx5 n VAL 337 Ca 0.42 0.31 0.12 0.00 -2.04 0.00 0.00 64.34 63.14 3cx5 n VAL 337 Cb 0.39 -1.24 0.12 0.00 -1.47 0.00 0.00 33.84 31.64 3cx5 n VAL 337 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3cx5 n THR 338 N -2.20 0.00 -1.49 3.34 -2.24 -1.26 -4.30 114.28 106.13 3cx5 n THR 338 Ca 0.02 -0.22 0.07 0.00 -2.27 0.00 0.00 64.05 61.64 3cx5 n THR 338 Cb 0.19 0.99 0.13 0.00 -2.10 0.00 0.00 70.33 69.54 3cx5 n THR 338 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3cx5 n MET 339 N -0.19 1.05 -0.28 -0.78 2.00 -1.03 -4.75 117.12 113.14 3cx5 n MET 339 Ca 0.10 -2.47 0.02 0.00 0.00 0.00 0.00 57.70 55.35 3cx5 n MET 339 Cb 0.43 -1.24 0.23 0.00 0.00 0.00 0.00 33.22 32.64 3cx5 n MET 339 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 3cx5 h ILE 340 N 2.02 1.14 -0.74 2.02 2.04 -1.75 -1.42 117.51 120.82 3cx5 h ILE 340 Ca -0.02 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3cx5 h ILE 340 Cb 1.14 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3cx5 h ILE 340 CO 0.01 0.19 0.49 -2.24 0.00 0.00 0.00 178.15 176.60 3cx5 h ASP 341 N 1.06 0.74 -0.14 1.72 2.03 -1.86 -1.35 116.42 118.63 3cx5 h ASP 341 Ca 0.34 -0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.45 3cx5 h ASP 341 Cb 0.03 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 38.36 3cx5 h ASP 341 CO -0.10 0.50 -0.59 0.44 -1.03 0.00 0.00 179.24 178.46 3cx5 h ASP 342 N 0.86 0.84 0.24 4.15 5.19 -1.64 -1.27 116.42 124.79 3cx5 h ASP 342 Ca 0.30 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3cx5 h ASP 342 Cb 0.12 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.37 3cx5 h ASP 342 CO -0.09 1.24 -0.25 0.25 -3.12 0.00 0.00 179.24 177.27 3cx5 h LEU 343 N 0.56 -0.66 -0.16 1.55 6.46 -0.87 0.02 115.31 122.21 3cx5 h LEU 343 Ca 0.00 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3cx5 h LEU 343 Cb 1.18 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 41.33 3cx5 h LEU 343 CO 0.12 -0.36 0.07 0.40 -0.62 0.00 0.00 178.44 178.06 3cx5 h ILE 344 N -0.52 1.14 0.05 4.05 1.08 -1.32 -2.38 117.51 119.62 3cx5 h ILE 344 Ca -0.00 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.08 3cx5 h ILE 344 Cb 0.49 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3cx5 h ILE 344 CO -0.06 0.13 -0.21 -0.74 -0.69 0.00 0.00 178.15 176.58 3cx5 h HIS 345 N 0.12 -0.55 -0.89 1.37 2.76 -1.08 -0.71 115.15 116.17 3cx5 h HIS 345 Ca 0.05 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3cx5 h HIS 345 Cb 0.14 0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 3cx5 h HIS 345 CO -0.02 -0.30 0.51 0.74 -1.30 0.00 0.00 177.93 177.57 3cx5 h PHE 346 N -0.36 1.20 0.15 5.26 0.04 -0.98 -0.41 116.94 121.84 3cx5 h PHE 346 Ca 0.04 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3cx5 h PHE 346 Cb 0.41 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.17 3cx5 h PHE 346 CO -0.23 0.82 -0.07 1.15 -0.60 0.00 0.00 178.31 179.38 3cx5 h THR 347 N 1.24 0.93 0.00 -1.55 2.02 -1.20 -1.50 112.91 112.86 3cx5 h THR 347 Ca 0.32 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3cx5 h THR 347 Cb -0.01 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3cx5 h THR 347 CO -0.06 0.08 -0.29 -0.07 0.37 0.00 0.00 175.52 175.55 3cx5 h LEU 348 N -0.35 0.00 -0.75 2.58 4.07 -1.02 -1.17 115.31 118.67 3cx5 h LEU 348 Ca -0.02 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 3cx5 h LEU 348 Cb 0.28 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 3cx5 h LEU 348 CO 0.03 0.29 -0.19 0.11 -1.08 0.00 0.00 178.44 177.60 3cx5 h LYS 349 N 0.00 0.75 -0.50 1.13 1.79 -0.86 -1.18 116.57 117.70 3cx5 h LYS 349 Ca -0.00 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.11 3cx5 h LYS 349 Cb 0.53 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 3cx5 h LYS 349 CO 0.04 0.89 0.04 1.96 -1.08 0.00 0.00 179.45 181.29 3cx5 h GLN 350 N 0.66 0.85 -0.86 3.15 1.08 -0.44 -2.74 115.11 116.81 3cx5 h GLN 350 Ca 0.10 -0.25 0.03 0.00 -1.45 0.00 0.00 58.65 57.07 3cx5 h GLN 350 Cb 0.69 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.98 3cx5 h GLN 350 CO 0.05 0.87 0.57 -1.49 -0.95 0.00 0.00 178.83 177.88 3cx5 h TRP 351 N 0.72 1.05 -0.98 2.96 4.06 -0.86 -0.67 115.95 122.23 3cx5 h TRP 351 Ca 0.15 0.03 0.19 0.00 2.06 0.00 0.00 58.89 61.31 3cx5 h TRP 351 Cb 0.46 -0.35 -0.09 0.00 -1.00 0.00 0.00 29.16 28.18 3cx5 h TRP 