#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkh n THR 3 N 0.00 0.95 0.10 0.52 -2.24 -0.88 -4.64 114.28 108.10 3dkh n THR 3 Ca 0.00 0.30 0.05 0.00 -2.27 0.00 0.00 64.05 62.13 3dkh n THR 3 Cb 0.00 -2.08 0.23 0.00 -2.10 0.00 0.00 70.33 66.38 3dkh n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dkh s ASN 5 N -0.67 6.23 0.28 0.00 3.84 -1.25 -4.60 114.94 118.76 3dkh s ASN 5 Ca 0.33 -0.91 0.10 0.00 0.21 0.00 0.00 52.86 52.59 3dkh s ASN 5 Cb 0.22 -2.36 -0.05 0.00 -0.55 0.00 0.00 41.25 38.51 3dkh s ASN 5 CO 0.14 -1.17 -0.15 0.42 -2.79 0.00 0.00 177.10 173.55 3dkh s THR 6 N 3.34 2.24 0.47 -5.21 -4.23 -0.82 -5.00 115.64 106.42 3dkh s THR 6 Ca 0.20 -2.31 0.18 0.00 -1.18 0.00 0.00 61.69 58.58 3dkh s THR 6 Cb -0.18 -2.36 0.35 0.00 1.34 0.00 0.00 72.50 71.65 3dkh s THR 6 CO 0.12 -0.37 1.99 -0.65 -0.54 0.00 0.00 174.62 175.17 3dkh h PRO 7 N 2.25 0.24 0.00 3.99 0.11 -1.91 -1.93 132.00 134.76 3dkh h PRO 7 Ca -0.40 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.57 3dkh h PRO 7 Cb 1.25 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3dkh h PRO 7 CO 0.63 0.16 -0.65 0.66 -0.21 0.00 0.00 178.00 178.59 3dkh h SER 8 N 0.25 0.00 -2.95 -2.05 4.64 -1.97 -3.08 113.55 108.39 3dkh h SER 8 Ca 0.26 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.98 3dkh h SER 8 Cb 0.68 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.37 3dkh h SER 8 CO -0.05 0.58 -0.79 0.21 -0.87 0.00 0.00 176.83 175.90 3dkh s ASN 9 N -6.44 3.10 0.00 4.97 2.47 -0.74 -4.85 114.94 113.45 3dkh s ASN 9 Ca 0.03 -2.93 0.26 0.00 0.42 0.00 0.00 52.86 50.64 3dkh s ASN 9 Cb 0.08 -0.88 0.61 0.00 -1.45 0.00 0.00 41.25 39.62 3dkh s ASN 9 CO 0.76 -0.21 1.48 0.54 -3.72 0.00 0.00 177.10 175.95 3dkh n ARG 10 N 3.11 0.30 0.17 0.43 5.12 -1.15 -1.95 116.66 122.69 3dkh n ARG 10 Ca 0.18 -0.17 0.03 0.00 -1.93 0.00 0.00 57.85 55.95 3dkh n ARG 10 Cb 0.39 -1.50 0.28 0.00 -1.16 0.00 0.00 32.46 30.48 3dkh n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dkh h ALA 11 N 3.25 1.03 -2.47 7.54 0.00 -1.89 0.17 119.26 126.89 3dkh h ALA 11 Ca 0.00 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 53.96 3dkh h ALA 11 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dkh h ALA 11 CO 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 3dkh n TRP 13 N -0.64 -1.96 -3.63 0.00 -0.00 -1.05 -3.90 117.44 106.26 3dkh n TRP 13 Ca -0.01 0.35 -0.06 0.00 -0.00 0.00 0.00 57.50 57.78 3dkh n TRP 13 Cb 0.53 0.50 0.02 0.00 -0.00 0.00 0.00 31.31 32.36 3dkh n TRP 13 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 3dkh n SER 14 N -3.38 -1.68 -4.63 5.87 3.41 -0.76 -2.06 113.62 110.38 3dkh n SER 14 Ca 0.00 -2.13 -0.43 0.00 -0.26 0.00 0.00 58.87 56.06 3dkh n SER 14 Cb 0.01 2.79 -0.03 0.00 -0.26 0.00 0.00 64.21 66.73 3dkh n SER 14 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dkh s ASP 15 N -2.62 6.22 0.00 4.04 -1.08 -1.26 -1.93 116.67 120.05 3dkh s ASP 15 Ca 0.13 1.91 0.00 0.00 -0.52 0.00 0.00 52.55 54.07 3dkh s ASP 15 Cb -0.04 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 3dkh s ASP 15 CO 0.08 -1.34 0.00 0.61 0.52 0.00 0.00 175.17 175.04 3dkh n GLY 16 N 4.83 1.17 2.88 2.66 0.00 -1.26 -5.02 105.19 110.45 3dkh n GLY 16 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3dkh n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dkh s PHE 17 N -2.76 1.95 0.04 1.61 0.08 -0.81 -4.92 117.98 113.16 3dkh s PHE 17 Ca 0.00 -1.44 0.01 0.00 0.12 0.00 0.00 56.93 55.61 3dkh s PHE 17 Cb 0.00 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 41.05 3dkh s PHE 17 CO 0.00 -0.71 0.03 -0.40 -0.10 0.00 0.00 175.22 174.03 3dkh n ASP 18 N 4.80 0.24 0.29 1.36 5.68 -1.26 -1.83 116.55 125.82 3dkh n ASP 18 Ca -0.11 -1.24 0.18 0.00 -0.50 0.00 0.00 54.79 53.12 3dkh n ASP 18 Cb 0.45 0.16 0.78 0.00 -1.14 0.00 0.00 41.12 41.38 3dkh n ASP 18 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3dkh h ILE 19 N 1.10 0.04 -0.01 2.12 6.09 -1.49 -2.98 117.51 122.38 3dkh h ILE 19 Ca -0.03 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3dkh h ILE 19 Cb 0.13 1.42 0.00 0.00 0.47 0.00 0.00 36.82 38.85 3dkh h ILE 19 CO 0.04 0.01 -0.31 0.59 -3.07 0.00 0.00 178.15 175.42 3dkh n ASN 20 N -3.12 1.49 -4.74 2.19 3.02 -1.26 -4.64 115.26 108.19 3dkh n ASN 20 Ca -0.00 -1.20 -0.41 0.00 -0.03 0.00 0.00 54.58 52.94 3dkh n ASN 20 Cb 0.26 0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 3dkh n ASN 20 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dkh s THR 21 N -2.44 3.43 -0.73 3.41 2.01 -1.13 -4.89 115.64 115.30 3dkh s THR 21 Ca 0.23 1.25 -0.26 0.00 0.31 0.00 0.00 61.69 63.22 3dkh s THR 21 Cb 0.19 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.91 3dkh s THR 21 CO 0.52 0.22 1.58 -0.62 -0.69 0.00 0.00 174.62 175.63 3dkh s ASP 22 N -0.02 5.76 0.60 3.53 -1.08 -1.26 -4.85 116.67 119.34 3dkh s ASP 22 Ca 0.52 -0.27 0.38 0.00 -0.52 0.00 0.00 52.55 52.66 3dkh s ASP 22 Cb -0.34 -2.55 1.78 0.00 -1.46 0.00 0.00 42.92 40.35 3dkh s ASP 22 CO 0.39 -2.10 2.14 0.10 0.52 0.00 0.00 175.17 176.21 3dkh h TYR 23 N 12.03 0.00 0.00 -5.34 -0.00 -1.88 -1.84 116.97 119.93 3dkh h TYR 23 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.54 3dkh h TYR 23 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.82 3dkh h TYR 23 CO 1.12 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 179.67 3dkh n GLU 24 N -3.10 0.23 0.00 0.10 1.02 -1.26 -3.99 120.64 113.63 3dkh n GLU 24 Ca -0.01 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 3dkh n GLU 24 Cb 0.22 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3dkh n GLU 24 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3dkh n VAL 25 N -2.23 0.00 -4.71 2.62 0.24 -1.11 -5.05 118.33 108.09 3dkh n VAL 25 Ca 0.04 -0.08 -0.26 0.00 -2.04 0.00 0.00 64.34 62.01 3dkh n VAL 25 Cb 0.34 0.49 -0.16 0.00 -1.47 0.00 0.00 33.84 33.04 3dkh n VAL 25 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3dkh s SER 26 N -1.28 2.00 -0.02 -1.34 0.15 -0.71 -5.12 113.70 107.39 3dkh s SER 26 Ca 0.00 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.32 3dkh s SER 26 Cb 0.00 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.49 3dkh s SER 26 CO 0.00 0.07 -0.00 -0.89 1.20 0.00 0.00 173.24 173.62 3dkh s THR 27 N 0.48 0.13 0.18 6.45 2.01 -1.26 -4.36 115.64 119.27 3dkh s THR 27 Ca -0.13 0.04 -0.32 0.00 0.31 0.00 0.00 61.69 61.59 3dkh s THR 27 Cb -0.15 -0.19 -0.11 0.00 0.01 0.00 0.00 72.50 72.06 3dkh s THR 27 CO 0.04 0.10 1.65 -2.84 -0.69 0.00 0.00 174.62 172.87 3dkh s PRO 28 N 0.59 4.17 -0.99 4.92 0.02 -1.26 -4.95 135.00 137.51 3dkh s PRO 28 Ca -0.06 2.48 -0.19 0.00 0.02 0.00 0.00 61.00 63.25 3dkh s PRO 28 Cb -0.08 -3.15 0.12 0.00 0.02 0.00 0.00 34.50 31.40 3dkh s PRO 28 CO -0.01 -0.69 1.24 0.34 -0.33 0.00 0.00 177.00 177.56 3dkh s ASP 29 N 1.27 6.65 -0.14 2.53 2.15 -1.26 -4.32 116.67 123.56 3dkh s ASP 29 Ca 0.73 -2.03 -0.08 0.00 0.43 0.00 0.00 52.55 51.59 3dkh s ASP 29 Cb -0.46 -2.44 -0.25 0.00 -0.30 0.00 0.00 42.92 39.47 3dkh s ASP 29 CO 0.32 -1.13 0.31 0.35 -0.17 0.00 0.00 175.17 174.86 3dkh n THR 30 N 5.72 1.74 -1.46 1.71 -2.24 -1.26 -5.00 114.28 113.49 3dkh n THR 30 Ca 0.28 -0.58 -0.05 0.00 -2.27 0.00 0.00 64.05 61.42 3dkh n THR 30 Cb 0.49 -1.76 -0.02 0.00 -2.10 0.00 0.00 70.33 66.95 3dkh n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dkh n GLY 31 N 1.94 0.59 3.70 3.38 0.00 -1.26 -5.03 105.19 108.51 3dkh n GLY 31 Ca -0.33 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 3dkh n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dkh s VAL 32 N -2.23 4.40 -0.11 1.61 1.01 -1.26 -5.04 120.40 118.79 3dkh s VAL 32 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3dkh s VAL 32 Cb 0.00 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3dkh s VAL 32 CO 0.00 0.59 -0.20 -0.89 0.00 0.00 0.00 175.10 174.60 3dkh s THR 33 N -0.91 1.78 -0.39 3.92 2.01 -1.26 -1.06 115.64 119.72 3dkh s THR 33 Ca 0.14 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 3dkh s THR 33 Cb -0.11 -1.58 0.05 0.00 0.01 0.00 0.00 72.50 70.87 3dkh s THR 33 CO 0.03 0.50 0.23 -1.10 -0.69 0.00 0.00 174.62 173.59 3dkh s GLN 34 N 0.67 2.70 -0.04 4.92 -1.52 -0.22 -4.97 119.66 121.21 3dkh s GLN 34 Ca -0.12 -1.28 -0.10 0.00 -1.95 0.00 0.00 55.36 51.91 3dkh s GLN 34 Cb -0.16 -3.74 -0.05 0.00 -0.22 0.00 0.00 33.01 28.84 3dkh s GLN 34 CO 0.03 -0.83 0.29 -1.12 -0.25 0.00 0.00 175.29 173.41 3dkh s SER 35 N 1.83 6.60 0.04 5.90 0.01 -1.26 -1.91 113.70 124.91 3dkh s SER 35 Ca 0.02 0.72 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 3dkh s SER 35 Cb -0.21 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 3dkh s SER 35 CO 0.04 0.34 0.01 -0.31 0.41 0.00 0.00 173.24 173.73 3dkh s TYR 36 N -1.11 0.37 -0.07 2.43 1.51 -0.63 -5.00 117.35 114.86 3dkh s TYR 36 Ca 0.22 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 3dkh s TYR 36 Cb -0.14 -0.27 0.01 0.00 -0.11 0.00 0.00 41.96 41.45 3dkh s TYR 36 CO 0.11 -0.34 -0.12 0.08 -1.11 0.00 0.00 175.55 174.17 3dkh s VAL 37 N -3.03 1.14 -0.17 0.71 1.01 -1.26 -1.95 120.40 116.84 3dkh s VAL 37 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3dkh s VAL 37 Cb 0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3dkh s VAL 37 CO -0.07 0.36 -0.02 -0.36 0.00 0.00 0.00 175.10 175.01 3dkh s PHE 38 N 0.73 3.05 -0.33 5.22 0.40 0.60 -4.90 117.98 122.76 3dkh s PHE 38 Ca -0.13 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 3dkh s PHE 38 Cb -0.16 -2.01 0.10 0.00 0.51 0.00 0.00 43.02 41.47 3dkh s PHE 38 CO 0.03 -0.07 0.04 1.21 0.70 0.00 0.00 175.22 177.13 3dkh s ASN 39 N 0.54 4.63 -0.39 1.36 3.84 -1.26 -0.79 114.94 122.86 3dkh s ASN 39 Ca -0.02 -2.02 -0.26 0.00 0.21 0.00 0.00 52.86 50.77 3dkh s ASN 39 Cb -0.14 -1.51 0.02 0.00 -0.55 0.00 0.00 41.25 39.07 3dkh s ASN 39 CO 0.02 -0.37 0.94 -0.76 -2.79 0.00 0.00 177.10 174.15 3dkh s LEU 40 N 1.02 3.97 0.05 3.21 1.43 -0.74 -1.10 118.68 126.52 3dkh s LEU 40 Ca 0.09 0.49 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 3dkh s LEU 40 Cb -0.19 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 3dkh s LEU 40 CO -0.10 -0.93 -0.24 0.42 0.23 0.00 0.00 176.35 175.73 3dkh s THR 41 N 3.61 1.93 -0.31 5.49 -4.23 0.14 -1.21 115.64 121.06 3dkh s THR 41 Ca 0.39 -1.31 -0.17 0.00 -1.18 0.00 0.00 61.69 59.42 3dkh s THR 41 Cb -0.11 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 3dkh s THR 41 CO 0.21 0.29 0.47 -0.70 -0.54 0.00 0.00 174.62 174.34 3dkh s GLU 42 N -1.23 3.84 -0.17 3.99 2.12 -1.26 -0.93 118.70 125.05 3dkh s GLU 42 Ca 0.10 -0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.42 3dkh s GLU 42 Cb -0.09 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.57 3dkh s GLU 42 CO 0.02 -0.46 -0.14 0.08 -0.54 0.00 0.00 175.26 174.22 3dkh s VAL 43 N 2.26 2.73 0.05 3.70 1.01 -0.57 -5.01 120.40 124.58 3dkh s VAL 43 Ca 0.18 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3dkh s VAL 43 Cb -0.16 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3dkh s VAL 43 CO 0.11 0.50 0.30 -1.81 0.00 0.00 0.00 175.10 174.20 3dkh s ASP 44 N 1.03 6.49 -1.32 3.32 1.01 -1.26 -1.38 116.67 124.56 3dkh s ASP 44 Ca -0.01 0.55 -0.04 0.00 0.71 0.00 0.00 52.55 53.76 3dkh s ASP 44 Cb -0.15 -2.08 -0.00 0.00 1.01 0.00 0.00 42.92 41.70 3dkh s ASP 44 CO -0.03 0.19 0.58 0.59 0.21 0.00 0.00 175.17 176.71 3dkh n ASN 45 N 0.75 -1.60 -4.77 0.27 3.02 0.02 -4.96 115.26 107.98 3dkh n ASN 45 Ca -0.08 -0.95 -0.39 0.00 -0.03 0.00 0.00 54.58 53.13 3dkh n ASN 45 Cb 0.52 -3.45 -0.06 0.00 -0.61 0.00 0.00 39.78 36.19 3dkh n ASN 45 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3dkh s TRP 46 N -3.77 3.89 -0.31 3.10 -0.00 -0.97 -4.85 118.94 116.03 3dkh s TRP 46 Ca 0.10 1.62 -0.27 0.00 -0.00 0.00 0.00 56.10 57.54 3dkh s TRP 46 Cb -0.03 -2.77 0.01 0.00 -0.00 0.00 0.00 33.47 30.67 3dkh s TRP 46 CO 0.86 0.49 0.98 1.41 -0.00 0.00 0.00 176.95 180.69 3dkh s MET 47 N -1.01 4.04 0.85 5.86 -2.45 -1.26 -1.57 119.30 123.75 3dkh s MET 47 Ca 0.36 0.93 -0.12 0.00 -1.25 0.00 0.00 55.69 55.61 3dkh s MET 47 Cb -0.23 -3.73 0.10 0.00 1.25 0.00 0.00 34.83 32.22 3dkh s MET 47 CO 0.26 -0.82 1.13 0.20 1.05 0.00 0.00 175.02 176.85 3dkh s GLY 48 N 1.62 1.59 0.50 2.11 0.00 -0.62 -4.98 107.32 107.55 3dkh s GLY 48 Ca 0.41 -0.46 0.23 0.00 0.00 0.00 0.00 44.72 44.89 3dkh s GLY 48 CO 0.14 0.04 2.07 -2.55 0.00 0.00 0.00 173.10 172.79 3dkh h PRO 49 N -1.24 0.00 -0.62 2.90 0.11 -1.86 -2.99 132.00 128.30 3dkh h PRO 49 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dkh h PRO 49 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3dkh h PRO 49 CO 0.62 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3dkh n ASP 50 N -3.94 3.77 0.00 -2.05 5.75 -1.26 -4.31 116.55 114.51 3dkh n ASP 50 Ca -0.02 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 3dkh n ASP 50 Cb 0.22 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 3dkh n ASP 50 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dkh n GLY 51 N 1.07 1.28 3.78 6.12 0.00 -1.13 -4.41 105.19 111.91 3dkh n GLY 51 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3dkh n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dkh s VAL 52 N -3.29 5.31 -0.18 1.61 1.01 -1.26 -4.85 120.40 118.74 3dkh s VAL 52 Ca 0.00 0.48 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 3dkh s VAL 52 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3dkh s VAL 52 CO 0.00 0.48 0.69 -0.69 0.00 0.00 0.00 175.10 175.58 3dkh s VAL 53 N -0.16 4.98 -0.03 2.92 1.01 -1.26 -1.58 120.40 126.27 3dkh s VAL 53 Ca 0.16 1.32 -0.13 0.00 0.00 0.00 0.00 61.98 63.34 3dkh s VAL 53 Cb -0.13 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3dkh s VAL 53 CO 0.05 0.09 0.35 -0.54 0.00 0.00 0.00 175.10 175.05 3dkh s LYS 54 N 1.94 3.84 0.13 2.72 1.02 -0.61 -4.95 119.74 123.83 3dkh s LYS 54 Ca 0.32 0.29 -0.25 0.00 0.02 0.00 0.00 55.97 56.35 3dkh s LYS 54 Cb -0.16 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 3dkh s LYS 54 CO 