351 CO 0.03 0.63 0.61 -0.91 -3.56 0.00 0.00 178.44 175.24 3cx5 h ASN 352 N 1.10 0.68 -0.11 -3.49 -0.26 -0.91 -1.27 115.58 111.31 3cx5 h ASN 352 Ca 0.33 0.08 0.03 0.00 -0.56 0.00 0.00 56.30 56.18 3cx5 h ASN 352 Cb -0.03 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.18 3cx5 h ASN 352 CO -0.09 0.26 0.09 0.03 -1.06 0.00 0.00 177.43 176.65 3cx5 h ARG 353 N 0.67 0.00 0.00 0.81 3.08 -1.04 -2.20 114.38 115.69 3cx5 h ARG 353 Ca 0.54 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.58 3cx5 h ARG 353 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3cx5 h ARG 353 CO -0.31 0.00 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.48 3cx5 h LEU 354 N 0.00 0.00 0.07 3.04 3.38 -1.31 0.10 115.31 120.59 3cx5 h LEU 354 Ca 0.05 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 3cx5 h LEU 354 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3cx5 h LEU 354 CO -0.00 0.04 -1.57 0.74 0.09 0.00 0.00 178.44 177.74 3cx5 h THR 355 N 0.00 1.07 0.00 0.22 2.02 -1.55 -3.23 112.91 111.43 3cx5 h THR 355 Ca -0.00 -2.79 -0.04 0.00 0.77 0.00 0.00 66.41 64.35 3cx5 h THR 355 Cb 0.09 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 3cx5 h THR 355 CO 0.01 0.76 -1.18 2.30 0.37 0.00 0.00 175.52 177.77 3cx5 n ILE 356 N -3.33 0.15 -1.21 3.11 -5.35 -0.98 -4.81 119.36 106.93 3cx5 n ILE 356 Ca -0.16 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 3cx5 n ILE 356 Cb 1.03 -0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 3cx5 n ILE 356 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3cx5 n SER 357 N -1.99 0.00 -4.68 7.28 3.41 0.16 -5.08 113.62 112.71 3cx5 n SER 357 Ca -0.04 -1.16 -0.45 0.00 -0.26 0.00 0.00 58.87 56.96 3cx5 n SER 357 Cb 0.48 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 3cx5 n SER 357 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3cx5 n VAL 358 N 0.00 0.25 -2.36 -3.33 3.14 -0.07 -4.95 118.33 111.00 3cx5 n VAL 358 Ca 0.00 -0.06 -0.27 0.00 -2.96 0.00 0.00 64.34 61.05 3cx5 n VAL 358 Cb 0.53 -1.57 0.03 0.00 -1.06 0.00 0.00 33.84 31.77 3cx5 n VAL 358 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3cx5 s THR 359 N 0.67 3.66 0.19 1.55 -4.23 -1.26 -4.99 115.64 111.23 3cx5 s THR 359 Ca 0.75 0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 61.20 3cx5 s THR 359 Cb -0.65 -3.46 0.11 0.00 1.34 0.00 0.00 72.50 69.84 3cx5 s THR 359 CO 0.40 -0.48 1.74 -0.78 -0.54 0.00 0.00 174.62 174.96 3cx5 h ASP 360 N -0.20 0.96 0.25 3.99 3.58 -1.99 -2.40 116.42 120.61 3cx5 h ASP 360 Ca -0.45 -0.19 -0.08 0.00 0.42 0.00 0.00 57.03 56.73 3cx5 h ASP 360 Cb 1.26 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 3cx5 h ASP 360 CO 0.61 0.89 -0.34 0.71 -2.88 0.00 0.00 179.24 178.23 3cx5 h THR 361 N 0.98 1.27 -0.50 2.25 1.35 -1.98 0.11 112.91 116.39 3cx5 h THR 361 Ca 0.22 -1.28 -0.09 0.00 -0.55 0.00 0.00 66.41 64.71 3cx5 h THR 361 Cb 0.25 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 3cx5 h THR 361 CO -0.01 0.38 -0.04 -0.33 -0.25 0.00 0.00 175.52 175.26 3cx5 h GLU 362 N 0.12 0.91 -0.45 4.72 5.08 -1.89 0.12 114.58 123.19 3cx5 h GLU 362 Ca 0.01 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 57.94 3cx5 h GLU 362 Cb 0.67 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3cx5 h GLU 362 CO 0.05 0.96 -0.19 0.28 -1.00 0.00 0.00 179.01 179.11 3cx5 h VAL 363 N 0.77 1.27 -0.28 3.13 2.07 -0.91 -1.50 116.25 120.80 3cx5 h VAL 363 Ca 0.14 -1.32 -0.15 0.00 0.82 0.00 0.00 66.70 66.18 3cx5 h VAL 363 Cb 0.58 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3cx5 h VAL 363 CO 0.03 0.45 -0.44 -0.33 0.02 0.00 0.00 177.57 177.31 3cx5 h GLU 364 N 0.78 0.70 -0.52 1.57 4.39 -0.58 -1.89 114.58 119.04 3cx5 h GLU 364 Ca 0.11 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 3cx5 h GLU 364 Cb 0.73 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3cx5 h GLU 364 CO 0.06 1.00 0.00 -0.09 -1.16 0.00 0.00 179.01 178.82 3cx5 h ARG 365 N 0.57 0.91 -0.78 2.33 2.43 -0.65 -2.90 114.38 116.29 3cx5 h ARG 365 Ca 0.04 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3cx5 h ARG 365 Cb 0.98 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 3cx5 h ARG 365 CO 0.09 0.94 0.46 0.00 -1.51 0.00 0.00 179.97 179.94 3cx5 h ALA 366 N 0.95 1.00 0.21 2.80 0.00 -1.12 -2.10 119.26 121.00 3cx5 h ALA 366 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3cx5 