0.11 0.68 1.63 1.49 -0.92 0.00 0.00 175.35 178.34 3dkh h GLU 55 N 4.89 -0.35 -2.89 1.68 4.81 -1.88 -2.53 114.58 118.30 3dkh h GLU 55 Ca -0.52 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 58.60 3dkh h GLU 55 Cb 1.22 0.08 -0.25 0.00 0.63 0.00 0.00 28.75 30.43 3dkh h GLU 55 CO 0.62 -0.23 -0.31 0.21 -0.73 0.00 0.00 179.01 178.56 3dkh s LYS 56 N -6.06 0.41 0.05 1.92 2.20 -1.26 -0.80 119.74 116.19 3dkh s LYS 56 Ca -0.15 0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 55.94 3dkh s LYS 56 Cb 0.10 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.58 3dkh s LYS 56 CO 0.66 -0.05 -0.04 0.14 -0.36 0.00 0.00 175.35 175.70 3dkh s VAL 57 N 0.19 0.29 -0.19 4.02 -7.23 -0.48 -4.74 120.40 112.26 3dkh s VAL 57 Ca -0.00 -1.54 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 3dkh s VAL 57 Cb -0.02 -1.15 0.03 0.00 0.56 0.00 0.00 36.38 35.79 3dkh s VAL 57 CO 0.00 -0.80 -0.19 -0.04 -0.31 0.00 0.00 175.10 173.76 3dkh s MET 58 N -3.10 2.89 0.09 4.82 -1.94 -1.09 -1.51 119.30 119.46 3dkh s MET 58 Ca 0.01 -0.90 0.08 0.00 -1.71 0.00 0.00 55.69 53.17 3dkh s MET 58 Cb 0.02 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.21 3dkh s MET 58 CO -0.06 -0.26 -0.21 -0.51 -0.01 0.00 0.00 175.02 173.97 3dkh s LEU 59 N 1.27 2.27 -0.28 -0.03 1.43 -0.11 -2.75 118.68 120.47 3dkh s LEU 59 Ca 0.03 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 3dkh s LEU 59 Cb -0.14 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 3dkh s LEU 59 CO -0.12 0.08 0.24 -0.63 0.23 0.00 0.00 176.35 176.15 3dkh s ILE 60 N -1.09 5.27 -1.44 -0.59 1.01 -1.26 -0.69 121.20 122.43 3dkh s ILE 60 Ca 0.07 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.88 3dkh s ILE 60 Cb -0.10 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.82 3dkh s ILE 60 CO 0.04 0.20 0.56 0.59 0.00 0.00 0.00 174.94 176.33 3dkh n ASN 61 N 5.13 -5.11 -0.22 3.58 3.02 -0.26 -2.75 115.26 118.66 3dkh n ASN 61 Ca -0.13 -0.33 -0.03 0.00 -0.03 0.00 0.00 54.58 54.07 3dkh n ASN 61 Cb 0.51 -4.16 -0.01 0.00 -0.61 0.00 0.00 39.78 35.52 3dkh n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dkh n GLY 62 N -1.38 0.39 3.77 7.41 0.00 -1.26 -5.00 105.19 109.13 3dkh n GLY 62 Ca -0.07 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 3dkh n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dkh s ASN 63 N -2.15 4.75 0.39 1.61 0.01 -1.11 -5.03 114.94 113.42 3dkh s ASN 63 Ca 0.00 -0.80 0.07 0.00 -0.71 0.00 0.00 52.86 51.42 3dkh s ASN 63 Cb 0.00 -0.67 0.82 0.00 0.41 0.00 0.00 41.25 41.80 3dkh s ASN 63 CO 0.00 -0.42 2.01 -0.29 -1.51 0.00 0.00 177.10 176.90 3dkh h ILE 64 N 1.40 1.06 -3.79 0.60 -0.00 -1.91 -3.35 117.51 111.51 3dkh h ILE 64 Ca -0.43 -0.22 -0.25 0.00 -0.00 0.00 0.00 64.86 63.96 3dkh h ILE 64 Cb 1.25 0.36 -0.15 0.00 -0.00 0.00 0.00 36.82 38.29 3dkh h ILE 64 CO 0.63 0.12 -0.69 -0.04 -0.00 0.00 0.00 178.15 178.17 3dkh s MET 65 N -5.57 0.94 0.34 2.19 -1.94 -1.26 -4.76 119.30 109.24 3dkh s MET 65 Ca -0.09 -1.41 -0.06 0.00 -1.71 0.00 0.00 55.69 52.43 3dkh s MET 65 Cb 0.18 -0.24 0.08 0.00 2.01 0.00 0.00 34.83 36.87 3dkh s MET 65 CO 0.75 -0.05 0.44 0.41 -0.01 0.00 0.00 175.02 176.56 3dkh n GLY 66 N -0.12 -1.36 3.75 -0.03 0.00 0.69 -4.79 105.19 103.34 3dkh n GLY 66 Ca -0.10 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 3dkh n GLY 66 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dkh s PRO 67 N -3.97 3.28 -0.62 1.61 0.02 -1.26 -4.73 135.00 129.33 3dkh s PRO 67 Ca 0.25 2.14 -0.25 0.00 0.02 0.00 0.00 61.00 63.17 3dkh s PRO 67 Cb -0.01 -2.30 0.04 0.00 0.02 0.00 0.00 34.50 32.25 3dkh s PRO 67 CO 0.18 -1.05 1.08 -0.80 -0.33 0.00 0.00 177.00 176.08 3dkh s ASN 68 N -1.02 6.28 -0.19 2.53 0.01 -1.26 -4.26 114.94 117.03 3dkh s ASN 68 Ca 0.70 -0.41 -0.29 0.00 -0.71 0.00 0.00 52.86 52.14 3dkh s ASN 68 Cb -0.38 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 38.76 3dkh s ASN 68 CO 0.45 -1.47 1.58 -0.63 -1.51 0.00 0.00 177.10 175.52 3dkh s ILE 69 N 4.60 3.75 -0.14 0.60 1.01 -0.82 -4.95 121.20 125.26 3dkh s ILE 69 Ca 0.32 0.86 0.01 0.00 0.00 0.00 0.00 60.65 61.85 3dkh s ILE 69 Cb -0.11 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.67 3dkh s ILE 69 CO 0.18 -0.24 -0.18 -0.69 0.00 0.00 0.00 174.94 174.01 3dkh s VAL 70 N 4.78 1.75 0.28 2.92 1.01 -1.26 0.48 120.40 130.35 3dkh s VAL 70 Ca 0.70 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3dkh s VAL 70 Cb -0.26 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 3dkh s VAL 70 CO 0.27 0.49 0.44 0.00 0.00 0.00 0.00 175.10 176.31 3dkh s ALA 71 N 1.10 0.24 0.35 5.51 0.00 -0.98 -4.96 121.76 123.02 3dkh s ALA 71 Ca -0.02 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.83 3dkh s ALA 71 Cb -0.14 1.12 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 3dkh s ALA 71 CO -0.06 -0.81 0.27 -0.80 0.00 0.00 0.00 175.76 174.37 3dkh s ASN 72 N -3.11 5.11 -0.08 0.00 0.01 -1.26 -0.77 114.94 114.85 3dkh s ASN 72 Ca 0.27 -0.59 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 3dkh s ASN 72 Cb 0.00 -0.86 -0.06 0.00 0.41 0.00 0.00 41.25 40.74 3dkh s ASN 72 CO 0.13 -0.38 1.91 0.86 -1.51 0.00 0.00 177.10 178.11 3dkh s TRP 73 N -2.36 1.50 0.00 2.20 -0.00 -0.24 -1.77 118.94 118.27 3dkh s TRP 73 Ca 0.41 0.04 0.00 0.00 -0.00 0.00 0.00 56.10 56.55 3dkh s TRP 73 Cb -0.05 -4.08 0.00 0.00 -0.00 0.00 0.00 33.47 29.35 3dkh s TRP 73 CO 0.26 -4.52 0.00 0.41 -0.00 0.00 0.00 176.95 173.10 3dkh n GLY 74 N 4.77 0.43 3.83 5.86 0.00 -0.43 -4.52 105.19 115.13 3dkh n GLY 74 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3dkh n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dkh s ASP 75 N -2.05 3.99 -0.14 1.61 1.01 -0.73 -4.08 116.67 116.29 3dkh s ASP 75 Ca 0.00 0.92 0.01 0.00 0.71 0.00 0.00 52.55 54.19 3dkh s ASP 75 Cb 0.00 -1.48 -0.01 0.00 1.01 0.00 0.00 42.92 42.44 3dkh s ASP 75 CO 0.00 -2.24 -0.16 -0.89 0.21 0.00 0.00 175.17 172.09 3dkh s THR 76 N -3.39 2.72 -0.26 -1.27 2.01 -0.23 -1.24 115.64 113.99 3dkh s THR 76 Ca 0.63 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 3dkh s THR 76 Cb -0.13 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 3dkh s THR 76 CO 0.52 0.52 0.11 -0.69 -0.69 0.00 0.00 174.62 174.39 3dkh s VAL 77 N 0.57 4.70 -0.13 3.82 1.01 -0.10 -1.06 120.40 129.20 3dkh s VAL 77 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3dkh s VAL 77 Cb -0.16 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3dkh s VAL 77 CO 0.04 0.31 -0.15 -0.70 0.00 0.00 0.00 175.10 174.60 3dkh s GLU 78 N 1.59 3.34 -0.03 2.72 2.12 -0.80 -1.80 118.70 125.83 3dkh s GLU 78 Ca 0.06 -0.71 -0.00 0.00 0.36 0.00 0.00 54.97 54.68 3dkh s GLU 78 Cb -0.15 -2.58 0.03 0.00 0.26 0.00 0.00 34.13 31.68 3dkh s GLU 78 CO 0.06 0.21 0.02 0.08 -0.54 0.00 0.00 175.26 175.09 3dkh s VAL 79 N 0.35 0.09 -0.31 3.70 1.01 0.28 -1.60 120.40 123.92 3dkh s VAL 79 Ca -0.12 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 3dkh s VAL 79 Cb -0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3dkh s VAL 79 CO 0.06 0.15 0.30 -0.89 0.00 0.00 0.00 175.10 174.72 3dkh s THR 80 N 1.30 5.23 -0.42 3.92 2.01 -0.82 -0.52 115.64 126.33 3dkh s THR 80 Ca -0.06 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 3dkh s THR 80 Cb -0.13 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.74 3dkh s THR 80 CO -0.03 0.06 0.27 -0.69 -0.69 0.00 0.00 174.62 173.55 3dkh s VAL 81 N 1.91 4.48 -0.29 3.82 1.01 -0.36 -0.29 120.40 130.68 3dkh s VAL 81 Ca 0.10 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 3dkh s VAL 81 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3dkh s VAL 81 CO 0.11 -0.45 0.22 -0.63 0.00 0.00 0.00 175.10 174.35 3dkh s ILE 82 N 1.49 5.29 -0.56 2.22 1.01 0.03 -2.82 121.20 127.86 3dkh s ILE 82 Ca 0.03 0.12 -0.21 0.00 0.00 0.00 0.00 60.65 60.59 3dkh s ILE 82 Cb -0.22 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.72 3dkh s ILE 82 CO 0.04 0.17 0.76 0.21 0.00 0.00 0.00 174.94 176.12 3dkh s ASN 83 N 1.74 6.23 -0.23 3.58 2.47 0.11 -1.79 114.94 127.05 3dkh s ASN 83 Ca 0.08 -0.95 0.14 0.00 0.42 0.00 0.00 52.86 52.55 3dkh s ASN 83 Cb -0.16 -2.34 0.57 0.00 -1.45 0.00 0.00 41.25 37.86 3dkh s ASN 83 CO 0.11 -1.09 1.50 0.59 -3.72 0.00 0.00 177.10 174.49 3dkh n ASN 84 N 6.69 3.75 -4.81 -4.21 3.02 -0.35 0.13 115.26 119.50 3dkh n ASN 84 Ca -0.05 -3.22 -0.31 0.00 -0.03 0.00 0.00 54.58 50.97 3dkh n ASN 84 Cb 0.45 -0.60 0.07 0.00 -0.61 0.00 0.00 39.78 39.09 3dkh n ASN 84 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dkh s LEU 85 N -2.95 2.90 -0.02 3.41 1.43 -1.17 -4.41 118.68 117.88 3dkh s LEU 85 Ca 0.45 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 3dkh s LEU 85 Cb 0.37 -4.28 -0.08 0.00 0.03 0.00 0.00 46.19 42.23 3dkh s LEU 85 CO 0.08 -1.73 0.70 0.58 0.23 0.00 0.00 176.35 176.21 3dkh h VAL 86 N -0.92 0.00 0.00 -1.59 2.07 -1.94 -2.84 116.25 111.03 3dkh h VAL 86 Ca -0.45 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 66.46 3dkh h VAL 86 Cb 1.23 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3dkh h VAL 86 CO 0.57 0.00 -1.58 0.35 0.02 0.00 0.00 177.57 176.93 3dkh n THR 87 N -4.71 0.58 -1.69 2.57 -2.24 -1.26 -4.54 114.28 102.99 3dkh n THR 87 Ca -0.07 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.11 3dkh n THR 87 Cb 0.22 -1.10 0.02 0.00 -2.10 0.00 0.00 70.33 67.37 3dkh n THR 87 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3dkh n ASN 88 N -3.01 2.26 -4.47 3.42 5.03 -1.26 -4.69 115.26 112.54 3dkh n ASN 88 Ca -0.19 1.04 -0.24 0.00 0.87 0.00 0.00 54.58 56.06 3dkh n ASN 88 Cb 0.68 -1.49 0.13 0.00 -1.02 0.00 0.00 39.78 38.08 3dkh n ASN 88 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dkh n GLY 89 N 0.89 0.35 3.83 7.41 0.00 -1.26 -3.99 105.19 112.41 3dkh n GLY 89 Ca 0.08 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 3dkh n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dkh s THR 90 N -3.23 0.00 -0.14 2.61 -1.32 -0.90 -4.87 115.64 107.79 3dkh s THR 90 Ca 0.68 -0.92 -0.33 0.00 -1.21 0.00 0.00 61.69 59.91 3dkh s THR 90 Cb -0.04 -2.56 0.13 0.00 -1.51 0.00 0.00 72.50 68.53 3dkh s THR 90 CO 0.45 0.00 1.12 -0.94 -2.21 0.00 0.00 174.62 173.04 3dkh s SER 91 N -3.06 -0.20 -0.17 8.08 1.04 -1.26 -0.07 113.70 118.06 3dkh s SER 91 Ca 0.15 0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.58 3dkh s SER 91 Cb -0.05 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.32 3dkh s SER 91 CO 0.09 -0.34 -0.12 -0.63 0.98 0.00 0.00 173.24 173.21 3dkh s ILE 92 N -2.61 1.60 -0.09 -1.02 -1.09 -1.26 -3.42 121.20 113.30 3dkh s ILE 92 Ca 0.08 -0.80 -0.17 0.00 -2.23 0.00 0.00 60.65 57.53 3dkh s ILE 92 Cb -0.01 -1.58 -0.05 0.00 -1.58 0.00 0.00 42.46 39.24 3dkh s ILE 92 CO -0.06 0.33 0.44 -2.28 -1.23 0.00 0.00 174.94 172.14 3dkh s HIS 93 N 1.45 3.56 -1.03 3.97 5.65 0.90 -4.13 115.29 125.65 3dkh s HIS 93 Ca 0.02 0.88 -0.08 0.00 0.25 0.00 0.00 55.06 56.13 3dkh s HIS 93 Cb -0.14 -2.47 0.26 0.00 -1.18 0.00 0.00 32.58 29.05 3dkh s HIS 93 CO -0.10 0.29 1.00 -1.58 -0.65 0.00 0.00 174.74 173.70 3dkh s TRP 94 N 0.21 4.13 0.10 3.88 0.52 -1.25 -2.00 118.94 124.53 3dkh s TRP 94 Ca 0.24 -2.68 -0.31 0.00 0.02 0.00 0.00 56.10 53.37 3dkh s TRP 94 Cb -0.15 -3.71 -0.10 0.00 -1.15 0.00 0.00 33.47 28.36 3dkh s TRP 94 CO 0.10 -0.91 1.84 -1.58 0.02 0.00 0.00 176.95 176.42 3dkh s HIS 95 N -1.10 1.97 0.00 -1.98 2.46 -0.64 -1.80 115.29 114.20 3dkh s HIS 95 Ca 0.28 -0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.72 3dkh s HIS 95 Cb -0.10 -4.17 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 3dkh s HIS 95 CO -0.09 -4.93 0.00 0.41 -2.47 0.00 0.00 174.74 167.66 3dkh n GLY 96 N 4.28 0.40 3.45 1.59 0.00 -1.26 -3.06 105.19 110.60 3dkh n GLY 96 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3dkh n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dkh s ILE 97 N -2.15 4.81 0.44 -0.61 -1.09 -0.75 -4.90 121.20 116.96 3dkh s ILE 97 Ca 0.00 -0.49 0.17 0.00 -2.23 0.00 0.00 60.65 58.11 3dkh s ILE 97 Cb 0.00 -3.53 0.37 0.00 -1.58 0.00 0.00 42.46 37.72 3dkh s ILE 97 CO 0.00 -0.05 1.92 0.45 -1.23 0.00 0.00 174.94 176.03 3dkh h HIS 98 N 8.42 0.44 -5.64 3.97 3.86 -1.85 -3.40 115.15 120.96 3dkh h HIS 98 Ca -0.30 0.01 -0.32 0.00 -1.16 0.00 0.00 60.37 58.60 3dkh h HIS 98 Cb 1.14 -0.14 0.17 0.00 1.06 0.00 0.00 27.41 29.64 3dkh h HIS 98 CO 0.62 0.16 -0.79 1.04 0.86 0.00 0.00 177.93 179.83 3dkh n GLN 99 N -4.47 -5.77 -1.62 2.45 1.13 -1.26 -4.06 117.38 103.77 3dkh n GLN 99 Ca 0.15 0.84 -0.43 0.00 -1.94 0.00 0.00 57.00 55.62 3dkh n GLN 99 Cb 0.57 -5.83 -0.03 0.00 0.11 0.00 0.00 30.24 25.06 3dkh n GLN 99 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3dkh s LYS 100 N -5.22 3.23 -1.80 -1.09 2.47 -1.26 -2.10 119.74 113.97 3dkh s LYS 100 Ca 0.08 2.07 0.00 0.00 -1.56 0.00 0.00 55.97 56.56 3dkh s LYS 100 Cb -0.01 -4.35 0.00 0.00 -1.46 0.00 0.00 37.83 32.01 3dkh s LYS 100 CO 0.74 -2.00 0.00 -0.25 0.16 0.00 0.00 175.35 174.00 3dkh n ASP 101 N 11.28 -5.48 -2.40 1.43 8.00 -1.26 -4.85 116.55 123.27 3dkh n ASP 101 Ca 0.29 0.42 -0.17 0.00 0.71 0.00 0.00 54.79 56.04 3dkh n ASP 101 Cb 0.45 -4.47 0.02 0.00 -0.02 0.00 0.00 41.12 37.10 3dkh n ASP 101 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3dkh n THR 102 N -2.36 1.99 -0.33 -3.53 -2.24 -0.89 -4.89 114.28 102.03 3dkh n THR 102 Ca -0.17 -3.90 0.22 0.00 -2.27 0.00 0.00 64.05 57.93 3dkh n THR 102 Cb 0.63 -0.33 0.48 0.00 -2.10 0.00 0.00 70.33 69.01 3dkh n THR 102 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3dkh h ASN 103 N 2.47 0.50 0.01 3.42 -0.00 -1.85 -1.09 115.58 119.04 3dkh h ASN 103 Ca 0.17 0.10 0.00 0.00 -0.00 0.00 0.00 56.30 56.57 3dkh h ASN 103 Cb 1.30 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.64 3dkh h ASN 103 CO 0.60 0.08 0.00 0.18 -0.00 0.00 0.00 177.43 178.29 3dkh n LEU 104 N -4.71 0.00 -0.75 0.34 4.32 -1.26 -2.17 117.00 112.77 3dkh n LEU 104 Ca 0.26 0.01 0.07 0.00 -0.02 0.00 0.00 56.01 56.34 3dkh n LEU 104 Cb 0.87 -0.01 0.16 0.00 -1.62 0.00 0.00 43.42 42.81 3dkh n LEU 104 CO 0.22 -0.00 0.61 1.41 -1.22 0.00 0.00 177.39 178.41 3dkh n HIS 105 N -1.01 0.43 0.17 -1.77 8.25 -0.41 -4.64 115.22 116.24 3dkh n HIS 105 Ca 0.14 -0.36 0.01 0.00 -0.26 0.00 0.00 57.72 57.25 3dkh n HIS 105 Cb 0.07 -0.01 0.32 0.00 1.12 0.00 0.00 29.99 31.48 3dkh n HIS 105 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3dkh h ASP 106 N 2.66 0.04 0.00 0.41 3.58 -1.58 -3.45 116.42 118.08 3dkh h ASP 106 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3dkh h ASP 106 Cb 0.74 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.78 3dkh h ASP 106 CO 0.00 0.44 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 3dkh n GLY 107 N -0.35 0.57 3.54 -0.78 0.00 -1.26 -3.76 105.19 103.16 3dkh n GLY 107 Ca -0.02 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3dkh n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkh s ALA 108 N -2.00 3.21 0.17 4.61 0.00 -1.26 -4.40 121.76 122.09 3dkh s ALA 108 Ca 0.00 -1.00 -0.32 0.00 0.00 0.00 0.00 51.96 50.65 3dkh s ALA 108 Cb 0.00 -3.67 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 3dkh s ALA 108 CO 0.00 -2.19 1.64 -0.80 0.00 0.00 0.00 175.76 174.41 3dkh s ASN 109 N 2.50 6.51 -0.00 0.00 0.01 -1.26 -0.86 114.94 121.84 3dkh s ASN 109 Ca 0.34 2.69 0.00 0.00 -0.71 0.00 0.00 52.86 55.18 3dkh s ASN 109 Cb -0.11 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.96 3dkh s ASN 109 CO 0.23 -0.89 0.00 0.61 -1.51 0.00 0.00 177.10 175.54 3dkh n GLY 110 N 3.87 0.49 1.48 0.66 0.00 -0.09 -4.71 105.19 106.90 3dkh n GLY 110 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dkh n GLY 110 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dkh n VAL 111 N -2.99 0.16 0.45 1.61 0.31 -0.92 -3.20 118.33 113.75 3dkh n VAL 111 Ca -0.00 0.05 0.10 0.00 -0.01 0.00 0.00 64.34 64.48 3dkh n VAL 111 Cb 0.01 -0.66 -0.13 0.00 -0.91 0.00 0.00 33.84 32.14 3dkh n VAL 111 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3dkh n THR 112 N -2.74 0.00 -3.69 2.52 -2.24 -0.04 -2.04 114.28 106.05 3dkh n THR 112 Ca 0.00 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.45 3dkh n THR 112 Cb 0.00 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 3dkh n THR 112 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3dkh s GLU 113 N -3.14 1.37 0.28 -0.78 -1.05 -1.18 -4.68 118.70 109.52 3dkh s GLU 113 Ca -0.00 -0.69 -0.02 0.00 -0.15 0.00 0.00 54.97 54.11 3dkh s GLU 113 Cb 0.14 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.30 3dkh s GLU 113 CO 0.82 -0.62 0.50 0.00 0.95 0.00 0.00 175.26 176.92 3dkh s PRO 115 N -3.73 4.15 -0.02 0.00 0.02 -1.26 -4.86 135.00 129.30 3dkh s PRO 115 Ca 0.41 2.19 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 3dkh s PRO 115 Cb -0.10 -2.91 -0.06 0.00 0.02 0.00 0.00 34.50 31.45 3dkh s PRO 115 CO 0.32 -0.35 1.59 0.42 -0.33 0.00 0.00 177.00 178.65 3dkh s ILE 116 N -1.21 3.51 0.66 2.83 1.01 0.90 -4.68 121.20 124.22 3dkh s ILE 116 Ca 0.53 0.76 -0.17 0.00 0.00 0.00 0.00 60.65 61.77 3dkh s ILE 116 Cb -0.39 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 3dkh s ILE 116 CO 0.51 -0.04 1.23 -2.16 0.00 0.00 0.00 174.94 174.48 3dkh s PRO 117 N 3.41 2.57 0.00 2.79 0.04 -1.26 -2.13 135.00 140.42 3dkh s PRO 117 Ca 0.71 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.62 3dkh s PRO 117 Cb -0.34 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3dkh s PRO 117 CO 0.29 -1.53 0.00 -0.35 0.04 0.00 0.00 177.00 175.45 3dkh n PRO 118 N -2.08 0.39 -4.00 0.56 -0.04 -1.26 -2.57 135.00 126.00 3dkh n PRO 118 Ca 0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 3dkh n PRO 118 Cb 0.49 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.96 3dkh n PRO 118 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dkh n LYS 119 N -0.50 -4.63 0.00 0.54 5.02 -1.07 -2.90 118.16 114.62 3dkh n LYS 119 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 3dkh n LYS 119 Cb 0.00 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 29.72 3dkh n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dkh n GLY 120 N -1.61 1.00 3.77 0.72 0.00 0.12 -4.99 105.19 104.19 3dkh n GLY 120 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3dkh n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dkh s GLY 121 N -1.98 2.77 0.06 -0.02 0.00 -1.06 -4.68 107.32 102.41 3dkh s GLY 121 Ca 0.00 0.98 -0.03 0.00 0.00 0.00 0.00 44.72 45.67 3dkh s GLY 121 CO 0.00 1.43 0.03 -0.86 0.00 0.00 0.00 173.10 173.70 3dkh s GLN 122 N -2.84 0.68 -0.25 2.90 -2.07 -1.26 0.10 119.66 116.92 3dkh s GLN 122 Ca 0.67 -1.16 -0.26 0.00 -1.82 0.00 0.00 55.36 52.80 3dkh s GLN 122 Cb -0.30 0.25 0.08 0.00 -1.09 0.00 0.00 33.01 31.95 3dkh s GLN 122 CO 0.35 -0.16 0.77 0.50 -1.32 0.00 0.00 175.29 175.44 3dkh s ARG 123 N -3.91 0.80 -0.23 9.60 3.00 -1.13 -4.96 118.95 122.12 3dkh s ARG 123 Ca 0.07 0.87 -0.04 0.00 -1.00 0.00 0.00 55.73 55.63 3dkh s ARG 123 Cb 0.07 0.39 -0.00 0.00 0.00 0.00 0.00 34.95 35.41 3dkh s ARG 123 CO -0.10 -0.11 -0.02 0.99 0.00 0.00 0.00 175.30 176.05 3dkh s THR 124 N 0.22 3.43 0.02 4.11 2.01 -1.26 -1.22 115.64 122.95 3dkh s THR 124 Ca -0.00 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 3dkh s THR 124 Cb -0.05 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 3dkh s THR 124 CO 0.01 0.35 0.49 -0.31 -0.69 0.00 0.00 174.62 174.47 3dkh s TYR 125 N 1.47 3.74 -0.06 4.92 1.51 0.32 -4.93 117.35 124.31 3dkh s TYR 125 Ca 0.05 1.11 -0.03 0.00 -1.01 0.00 0.00 57.07 57.19 3dkh s TYR 125 Cb -0.15 -2.42 0.04 0.00 -0.11 0.00 0.00 41.96 39.32 3dkh s TYR 125 CO -0.02 0.55 0.12 0.50 -1.11 0.00 0.00 175.55 175.59 3dkh s ARG 126 N -0.85 0.01 0.03 -0.62 3.52 -1.26 -0.56 118.95 119.22 3dkh s ARG 126 Ca 0.27 0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 56.24 3dkh s ARG 126 Cb -0.18 -0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 32.91 3dkh s ARG 126 CO 0.16 -0.26 0.10 1.67 -0.81 0.00 0.00 175.30 176.16 3dkh s TRP 127 N 1.86 0.16 0.03 5.12 1.48 -0.75 -4.95 118.94 121.90 3dkh s TRP 127 Ca -0.01 -0.42 -0.17 0.00 -1.06 0.00 0.00 56.10 54.44 3dkh s TRP 127 Cb -0.12 -0.12 -0.06 0.00 -1.16 0.00 0.00 33.47 32.01 3dkh s TRP 127 CO -0.05 -0.35 0.49 0.50 -4.06 0.00 0.00 176.95 173.49 3dkh s ARG 128 N -2.32 4.08 -1.23 3.25 6.06 -1.26 -0.92 118.95 126.60 3dkh s ARG 128 Ca -0.07 0.58 -0.13 0.00 -2.50 0.00 0.00 55.73 53.61 3dkh s ARG 128 Cb -0.03 -3.24 0.17 0.00 0.06 0.00 0.00 34.95 31.91 3dkh s ARG 128 CO -0.03 0.64 1.55 0.00 -2.50 0.00 0.00 175.30 174.97 3dkh n ALA 129 N 1.85 4.24 1.60 6.12 0.00 -0.37 -4.78 120.51 129.17 3dkh n ALA 129 Ca -0.12 -4.25 0.10 0.00 0.00 0.00 0.00 53.44 49.16 3dkh n ALA 129 Cb 0.51 -3.05 0.45 0.00 0.00 0.00 0.00 19.45 17.36 3dkh n ALA 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dkh n ARG 130 N 5.27 1.37 -3.90 0.00 1.74 -1.26 -1.31 116.66 118.57 3dkh n ARG 130 Ca 0.38 -0.56 -0.12 0.00 -0.77 0.00 0.00 57.85 56.78 3dkh n ARG 130 Cb 0.41 -1.33 -0.14 0.00 -1.02 0.00 