h ALA 366 Cb 0.52 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3cx5 h ALA 366 CO 0.03 0.49 -0.29 0.87 0.00 0.00 0.00 179.25 180.34 3cx5 h LYS 367 N 1.08 -0.55 -0.45 0.00 1.57 -1.17 0.11 116.57 117.17 3cx5 h LYS 367 Ca 0.28 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.15 3cx5 h LYS 367 Cb -0.01 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 3cx5 h LYS 367 CO -0.05 -0.37 0.18 0.77 -0.57 0.00 0.00 179.45 179.41 3cx5 h SER 368 N -0.57 0.22 0.53 0.86 0.02 -1.36 -1.08 113.55 112.17 3cx5 h SER 368 Ca 0.01 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 3cx5 h SER 368 Cb 0.55 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3cx5 h SER 368 CO -0.11 0.16 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.11 3cx5 h LEU 369 N 0.37 0.04 -0.27 5.07 3.38 -1.22 -2.49 115.31 120.18 3cx5 h LEU 369 Ca 0.21 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3cx5 h LEU 369 Cb 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3cx5 h LEU 369 CO -0.19 0.59 -0.11 0.25 0.09 0.00 0.00 178.44 179.06 3cx5 h LEU 370 N 0.02 0.57 -0.62 1.67 6.46 -0.27 -1.09 115.31 122.05 3cx5 h LEU 370 Ca -0.00 -0.40 0.07 0.00 -0.12 0.00 0.00 57.88 57.42 3cx5 h LEU 370 Cb 1.00 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.71 3cx5 h LEU 370 CO 0.07 0.84 0.31 0.11 -0.62 0.00 0.00 178.44 179.16 3cx5 h LYS 371 N 0.29 0.56 -0.79 1.25 1.57 -1.10 0.04 116.57 118.39 3cx5 h LYS 371 Ca 0.06 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3cx5 h LYS 371 Cb 0.62 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3cx5 h LYS 371 CO 0.04 0.37 0.29 1.25 -0.57 0.00 0.00 179.45 180.83 3cx5 h LEU 372 N 0.58 1.10 0.05 2.94 5.85 -1.29 0.49 115.31 125.03 3cx5 h LEU 372 Ca 0.29 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3cx5 h LEU 372 Cb 0.23 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3cx5 h LEU 372 CO -0.21 0.99 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.25 3cx5 h GLN 373 N 1.15 -0.06 -0.64 1.25 4.15 -0.19 -0.60 115.11 120.17 3cx5 h GLN 373 Ca 0.26 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 3cx5 h GLN 373 Cb 0.25 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3cx5 h GLN 373 CO -0.02 0.09 0.22 -0.07 -1.93 0.00 0.00 178.83 177.12 3cx5 h LEU 374 N -0.21 0.91 -0.86 -2.39 4.07 -0.92 -0.73 115.31 115.18 3cx5 h LEU 374 Ca -0.01 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 3cx5 h LEU 374 Cb 0.19 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.65 3cx5 h LEU 374 CO 0.01 0.87 0.51 1.23 -1.08 0.00 0.00 178.44 179.98 3cx5 h GLY 375 N 0.91 1.26 2.00 0.83 0.00 -0.81 0.25 103.07 107.51 3cx5 h GLY 375 Ca 0.21 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3cx5 h GLY 375 CO -0.01 0.51 -0.50 1.46 0.00 0.00 0.00 176.54 178.00 3cx5 h GLN 376 N 1.19 0.00 0.01 4.80 4.20 -0.71 0.35 115.11 124.96 3cx5 h GLN 376 Ca 0.31 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.96 3cx5 h GLN 376 Cb -0.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.75 3cx5 h GLN 376 CO -0.06 0.50 -0.25 1.25 -0.67 0.00 0.00 178.83 179.60 3cx5 h LEU 377 N 0.00 0.20 0.00 1.46 7.12 -0.28 -3.29 115.31 120.52 3cx5 h LEU 377 Ca -0.01 -0.83 -0.26 0.00 0.13 0.00 0.00 57.88 56.92 3cx5 h LEU 377 Cb 0.89 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.92 3cx5 h LEU 377 CO 0.07 1.00 -1.47 1.88 -0.13 0.00 0.00 178.44 179.79 3cx5 h TYR 378 N -0.58 0.00 -1.26 1.25 0.05 -0.55 -3.36 116.97 112.51 3cx5 h TYR 378 Ca -0.04 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.07 3cx5 h TYR 378 Cb 1.05 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 38.48 3cx5 h TYR 378 CO 0.20 0.96 0.55 0.39 -1.05 0.00 0.00 178.16 179.21 3cx5 n GLU 379 N -3.12 2.90 -2.07 4.88 1.02 0.12 -4.96 120.64 119.41 3cx5 n GLU 379 Ca -0.11 -3.58 -0.31 0.00 -0.02 0.00 0.00 57.16 53.13 3cx5 n GLU 379 Cb 1.00 -2.28 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 3cx5 n GLU 379 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3cx5 s SER 380 N -2.03 6.34 -0.20 1.62 0.15 -1.24 -4.81 113.70 113.53 3cx5 s SER 380 Ca 0.58 1.50 0.02 0.00 0.70 0.00 0.00 55.95 58.76 3cx5 s SER 380 Cb 0.47 -2.49 0.32 0.00 -1.71 0.00 0.00 66.02 62.61 3cx5 s SER 380 CO -0.12 -0.79 1.39 0.61 1.20 0.00 0.00 173.24 175.53 3cx5 n GLY 381 N -2.20 