0.00 32.46 30.38 3dkh n ARG 130 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3dkh s GLN 131 N -1.89 0.05 0.01 5.56 0.74 -1.26 -4.53 119.66 118.34 3dkh s GLN 131 Ca 0.29 -0.05 0.04 0.00 0.05 0.00 0.00 55.36 55.69 3dkh s GLN 131 Cb 0.15 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.19 3dkh s GLN 131 CO 0.23 0.01 -0.07 1.52 -0.55 0.00 0.00 175.29 176.43 3dkh s TYR 132 N -0.09 2.87 -3.77 1.67 1.13 -1.26 -4.85 117.35 113.05 3dkh s TYR 132 Ca -0.01 -0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.60 3dkh s TYR 132 Cb -0.01 -1.59 0.00 0.00 -1.10 0.00 0.00 41.96 39.26 3dkh s TYR 132 CO -0.00 0.37 0.00 0.41 -2.51 0.00 0.00 175.55 173.82 3dkh n GLY 133 N 1.52 0.43 3.30 5.49 0.00 0.66 -4.71 105.19 111.88 3dkh n GLY 133 Ca -0.15 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 3dkh n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dkh s THR 134 N -4.00 2.30 0.19 2.61 2.01 -1.26 -1.32 115.64 116.16 3dkh s THR 134 Ca 0.00 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.04 3dkh s THR 134 Cb 0.00 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 3dkh s THR 134 CO 0.00 0.57 0.23 -1.20 -0.69 0.00 0.00 174.62 173.52 3dkh n SER 135 N 3.03 -0.62 -3.80 3.53 7.64 0.28 -4.29 113.62 119.40 3dkh n SER 135 Ca -0.18 -2.11 -0.10 0.00 1.01 0.00 0.00 58.87 57.50 3dkh n SER 135 Cb 0.52 1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 64.88 3dkh n SER 135 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3dkh s TRP 136 N -3.43 0.04 0.18 1.43 1.48 -1.17 -0.64 118.94 116.83 3dkh s TRP 136 Ca 0.18 -0.41 0.09 0.00 -1.06 0.00 0.00 56.10 54.91 3dkh s TRP 136 Cb 0.00 0.02 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 3dkh s TRP 136 CO 0.13 -0.56 -0.18 1.52 -4.06 0.00 0.00 176.95 173.79 3dkh s TYR 137 N -3.62 1.87 0.07 1.66 -0.85 -0.54 -1.62 117.35 114.32 3dkh s TYR 137 Ca 0.03 -0.46 -0.27 0.00 -0.52 0.00 0.00 57.07 55.84 3dkh s TYR 137 Cb 0.03 -0.92 0.08 0.00 0.38 0.00 0.00 41.96 41.54 3dkh s TYR 137 CO -0.10 0.37 0.95 -3.38 -1.52 0.00 0.00 175.55 171.87 3dkh s HIS 138 N -2.16 -0.21 0.66 -3.49 -3.43 -0.85 -1.43 115.29 104.38 3dkh s HIS 138 Ca 0.18 -0.01 -0.14 0.00 -0.80 0.00 0.00 55.06 54.28 3dkh s HIS 138 Cb -0.05 0.59 -0.00 0.00 -1.43 0.00 0.00 32.58 31.69 3dkh s HIS 138 CO 0.07 -0.67 1.09 0.45 -2.00 0.00 0.00 174.74 173.68 3dkh s SER 139 N -2.74 5.21 -0.14 7.38 0.15 -0.90 -0.07 113.70 122.59 3dkh s SER 139 Ca 0.09 1.92 0.15 0.00 0.70 0.00 0.00 55.95 58.82 3dkh s SER 139 Cb -0.01 -2.54 0.39 0.00 -1.71 0.00 0.00 66.02 62.15 3dkh s SER 139 CO -0.03 -1.56 1.19 1.57 1.20 0.00 0.00 173.24 175.61 3dkh n HIS 140 N -2.48 0.00 -3.36 3.44 -0.00 -1.22 -4.51 115.22 107.09 3dkh n HIS 140 Ca 0.10 -1.12 -0.46 0.00 0.46 0.00 0.00 57.72 56.70 3dkh n HIS 140 Cb 0.52 -0.20 -0.02 0.00 -0.12 0.00 0.00 29.99 30.17 3dkh n HIS 140 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 3dkh s PHE 141 N -2.20 3.90 0.00 1.57 5.36 -1.26 -4.21 117.98 121.14 3dkh s PHE 141 Ca 0.35 -2.25 0.00 0.00 -0.96 0.00 0.00 56.93 54.07 3dkh s PHE 141 Cb 0.35 -3.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.24 3dkh s PHE 141 CO -0.08 -0.97 0.00 0.43 -1.46 0.00 0.00 175.22 173.14 3dkh n SER 142 N 3.55 0.00 -1.55 6.13 7.64 -1.09 -1.64 113.62 126.65 3dkh n SER 142 Ca 0.17 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 3dkh n SER 142 Cb 0.44 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.81 3dkh n SER 142 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dkh n ALA 143 N 12.59 4.83 0.06 -0.43 0.00 -1.26 -4.74 120.51 131.56 3dkh n ALA 143 Ca 0.00 -3.19 0.19 0.00 0.00 0.00 0.00 53.44 50.44 3dkh n ALA 143 Cb 0.00 -0.94 0.72 0.00 0.00 0.00 0.00 19.45 19.23 3dkh n ALA 143 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3dkh h GLN 144 N 1.18 0.00 0.00 0.00 4.15 -1.63 -0.42 115.11 118.39 3dkh h GLN 144 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.77 3dkh h GLN 144 Cb 1.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.52 3dkh h GLN 144 CO 0.67 0.00 0.00 2.48 -1.93 0.00 0.00 178.83 180.05 3dkh n TYR 145 N -4.21 0.00 1.10 3.99 0.18 -1.26 -1.82 117.16 115.13 3dkh n TYR 145 Ca 0.07 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.99 3dkh n TYR 145 Cb 0.54 -0.35 0.54 0.00 -0.38 0.00 0.00 39.34 39.68 3dkh n TYR 145 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3dkh n GLY 146 N 0.11 -1.33 0.09 -7.48 0.00 -0.17 -3.22 105.19 93.19 3dkh n GLY 146 Ca 0.06 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.97 3dkh n GLY 146 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dkh n ASN 147 N -1.39 0.63 0.00 1.61 3.02 -0.76 -4.59 115.26 113.77 3dkh n ASN 147 Ca 0.08 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 3dkh n ASN 147 Cb 0.32 0.76 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 3dkh n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dkh n GLY 148 N 1.27 -0.42 3.19 7.41 0.00 -1.18 -2.68 105.19 112.78 3dkh n GLY 148 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3dkh n GLY 148 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dkh n VAL 149 N 0.00 3.32 -3.84 1.61 0.31 -1.11 -4.54 118.33 114.08 3dkh n VAL 149 Ca 0.00 -3.20 -0.10 0.00 -0.01 0.00 0.00 64.34 61.03 3dkh n VAL 149 Cb 0.00 -2.43 -0.08 0.00 -0.91 0.00 0.00 33.84 30.42 3dkh n VAL 149 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dkh s VAL 150 N 4.59 0.12 0.11 2.52 0.11 -1.26 -2.12 120.40 124.47 3dkh s VAL 150 Ca 0.53 -1.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.35 3dkh s VAL 150 Cb 0.09 -1.11 0.08 0.00 -1.53 0.00 0.00 36.38 33.91 3dkh s VAL 150 CO 0.02 -0.55 1.07 0.61 -3.33 0.00 0.00 175.10 172.92 3dkh n GLY 151 N 0.33 0.50 3.54 6.54 0.00 -0.51 -0.22 105.19 115.36 3dkh n GLY 151 Ca -0.17 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 3dkh n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dkh s THR 152 N -2.06 2.98 -0.12 2.61 -4.23 -1.26 -1.47 115.64 112.10 3dkh s THR 152 Ca 0.24 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3dkh s THR 152 Cb -0.02 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.36 3dkh s THR 152 CO 0.03 -0.14 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.20 3dkh s ILE 153 N -1.78 1.45 -0.31 2.99 1.01 0.19 -1.94 121.20 122.80 3dkh s ILE 153 Ca 0.25 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.33 3dkh s ILE 153 Cb -0.08 -1.34 0.09 0.00 0.01 0.00 0.00 42.46 41.13 3dkh s ILE 153 CO 0.14 0.43 0.03 -1.58 0.00 0.00 0.00 174.94 173.97 3dkh s GLN 154 N 1.19 1.43 -0.42 2.79 0.74 0.18 -0.55 119.66 125.02 3dkh s GLN 154 Ca -0.02 -1.58 -0.15 0.00 0.05 0.00 0.00 55.36 53.65 3dkh s GLN 154 Cb -0.14 -2.88 0.03 0.00 1.10 0.00 0.00 33.01 31.12 3dkh s GLN 154 CO -0.05 -0.87 0.33 0.42 -0.55 0.00 0.00 175.29 174.57 3dkh s ILE 155 N 1.11 5.24 0.31 -2.34 -1.09 -0.43 -2.32 121.20 121.68 3dkh s ILE 155 Ca 0.07 -0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 57.50 3dkh s ILE 155 Cb -0.19 -3.98 -0.10 0.00 -1.58 0.00 0.00 42.46 36.62 3dkh s ILE 155 CO -0.11 -0.37 1.24 0.20 -1.23 0.00 0.00 174.94 174.67 3dkh s ASN 156 N 1.85 6.95 0.00 3.58 0.01 0.05 -0.25 114.94 127.14 3dkh s ASN 156 Ca 0.06 2.54 0.00 0.00 -0.71 0.00 0.00 52.86 54.74 3dkh s ASN 156 Cb -0.20 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.82 3dkh s ASN 156 CO 0.10 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 3dkh n GLY 157 N 0.97 1.45 3.72 0.66 0.00 -1.26 -1.08 105.19 109.64 3dkh n GLY 157 Ca -0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 3dkh n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dkh s PRO 158 N -1.74 0.27 0.18 1.61 0.04 -1.26 -5.01 135.00 129.09 3dkh s PRO 158 Ca 0.00 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.26 3dkh s PRO 158 Cb 0.00 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 3dkh s PRO 158 CO 0.00 -2.77 0.05 0.00 0.04 0.00 0.00 177.00 174.32 3dkh s ALA 159 N -3.17 1.31 -2.18 8.56 0.00 0.61 -4.97 121.76 121.92 3dkh s ALA 159 Ca 0.67 -1.64 0.19 0.00 0.00 0.00 0.00 51.96 51.19 3dkh s ALA 159 Cb -0.14 0.80 0.53 0.00 0.00 0.00 0.00 23.12 24.31 3dkh s ALA 159 CO 0.55 -0.41 1.43 -1.13 0.00 0.00 0.00 175.76 176.21 3dkh n SER 160 N -0.26 2.77 -3.63 0.00 3.41 -1.26 -3.61 113.62 111.04 3dkh n SER 160 Ca -0.04 -1.94 -0.15 0.00 -0.26 0.00 0.00 58.87 56.49 3dkh n SER 160 Cb 0.64 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 3dkh n SER 160 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3dkh s LEU 161 N -1.25 -0.42 0.24 1.04 2.96 -1.26 -4.66 118.68 115.33 3dkh s LEU 161 Ca 0.36 1.06 -0.30 0.00 -0.22 0.00 0.00 54.13 55.03 3dkh s LEU 161 Cb 0.20 2.23 -0.09 0.00 0.50 0.00 0.00 46.19 49.03 3dkh s LEU 161 CO 0.27 -0.34 1.19 -2.84 -1.32 0.00 0.00 176.35 173.30 3dkh s PRO 162 N -0.18 4.52 0.03 0.98 0.02 -1.26 -4.76 135.00 134.35 3dkh s PRO 162 Ca -0.04 1.91 -0.09 0.00 0.02 0.00 0.00 61.00 62.80 3dkh s PRO 162 Cb -0.03 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3dkh s PRO 162 CO 0.04 -0.01 0.19 1.52 -0.33 0.00 0.00 177.00 178.41 3dkh s TYR 163 N -0.58 0.04 -0.20 6.54 -0.85 -1.16 -4.95 117.35 116.19 3dkh s TYR 163 Ca 0.50 -0.24 -0.16 0.00 -0.52 0.00 0.00 57.07 56.65 3dkh s TYR 163 Cb -0.34 -0.03 -0.10 0.00 0.38 0.00 0.00 41.96 41.88 3dkh s TYR 163 CO 0.41 -0.42 -0.17 -0.25 -1.52 0.00 0.00 175.55 173.60 3dkh n ASP 164 N 0.77 1.89 -4.59 -0.18 8.00 -0.43 -4.37 116.55 117.63 3dkh n ASP 164 Ca -0.19 0.44 -0.34 0.00 0.71 0.00 0.00 54.79 55.41 3dkh n ASP 164 Cb 0.58 -0.85 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 3dkh n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dkh s ILE 165 N -2.50 3.74 -0.38 0.53 1.09 -1.09 -4.91 121.20 117.68 3dkh s ILE 165 Ca -0.27 -0.48 -0.06 0.00 -1.10 0.00 0.00 60.65 58.73 3dkh s ILE 165 Cb 0.07 -2.54 0.07 0.00 -1.06 0.00 0.00 42.46 39.00 3dkh s ILE 165 CO 0.43 0.59 0.18 -0.62 -0.10 0.00 0.00 174.94 175.41 3dkh s ASP 166 N -0.85 5.39 0.00 3.58 -1.08 -1.26 -0.19 116.67 122.25 3dkh s ASP 166 Ca 0.13 -1.50 0.17 0.00 -0.52 0.00 0.00 52.55 50.83 3dkh s ASP 166 Cb -0.11 -1.89 0.84 0.00 -1.46 0.00 0.00 42.92 40.30 3dkh s ASP 166 CO 0.02 -0.45 1.52 0.18 0.52 0.00 0.00 175.17 176.96 3dkh n LEU 167 N 4.79 0.00 0.00 -1.34 4.77 0.03 -4.95 117.00 120.31 3dkh n LEU 167 Ca -0.09 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3dkh n LEU 167 Cb 0.43 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3dkh n LEU 167 CO 0.34 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3dkh n GLY 168 N 0.20 -0.64 3.77 -0.72 0.00 -1.26 -4.91 105.19 101.64 3dkh n GLY 168 Ca 0.07 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 3dkh n GLY 168 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dkh s VAL 169 N 0.00 3.35 -0.39 1.61 -7.23 -1.26 -2.27 120.40 114.21 3dkh s VAL 169 Ca 0.00 1.24 0.07 0.00 -1.81 0.00 0.00 61.98 61.48 3dkh s VAL 169 Cb 0.00 -3.74 0.24 0.00 0.56 0.00 0.00 36.38 33.44 3dkh s VAL 169 CO 0.00 0.20 0.50 0.33 -0.31 0.00 0.00 175.10 175.82 3dkh n PHE 170 N 0.61 -0.41 -2.33 2.82 7.35 0.59 -4.90 117.46 121.20 3dkh n PHE 170 Ca 0.02 -3.53 -0.42 0.00 -0.76 0.00 0.00 57.45 52.75 3dkh n PHE 170 Cb 0.46 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 39.99 3dkh n PHE 170 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3dkh s PRO 171 N -1.03 4.36 -0.22 -7.13 0.04 -1.26 -2.70 135.00 127.06 3dkh s PRO 171 Ca 0.35 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 3dkh s PRO 171 Cb 0.15 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3dkh s PRO 171 CO -0.12 -0.40 -0.07 0.42 0.04 0.00 0.00 177.00 176.88 3dkh s ILE 172 N 1.54 3.10 0.11 0.56 1.01 0.55 -1.04 121.20 127.02 3dkh s ILE 172 Ca 0.61 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.64 3dkh s ILE 172 Cb -0.31 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3dkh s ILE 172 CO 0.28 0.40 -0.09 0.28 0.00 0.00 0.00 174.94 175.80 3dkh s THR 173 N 1.43 0.94 0.48 2.92 -1.32 -0.24 -2.36 115.64 117.49 3dkh s THR 173 Ca 0.05 -1.84 -0.16 0.00 -1.21 0.00 0.00 61.69 58.53 3dkh s THR 173 Cb -0.14 -1.58 -0.08 0.00 -1.51 0.00 0.00 72.50 69.18 3dkh s THR 173 CO -0.05 -0.70 0.94 1.51 -2.21 0.00 0.00 174.62 174.11 3dkh s ASP 174 N -2.81 6.65 -0.05 8.08 1.47 -1.26 -0.61 116.67 128.14 3dkh s ASP 174 Ca 0.10 1.51 -0.00 0.00 1.18 0.00 0.00 52.55 55.34 3dkh s ASP 174 Cb 0.01 -2.48 0.03 0.00 -0.34 0.00 0.00 42.92 40.13 3dkh s ASP 174 CO -0.01 -0.52 -0.02 -0.47 0.68 0.00 0.00 175.17 174.83 3dkh s TYR 175 N -2.51 0.64 -0.02 2.11 5.04 0.20 -4.78 117.35 118.04 3dkh s TYR 175 Ca 0.58 -0.16 0.07 0.00 -2.44 0.00 0.00 57.07 55.13 3dkh s TYR 175 Cb -0.10 -0.69 -0.02 0.00 0.35 0.00 0.00 41.96 41.51 3dkh s TYR 175 CO 0.29 -0.25 -0.24 0.71 -1.34 0.00 0.00 175.55 174.72 3dkh s TYR 176 N 1.42 2.15 0.19 4.97 1.51 -1.26 -1.06 117.35 125.28 3dkh s TYR 176 Ca -0.03 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 55.67 3dkh s TYR 176 Cb -0.13 -1.39 0.08 0.00 -0.11 0.00 0.00 41.96 40.42 3dkh s TYR 176 CO -0.03 -0.04 1.44 1.88 -1.11 0.00 0.00 175.55 177.70 3dkh h TYR 177 N 5.55 0.17 -3.80 2.71 0.05 -1.98 -3.44 116.97 116.23 3dkh h TYR 177 Ca -0.41 -0.09 -0.48 0.00 0.05 0.00 0.00 58.73 57.80 3dkh h TYR 177 Cb 1.13 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.83 3dkh h TYR 177 CO 0.39 0.86 0.35 1.03 -1.05 0.00 0.00 178.16 179.74 3dkh s ARG 178 N -3.30 4.77 0.67 4.88 1.81 -1.26 -4.30 118.95 122.22 3dkh s ARG 178 Ca -0.02 1.44 -0.15 0.00 -1.72 0.00 0.00 55.73 55.28 3dkh s ARG 178 Cb 0.11 -3.12 0.01 0.00 -0.45 0.00 0.00 34.95 31.50 3dkh s ARG 178 CO 0.81 0.44 1.12 0.00 -0.68 0.00 0.00 175.30 176.98 3dkh s ALA 179 N -1.33 2.41 0.25 2.13 0.00 -1.26 -4.86 121.76 119.10 3dkh s ALA 179 Ca 0.44 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 3dkh s ALA 179 Cb -0.24 -3.34 0.40 0.00 0.00 0.00 0.00 23.12 19.94 3dkh s ALA 179 CO 0.29 -1.38 1.84 0.00 0.00 0.00 0.00 175.76 176.52 3dkh h ALA 180 N -0.06 1.27 0.00 0.00 0.00 -1.86 -2.17 119.26 116.44 3dkh h ALA 180 Ca -0.47 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3dkh h ALA 180 Cb 1.