3.05 3.09 9.45 0.00 -1.26 -4.83 105.19 112.49 3cx5 n GLY 381 Ca 0.06 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3cx5 n GLY 381 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cx5 s ASN 382 N -0.10 3.50 0.27 1.61 3.84 -1.26 -5.01 114.94 117.78 3cx5 s ASN 382 Ca 0.26 -0.87 -0.03 0.00 0.21 0.00 0.00 52.86 52.43 3cx5 s ASN 382 Cb 0.22 -1.46 0.36 0.00 -0.55 0.00 0.00 41.25 39.82 3cx5 s ASN 382 CO 0.05 -0.07 1.89 -0.65 -2.79 0.00 0.00 177.10 175.53 3cx5 h PRO 383 N 7.90 1.06 -0.59 0.43 0.11 -1.94 -2.42 132.00 136.55 3cx5 h PRO 383 Ca -0.36 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3cx5 h PRO 383 Cb 1.11 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 3cx5 h PRO 383 CO 0.57 0.79 0.15 -0.39 -0.21 0.00 0.00 178.00 178.91 3cx5 h VAL 384 N 1.06 1.24 -0.30 3.15 -1.51 -1.95 0.83 116.25 118.77 3cx5 h VAL 384 Ca 0.27 -0.85 -0.03 0.00 -1.23 0.00 0.00 66.70 64.85 3cx5 h VAL 384 Cb 0.06 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 29.83 3cx5 h VAL 384 CO -0.04 0.32 0.06 0.78 -1.23 0.00 0.00 177.57 177.46 3cx5 h ASN 385 N 0.88 0.47 -0.43 4.19 -0.26 -1.92 -1.81 115.58 116.70 3cx5 h ASN 385 Ca 0.19 -0.25 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 3cx5 h ASN 385 Cb 0.31 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 3cx5 h ASN 385 CO -0.00 0.61 0.15 0.44 -1.06 0.00 0.00 177.43 177.57 3cx5 h ASP 386 N 0.32 0.66 -0.17 5.81 3.45 -1.09 -1.72 116.42 123.69 3cx5 h ASP 386 Ca 0.09 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3cx5 h ASP 386 Cb 0.33 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3cx5 h ASP 386 CO 0.00 0.63 0.08 0.00 -1.57 0.00 0.00 179.24 178.39 3cx5 h ALA 387 N 1.46 0.22 -0.28 3.45 0.00 -0.51 0.30 119.26 123.91 3cx5 h ALA 387 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3cx5 h ALA 387 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3cx5 h ALA 387 CO -0.01 -0.21 0.13 -0.91 0.00 0.00 0.00 179.25 178.25 3cx5 h ASN 388 N 0.15 0.36 -0.38 0.00 4.21 -1.05 -1.30 115.58 117.57 3cx5 h ASN 388 Ca 0.06 -0.13 -0.05 0.00 1.21 0.00 0.00 56.30 57.39 3cx5 h ASN 388 Cb 0.13 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 3cx5 h ASN 388 CO -0.01 0.40 0.05 -0.07 -1.29 0.00 0.00 177.43 176.51 3cx5 h LEU 389 N 0.31 0.61 0.06 1.61 3.38 -1.26 -1.81 115.31 118.21 3cx5 h LEU 389 Ca 0.09 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3cx5 h LEU 389 Cb 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3cx5 h LEU 389 CO -0.01 0.72 -0.03 0.25 0.09 0.00 0.00 178.44 179.46 3cx5 h LEU 390 N 0.48 -0.07 -0.49 1.67 7.12 -0.87 -2.13 115.31 121.02 3cx5 h LEU 390 Ca 0.11 -0.13 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 3cx5 h LEU 390 Cb 0.38 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 3cx5 h LEU 390 CO 0.01 0.08 0.30 1.23 -0.13 0.00 0.00 178.44 179.93 3cx5 h GLY 391 N -0.23 0.72 1.00 3.75 0.00 -1.25 -1.80 103.07 105.26 3cx5 h GLY 391 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3cx5 h GLY 391 CO 0.01 0.29 0.39 0.00 0.00 0.00 0.00 176.54 177.23 3cx5 h ALA 392 N 1.14 0.77 -0.22 3.60 0.00 -1.28 -2.19 119.26 121.08 3cx5 h ALA 392 Ca 0.18 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3cx5 h ALA 392 Cb -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3cx5 h ALA 392 CO -0.03 0.22 -0.35 0.93 0.00 0.00 0.00 179.25 180.03 3cx5 h GLU 393 N 0.82 0.62 0.00 0.00 5.08 -1.22 -2.88 114.58 117.00 3cx5 h GLU 393 Ca 0.22 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3cx5 h GLU 393 Cb -0.06 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3cx5 h GLU 393 CO -0.04 0.99 -0.16 -0.39 -1.00 0.00 0.00 179.01 178.40 3cx5 h VAL 394 N 0.32 0.60 -0.05 3.13 -1.51 -1.28 -0.60 116.25 116.87 3cx5 h VAL 394 Ca 0.02 -0.71 -0.19 0.00 -1.23 0.00 0.00 66.70 64.59 3cx5 h VAL 394 Cb 0.93 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3cx5 h VAL 394 CO 0.08 0.15 -0.78 -0.07 -1.23 0.00 0.00 177.57 175.72 3cx5 h LEU 395 N 0.00 0.44 0.03 4.19 3.38 -1.34 -1.11 115.31 120.91 3cx5 h LEU 395 Ca -0.00 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 3cx5 h LEU 395 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3cx5 h LEU 395 CO 0.02 1.06 -0.79 0.40 0.09 0.00 0.00 178.44 179.22 3cx5 h ILE 396 N 0.24 1.30 -0.11 1.22 2.04 -1.20 -3.41 117.51 117.59 3cx5 h ILE 396 Ca -0.04 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.51 3cx5 h ILE 396 Cb 1.37 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 3cx5 h ILE 396 CO 0.13 0.52 0.00 2.29 0.00 0.00 0.00 178.15 181.09 3cx5 n LYS 397 N -4.38 2.06 0.00 2.37 2.85 -0.28 -4.99 118.16 115.79 3cx5 n LYS 397 Ca -0.21 -1.48 0.00 0.00 -1.05 0.00 0.00 58.31 55.56 3cx5 n LYS 397 Cb 0.66 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.93 3cx5 n LYS 397 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3cx5 n GLY 398 N 0.03 2.80 3.62 2.58 0.00 -0.42 -4.93 105.19 108.86 3cx5 n GLY 398 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3cx5 n GLY 398 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cx5 s SER 399 N -3.77 0.43 -0.11 1.61 1.04 -1.26 -4.82 113.70 106.82 3cx5 s SER 399 Ca 0.00 -1.26 0.03 0.00 0.48 0.00 0.00 55.95 55.21 3cx5 s SER 399 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 3cx5 s SER 399 CO 0.00 -1.39 -0.23 -0.75 0.98 0.00 0.00 173.24 171.85 3cx5 s LYS 400 N -3.03 3.07 0.31 4.02 2.20 -1.26 -3.57 119.74 121.48 3cx5 s LYS 400 Ca 0.24 -0.86 -0.28 0.00 -0.36 0.00 0.00 55.97 54.71 3cx5 s LYS 400 Cb -0.02 -2.36 -0.09 0.00 -1.51 0.00 0.00 37.83 33.84 3cx5 s LYS 400 CO 0.15 0.14 1.07 -1.17 -0.36 0.00 0.00 175.35 175.18 3cx5 s LEU 401 N 0.46 4.45 0.38 5.43 2.96 -1.26 -5.04 118.68 126.05 3cx5 s LEU 401 Ca -0.15 2.19 -0.07 0.00 -0.22 0.00 0.00 54.13 55.87 3cx5 s LEU 401 Cb -0.17 -3.77 -0.05 0.00 0.50 0.00 0.00 46.19 42.69 3cx5 s LEU 401 CO 0.06 -0.21 0.69 -0.94 -1.32 0.00 0.00 176.35 174.63 3cx5 s SER 402 N -1.08 6.45 0.37 3.68 1.04 -1.26 -4.97 113.70 117.93 3cx5 s SER 402 Ca 0.48 0.93 0.06 0.00 0.48 0.00 0.00 55.95 57.89 3cx5 s SER 402 Cb -0.29 -2.24 0.74 0.00 0.10 0.00 0.00 66.02 64.33 3cx5 s SER 402 CO 0.37 -0.35 1.98 -0.07 0.98 0.00 0.00 173.24 176.14 3cx5 h LEU 403 N 1.22 0.50 -0.63 2.42 -0.00 -1.98 -1.07 115.31 115.76 3cx5 h LEU 403 Ca -0.47 -0.05 0.06 0.00 -0.00 0.00 0.00 57.88 57.42 3cx5 h LEU 403 Cb 1.19 -0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 41.67 3cx5 h LEU 403 CO 0.64 0.45 0.34 1.23 -0.00 0.00 0.00 178.44 181.10 3cx5 h GLY 404 N 0.70 0.92 1.24 0.83 0.00 -1.99 0.44 103.07 105.21 3cx5 h GLY 404 Ca 0.14 -0.24 -0.24 0.00 0.00 0.00 0.00 47.33 46.99 3cx5 h GLY 404 CO -0.02 0.14 -0.93 0.83 0.00 0.00 0.00 176.54 176.57 3cx5 h GLU 405 N 0.64 0.70 -0.07 4.80 4.39 -1.85 -2.85 114.58 120.35 3cx5 h GLU 405 Ca 0.28 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3cx5 h GLU 405 Cb 0.18 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3cx5 h GLU 405 CO -0.18 1.27 0.05 0.00 -1.16 0.00 0.00 179.01 178.99 3cx5 h ALA 406 N 0.51 0.09 -0.68 3.43 0.00 -0.73 -1.99 119.26 119.89 3cx5 h ALA 406 Ca -0.09 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3cx5 h ALA 406 Cb 1.56 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 3cx5 h ALA 406 CO 0.18 -0.40 0.45 0.74 0.00 0.00 0.00 179.25 180.22 3cx5 h PHE 407 N 0.08 0.80 -0.46 0.00 -1.00 -0.20 -1.15 116.94 115.01 3cx5 h PHE 407 Ca 0.03 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 3cx5 h PHE 407 Cb 0.01 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.28 3cx5 h PHE 407 CO -0.07 0.47 -0.02 -0.22 -1.61 0.00 0.00 178.31 176.87 3cx5 h LYS 408 N 0.84 0.82 -0.45 1.51 3.64 -1.21 -1.35 116.57 120.36 3cx5 h LYS 408 Ca 0.27 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3cx5 h LYS 408 Cb 0.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3cx5 h LYS 408 CO -0.07 0.89 0.16 0.87 -2.27 0.00 0.00 179.45 179.02 3cx5 h LYS 409 N 0.67 0.69 -0.36 1.90 1.57 -0.70 -2.70 116.57 117.64 3cx5 h LYS 409 Ca 0.13 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3cx5 h LYS 409 Cb 0.53 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3cx5 h LYS 409 CO 0.03 0.65 0.23 0.82 -0.57 0.00 0.00 179.45 180.61 3cx5 h ILE 410 N 0.59 1.10 0.00 1.86 2.04 -1.11 -2.33 117.51 119.66 3cx5 h ILE 410 Ca 0.15 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3cx5 h ILE 410 Cb 0.23 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3cx5 h ILE 410 CO -0.01 0.10 0.00 0.44 0.00 0.00 0.00 178.15 178.68 3cx5 h ASP 411 N 0.49 0.00 1.17 1.72 3.45 -1.16 -2.32 116.42 119.77 3cx5 h ASP 411 Ca 0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3cx5 h ASP 411 Cb -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3cx5 h ASP 411 CO -0.03 0.00 -0.35 0.00 -1.57 0.00 0.00 179.24 177.29 3cx5 h ALA 412 N 2.04 0.77 -2.61 3.45 0.00 -1.08 -3.46 119.26 118.36 3cx5 h ALA 412 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3cx5 h ALA 412 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.13 3cx5 h ALA 412 CO 0.00 0.00 0.87 0.42 0.00 0.00 0.00 179.25 180.54 3cx5 s ILE 413 N -3.15 2.62 0.44 0.00 1.01 -0.88 -5.02 121.20 116.23 3cx5 s ILE 413 Ca 0.08 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.25 3cx5 s ILE 413 Cb 0.13 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3cx5 s ILE 413 CO 0.67 0.04 0.22 0.42 0.00 0.00 0.00 174.94 176.28 3cx5 s THR 414 N 1.08 2.18 0.29 2.92 -4.23 -1.26 -5.01 115.64 111.62 3cx5 s THR 414 Ca 0.69 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 3cx5 s THR 414 Cb -0.44 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 70.80 3cx5 s THR 414 CO 0.32 0.00 1.93 0.58 -0.54 0.00 0.00 174.62 176.91 3cx5 h VAL 415 N 1.29 1.21 -0.05 2.29 2.07 -1.95 -1.71 116.25 119.41 3cx5 h VAL 415 Ca -0.42 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 3cx5 h VAL 415 Cb 1.26 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3cx5 h VAL 415 CO 0.67 0.23 -0.31 0.11 0.02 0.00 0.00 177.57 178.29 3cx5 h LYS 416 N 1.03 0.09 -0.33 1.57 1.57 -1.97 -1.12 116.57 117.41 3cx5 h LYS 416 Ca 0.27 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 3cx5 h LYS 416 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3cx5 h LYS 416 CO -0.05 0.40 -0.30 -0.44 -0.57 0.00 0.00 179.45 178.49 3cx5 h ASP 417 N 0.08 0.84 -0.39 0.86 3.32 -1.72 -0.85 116.42 118.55 3cx5 h ASP 417 Ca 0.01 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 3cx5 h ASP 417 Cb 0.60 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3cx5 h ASP 417 CO 0.04 1.12 0.03 0.58 -1.72 0.00 0.00 179.24 179.29 3cx5 h VAL 418 N 0.56 1.25 -0.43 -1.35 2.07 -1.12 -1.18 116.25 116.06 3cx5 h VAL 418 Ca 0.06 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 3cx5 h VAL 418 Cb 0.87 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3cx5 h VAL 418 CO 0.08 0.32 -0.05 0.11 0.02 0.00 0.00 177.57 178.04 3cx5 h LYS 419 N 0.50 0.73 -0.42 1.57 1.57 -1.19 0.42 116.57 119.75 3cx5 h LYS 419 Ca 0.11 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 3cx5 h LYS 419 Cb 0.42 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3cx5 h LYS 419 CO 0.01 0.78 -0.27 0.00 -0.57 0.00 0.00 179.45 179.40 3cx5 h ALA 420 N 1.27 0.60 -0.37 3.86 0.00 -1.01 -1.14 119.26 122.46 3cx5 h ALA 420 Ca 0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3cx5 h ALA 420 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3cx5 h ALA 420 CO 0.03 0.62 -0.17 2.35 0.00 0.00 0.00 179.25 182.07 3cx5 h TRP 421 N 0.75 0.88 -0.57 0.00 7.01 -0.93 -3.03 115.95 120.06 3cx5 h TRP 421 Ca 0.09 -0.22 -0.10 0.00 2.11 0.00 0.00 58.89 60.77 3cx5 h TRP 421 Cb 0.85 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 3cx5 h TRP 421 CO 0.06 0.95 -0.05 0.00 -2.79 0.00 0.00 178.44 176.61 3cx5 h ALA 422 N 0.80 0.83 0.00 2.65 0.00 -0.87 0.05 119.26 122.73 3cx5 h ALA 422 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3cx5 h ALA 422 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3cx5 h ALA 422 CO 0.05 0.67 0.00 0.78 0.00 0.00 0.00 179.25 180.75 3cx5 h GLY 423 N 0.97 0.00 0.10 0.00 0.00 -1.19 0.14 103.07 103.08 3cx5 h GLY 423 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.10 3cx5 h GLY 423 CO 0.04 0.00 -2.20 1.17 0.00 0.00 0.00 176.54 175.54 3cx5 n LYS 424 N -2.75 0.63 -0.02 4.80 4.81 -0.92 -4.45 118.16 120.26 3cx5 n LYS 424 Ca -0.01 0.29 -0.02 0.00 -0.87 0.00 0.00 58.31 57.70 3cx5 n LYS 424 Cb 0.17 -1.58 -0.13 0.00 0.02 0.00 0.00 35.03 33.51 3cx5 n LYS 424 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3cx5 n ARG 425 N -3.88 0.65 -0.07 1.64 3.00 -0.04 -4.78 116.66 113.17 3cx5 n ARG 425 Ca -0.44 0.10 -0.15 0.00 -0.01 0.00 0.00 57.85 57.34 3cx5 n ARG 425 Cb 0.90 -1.67 -0.05 0.00 0.00 0.00 0.00 32.46 31.64 3cx5 n ARG 425 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3cx5 n LEU 426 N -2.77 1.34 -4.65 0.55 4.32 0.37 -4.68 117.00 111.48 3cx5 n LEU 426 Ca -0.17 0.23 -0.46 0.00 -0.02 0.00 0.00 56.01 55.59 3cx5 n LEU 426 Cb 0.92 -0.53 -0.04 0.00 -1.62 0.00 0.00 43.42 42.15 3cx5 n LEU 426 CO 0.44 0.13 1.60 1.87 -1.22 0.00 0.00 177.39 180.21 3cx5 n TRP 427 N -3.87 2.29 -4.00 -1.77 -0.00 -0.55 -2.65 117.44 106.90 3cx5 n TRP 427 Ca -0.27 -0.12 -0.29 0.00 -0.00 0.00 0.00 57.50 56.82 3cx5 n TRP 427 Cb 0.63 -2.71 -0.01 0.00 -0.00 0.00 0.00 31.31 29.22 3cx5 n TRP 427 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 3cx5 n ASP 428 N 7.78 -2.10 -4.55 5.87 2.03 -0.56 -4.87 116.55 120.15 3cx5 n ASP 428 Ca 0.24 -0.95 -0.28 0.00 0.52 0.00 0.00 54.79 54.32 3cx5 n ASP 428 Cb 0.34 -3.22 -0.10 0.00 -0.72 0.00 0.00 41.12 37.43 3cx5 n ASP 428 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3cx5 s GLN 429 N -6.62 2.00 0.63 -0.67 -1.52 -1.08 -5.08 119.66 107.32 3cx5 s GLN 429 Ca 0.34 -1.18 -0.18 0.00 -1.95 0.00 0.00 55.36 52.40 3cx5 s GLN 429 Cb -0.18 -2.19 -0.02 0.00 -0.22 0.00 0.00 33.01 30.41 3cx5 s GLN 429 CO 0.88 0.47 1.25 -0.51 -0.25 0.00 0.00 175.29 177.13 3cx5 s ASP 430 N -2.46 4.79 0.18 5.90 -0.00 -1.26 -4.93 116.67 118.89 3cx5 s ASP 430 Ca 0.22 2.50 0.07 0.00 -0.00 0.00 0.00 52.55 55.34 3cx5 s ASP 430 Cb -0.10 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.17 3cx5 s ASP 430 CO 0.13 -1.87 -0.14 0.27 -0.00 0.00 0.00 175.17 173.56 3cx5 s ILE 431 N -1.54 1.57 -0.06 0.77 -4.36 -1.26 -4.46 121.20 111.86 3cx5 s ILE 431 Ca 0.80 -2.08 0.05 0.00 -0.26 0.00 0.00 60.65 59.15 3cx5 s ILE 431 Cb -0.34 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 3cx5 s ILE 431 CO 0.38 -0.58 -0.20 0.00 0.24 0.00 0.00 174.94 174.78 3cx5 s ALA 432 N -2.84 2.40 0.02 2.27 0.00 0.12 -1.85 121.76 121.87 3cx5 s ALA 432 Ca 0.19 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3cx5 s ALA 432 Cb -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 3cx5 s ALA 432 CO 0.05 0.46 -0.10 0.42 0.00 0.00 0.00 175.76 176.59 3cx5 s ILE 433 N -0.38 0.77 -0.03 0.00 1.01 -0.39 -1.41 121.20 120.77 3cx5 s ILE 433 Ca 0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 3cx5 s ILE 433 Cb -0.12 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.65 3cx5 s ILE 433 CO 0.02 0.02 0.11 0.00 0.00 0.00 0.00 174.94 175.08 3cx5 s ALA 434 N -0.63 -0.25 -0.04 9.38 0.00 -0.64 -1.37 121.76 128.20 3cx5 s ALA 434 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3cx5 s ALA 434 Cb -0.06 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.04 3cx5 s ALA 434 CO 0.00 -0.09 0.74 0.20 0.00 0.00 0.00 175.76 176.62 3cx5 s GLY 435 N -0.31 -0.52 0.11 0.00 0.00 -1.11 -1.25 107.32 104.25 3cx5 s GLY 435 Ca -0.04 1.34 -0.04 0.00 0.00 0.00 0.00 44.72 45.98 3cx5 s GLY 435 CO 0.00 0.84 0.10 -1.08 0.00 0.00 0.00 173.10 172.97 3cx5 s THR 436 N -1.59 0.13 0.00 0.90 -1.32 -0.51 -0.30 115.64 112.95 3cx5 s THR 436 Ca -0.07 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.71 3cx5 s THR 436 Cb -0.00 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.19 3cx5 s THR 436 CO 0.05 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 3cx5 n GLY 437 N -0.07 -0.08 2.81 6.08 0.00 -1.20 -1.35 105.19 111.38 3cx5 n GLY 437 Ca -0.09 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3cx5 n GLY 437 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cx5 n GLN 438 N 0.40 2.98 -0.79 1.61 6.02 -0.38 -1.06 117.38 126.16 3cx5 n GLN 438 Ca 0.00 -2.77 0.07 0.00 -0.01 0.00 0.00 57.00 54.29 3cx5 n GLN 438 Cb 0.00 -3.25 0.38 0.00 1.02 0.00 0.00 30.24 28.38 3cx5 n GLN 438 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3cx5 n ILE 439 N 4.95 2.42 -0.29 5.09 -5.35 -1.26 -4.46 119.36 120.45 3cx5 n ILE 439 Ca 0.50 -1.28 0.08 0.00 -0.27 0.00 0.00 62.75 61.78 3cx5 n ILE 439 Cb 0.39 -0.20 0.30 0.00 -1.74 0.00 0.00 39.64 38.39 3cx5 n ILE 439 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3cx5 h GLU 440 N 3.83 0.85 0.00 6.28 4.81 -1.90 -0.88 114.58 127.56 3cx5 h GLU 440 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3cx5 h GLU 440 Cb 1.79 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.98 3cx5 h GLU 440 CO 0.41 0.56 0.00 0.41 -0.73 0.00 0.00 179.01 179.66 3cx5 n GLY 441 N -1.40 -1.07 3.63 1.92 0.00 -1.26 -4.62 105.19 102.38 3cx5 n GLY 441 Ca 0.16 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3cx5 n GLY 441 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cx5 s LEU 442 N -2.98 3.84 1.21 0.99 2.96 -0.34 -3.77 118.68 120.60 3cx5 s LEU 442 Ca 0.09 0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 54.79 3cx5 s LEU 442 Cb 0.11 -3.54 0.29 0.00 0.50 0.00 0.00 46.19 43.55 3cx5 s LEU 442 CO 0.31 -1.03 1.03 -0.76 -1.32 0.00 0.00 176.35 174.57 3cx5 s LEU 443 N 4.08 0.43 0.95 -0.68 1.02 -1.26 -5.00 118.68 118.22 3cx5 s LEU 443 Ca 0.49 1.13 -0.11 0.00 0.02 0.00 0.00 54.13 55.66 3cx5 s LEU 443 Cb -0.12 -2.93 0.14 0.00 0.02 0.00 0.00 46.19 43.30 3cx5 s LEU 443 CO 0.22 -4.30 0.99 -0.90 0.02 0.00 0.00 176.35 172.37 3cx5 n ASP 444 N -4.95 -0.32 -0.06 2.29 5.75 -1.26 -4.83 116.55 113.17 3cx5 n ASP 444 Ca 0.07 0.34 -0.07 0.00 -0.01 0.00 0.00 54.79 55.12 3cx5 n ASP 444 Cb 0.57 -1.40 -0.01 0.00 -1.03 0.00 0.00 41.12 39.25 3cx5 n ASP 444 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3cx5 h TYR 445 N -1.93 -0.46 -0.58 2.11 3.20 -2.00 -2.66 116.97 114.64 3cx5 h TYR 445 Ca -0.45 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.49 3cx5 h TYR 445 Cb 1.28 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.76 3cx5 h TYR 445 CO 0.45 -0.26 0.39 0.52 -1.64 0.00 0.00 178.16 177.62 3cx5 h MET 446 N -0.16 0.65 -0.36 1.82 2.86 -1.97 0.23 114.93 118.00 3cx5 h MET 446 Ca 0.15 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.65 3cx5 h MET 446 Cb 0.39 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3cx5 h MET 446 CO -0.37 0.43 -0.17 0.00 1.06 0.00 0.00 176.91 177.85 3cx5 h ARG 447 N 0.67 0.66 -0.03 1.72 2.47 -1.84 0.51 114.38 118.54 3cx5 h ARG 447 Ca 0.24 -0.23 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 3cx5 h ARG 447 Cb 0.11 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.39 3cx5 h ARG 447 CO -0.06 0.80 -0.53 0.82 0.56 0.00 0.00 179.97 181.56 3cx5 h ILE 448 N 0.59 1.42 -0.56 2.04 2.04 -1.19 -3.28 117.51 118.58 3cx5 h ILE 448 Ca 0.09 -1.98 -0.02 0.00 1.00 0.00 0.00 64.86 63.96 3cx5 h ILE 448 Cb 0.63 2.50 -0.03 0.00 -0.74 0.00 0.00 36.82 39.19 3cx5 h ILE 448 CO 0.04 0.58 0.28 -0.09 0.00 0.00 0.00 178.15 178.97 3cx5 h ARG 449 N -0.10 0.78 0.00 2.37 9.65 -0.43 -1.89 114.38 124.76 3cx5 h ARG 449 Ca -0.06 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 3cx5 h ARG 449 Cb 1.22 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.64 3cx5 h ARG 449 CO 0.11 0.59 -0.14 0.77 2.80 0.00 0.00 179.97 184.10 3cx5 h SER 450 N 0.78 0.00 0.00 -3.80 0.02 -0.96 -2.43 113.55 107.16 3cx5 h SER 450 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3cx5 h SER 450 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3cx5 h SER 450 CO -0.03 0.14 0.00 0.47 -1.14 0.00 0.00 176.83 176.27 3cx5 n ASP 451 N -3.98 0.00 0.00 3.07 10.43 -0.71 -3.17 116.55 122.19 3cx5 n ASP 451 Ca -0.02 -0.82 0.10 0.00 2.57 0.00 0.00 54.79 56.61 3cx5 n ASP 451 Cb 0.23 0.00 0.57 0.00 1.84 0.00 0.00 41.12 43.76 3cx5 n ASP 451 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 3cx5 n MET 452 N -0.92 0.99 -3.97 -1.24 2.81 -0.91 -4.47 117.12 109.40 3cx5 n MET 452 Ca 0.14 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.93 3cx5 n MET 452 Cb 0.07 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 3cx5 n MET 452 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3cx5 s SER 453 N -1.62 0.21 0.14 7.83 1.04 -1.19 -1.50 113.70 118.62 3cx5 s SER 453 Ca 0.29 -1.11 0.06 0.00 0.48 0.00 0.00 55.95 55.67 3cx5 s SER 453 Cb 0.13 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 3cx5 s SER 453 CO 0.22 -1.33 -0.14 -0.04 0.98 0.00 0.00 173.24 172.94 3cx5 s MET 454 N -3.36 1.10 0.38 4.02 1.00 -1.26 -5.04 119.30 116.15 3cx5 s MET 454 Ca 0.22 -1.34 -0.26 0.00 0.00 0.00 0.00 55.69 54.31 3cx5 s MET 454 Cb -0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 34.83 33.78 3cx5 s MET 454 CO 0.13 0.17 1.18 -1.64 0.00 0.00 0.00 175.02 174.85 3cx5 s MET 455 N -2.98 4.14 0.08 2.03 -1.94 -1.26 -5.04 119.30 114.32 3cx5 s MET 455 Ca 0.13 1.87 0.02 0.00 -1.71 0.00 0.00 55.69 56.00 3cx5 s MET 455 Cb -0.03 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 3cx5 s MET 455 CO 0.04 -0.26 -0.08 1.03 -0.01 0.00 0.00 175.02 175.74 3cx5 s ARG 456 N -2.18 0.73 0.00 2.03 1.81 -1.26 -5.31 118.95 114.78 3cx5 s ARG 456 Ca 0.55 -1.08 0.31 0.00 -1.72 0.00 0.00 55.73 53.79 3cx5 s ARG 456 Cb -0.32 -0.33 1.77 0.00 -0.45 0.00 0.00 34.95 35.63 3cx5 s ARG 456 CO 0.40 0.03 2.15 1.87 -0.68 0.00 0.00 175.30 179.08