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3dkh h ALA 180 CO 0.53 0.25 -0.30 -0.44 0.00 0.00 0.00 179.25 179.29 3dkh h ASP 181 N 0.96 0.00 0.52 0.00 3.32 -1.93 -0.85 116.42 118.44 3dkh h ASP 181 Ca 0.41 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.21 3dkh h ASP 181 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3dkh h ASP 181 CO -0.21 0.30 -1.11 0.44 -1.72 0.00 0.00 179.24 176.94 3dkh h ASP 182 N 0.00 0.46 1.01 6.45 3.32 -1.84 -3.05 116.42 122.76 3dkh h ASP 182 Ca -0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 3dkh h ASP 182 Cb 0.67 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3dkh h ASP 182 CO 0.04 1.29 -0.53 -0.07 -1.72 0.00 0.00 179.24 178.25 3dkh h LEU 183 N 0.13 0.00 -0.34 1.55 3.38 -1.05 -1.28 115.31 117.71 3dkh h LEU 183 Ca -0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 3dkh h LEU 183 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 3dkh h LEU 183 CO 0.19 0.53 -0.70 0.58 0.09 0.00 0.00 178.44 179.13 3dkh h VAL 184 N 0.00 1.32 -0.26 1.22 2.07 -1.21 -0.30 116.25 119.09 3dkh h VAL 184 Ca -0.01 -1.98 -0.14 0.00 0.82 0.00 0.00 66.70 65.39 3dkh h VAL 184 Cb 1.17 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 3dkh h VAL 184 CO 0.07 0.61 -0.43 -0.74 0.02 0.00 0.00 177.57 177.10 3dkh h HIS 185 N 0.43 0.77 0.15 1.57 -0.00 -1.41 -2.58 115.15 114.09 3dkh h HIS 185 Ca -0.03 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.10 3dkh h HIS 185 Cb 1.29 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 3dkh h HIS 185 CO 0.06 0.96 -0.07 0.35 -0.00 0.00 0.00 177.93 179.23 3dkh h PHE 186 N 0.52 -0.19 0.00 5.26 3.57 -1.12 -3.25 116.94 121.74 3dkh h PHE 186 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dkh h PHE 186 Cb 0.96 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3dkh h PHE 186 CO 0.04 0.20 0.00 1.79 -2.23 0.00 0.00 178.31 178.12 3dkh h THR 187 N -0.64 0.00 -0.13 4.41 1.35 -1.07 0.62 112.91 117.44 3dkh h THR 187 Ca -0.02 -0.15 -0.10 0.00 -0.55 0.00 0.00 66.41 65.59 3dkh h THR 187 Cb 0.48 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 3dkh h THR 187 CO 0.03 0.00 -0.37 1.56 -0.25 0.00 0.00 175.52 176.50 3dkh h GLN 188 N 0.00 0.28 -0.00 4.72 4.20 -1.48 -3.28 115.11 119.55 3dkh h GLN 188 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3dkh h GLN 188 Cb 0.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3dkh h GLN 188 CO 0.00 0.61 -0.10 0.09 -0.67 0.00 0.00 178.83 178.76 3dkh n ASN 189 N -4.06 0.34 -4.30 1.46 3.02 -0.92 0.00 115.26 110.81 3dkh n ASN 189 Ca -0.01 -0.67 -0.16 0.00 -0.03 0.00 0.00 54.58 53.70 3dkh n ASN 189 Cb 0.45 0.81 -0.10 0.00 -0.61 0.00 0.00 39.78 40.33 3dkh n ASN 189 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3dkh s ASN 190 N -1.06 1.98 0.37 6.41 0.01 0.16 -4.90 114.94 117.92 3dkh s ASN 190 Ca 0.01 -1.09 -0.26 0.00 -0.71 0.00 0.00 52.86 50.81 3dkh s ASN 190 Cb 0.02 -0.03 -0.09 0.00 0.41 0.00 0.00 41.25 41.56 3dkh s ASN 190 CO 0.10 -0.37 1.14 0.00 -1.51 0.00 0.00 177.10 176.46 3dkh s ALA 191 N -3.28 3.21 0.20 0.60 0.00 -1.26 -4.27 121.76 116.95 3dkh s ALA 191 Ca 0.22 0.92 -0.32 0.00 0.00 0.00 0.00 51.96 52.78 3dkh s ALA 191 Cb 0.03 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.65 3dkh s ALA 191 CO 0.05 -0.40 1.35 -0.35 0.00 0.00 0.00 175.76 176.40 3dkh n PRO 192 N 0.31 1.73 -1.97 0.00 -0.04 -1.26 -4.86 135.00 128.90 3dkh n PRO 192 Ca 0.03 0.62 -0.28 0.00 -0.04 0.00 0.00 63.50 63.82 3dkh n PRO 192 Cb 0.46 -2.24 0.08 0.00 -0.04 0.00 0.00 33.50 31.76 3dkh n PRO 192 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3dkh s PRO 193 N -0.18 2.17 0.54 0.54 0.04 -1.26 -5.07 135.00 131.78 3dkh s PRO 193 Ca 0.72 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 3dkh s PRO 193 Cb -0.73 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 3dkh s PRO 193 CO 0.49 -1.42 0.94 -0.06 0.04 0.00 0.00 177.00 176.99 3dkh s PHE 194 N -3.46 3.55 0.60 0.56 0.40 -1.26 -4.86 117.98 113.51 3dkh s PHE 194 Ca 0.61 1.21 -0.15 0.00 -0.60 0.00 0.00 56.93 57.99 3dkh s PHE 194 Cb -0.11 -2.62 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 3dkh s PHE 194 CO 0.48 -0.46 1.05 -1.54 0.70 0.00 0.00 175.22 175.46 3dkh s SER 195 N -3.77 5.79 0.11 1.36 1.04 -0.65 -4.77 113.70 112.81 3dkh s SER 195 Ca 0.54 1.78 0.05 0.00 0.48 0.00 0.00 55.95 58.80 3dkh s SER 195 Cb -0.11 -2.53 -0.22 0.00 0.10 0.00 0.00 66.02 63.26 3dkh s SER 195 CO 0.44 -1.16 1.25 0.44 0.98 0.00 0.00 173.24 175.19 3dkh h ASP 196 N 0.35 0.07 -5.03 7.02 3.32 -1.45 0.39 116.42 121.10 3dkh h ASP 196 Ca -0.47 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 56.58 3dkh h ASP 196 Cb 1.22 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 3dkh h ASP 196 CO 0.58 1.06 0.26 0.21 -1.72 0.00 0.00 179.24 179.63 3dkh s ASN 197 N -6.78 -0.30 -0.20 6.45 3.84 -0.91 -3.90 114.94 113.15 3dkh s ASN 197 Ca 0.00 -0.48 0.00 0.00 0.21 0.00 0.00 52.86 52.60 3dkh s ASN 197 Cb 0.09 0.68 0.05 0.00 -0.55 0.00 0.00 41.25 41.52 3dkh s ASN 197 CO 0.83 -1.23 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.15 3dkh s VAL 198 N -3.81 1.42 0.00 -5.21 1.01 -1.26 -0.63 120.40 111.92 3dkh s VAL 198 Ca 0.09 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 3dkh s VAL 198 Cb -0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3dkh s VAL 198 CO 0.03 0.07 0.80 -0.76 0.00 0.00 0.00 175.10 175.24 3dkh s LEU 199 N 1.48 4.39 -0.22 3.92 1.43 0.23 -4.73 118.68 125.18 3dkh s LEU 199 Ca -0.02 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 3dkh s LEU 199 Cb -0.17 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 42.82 3dkh s LEU 199 CO -0.07 -0.09 -0.14 -0.63 0.23 0.00 0.00 176.35 175.64 3dkh s ILE 200 N 0.46 2.25 -1.50 -0.59 1.01 -0.08 -1.07 121.20 121.68 3dkh s ILE 200 Ca 0.41 -1.24 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 3dkh s ILE 200 Cb -0.20 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.16 3dkh s ILE 200 CO 0.23 0.25 0.62 -3.20 0.00 0.00 0.00 174.94 172.84 3dkh n ASN 201 N 4.55 -5.66 0.00 3.58 5.15 -0.21 -1.89 115.26 120.77 3dkh n ASN 201 Ca -0.17 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 3dkh n ASN 201 Cb 0.46 -4.58 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 3dkh n ASN 201 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dkh n GLY 202 N -1.49 0.82 3.22 8.20 0.00 -1.26 -5.02 105.19 109.67 3dkh n GLY 202 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3dkh n GLY 202 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dkh s THR 203 N -3.24 1.24 -0.03 2.61 -4.23 -0.79 -4.77 115.64 106.42 3dkh s THR 203 Ca 0.00 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 58.57 3dkh s THR 203 Cb 0.00 -1.44 0.11 0.00 1.34 0.00 0.00 72.50 72.50 3dkh s THR 203 CO 0.00 -0.41 0.91 0.00 -0.54 0.00 0.00 174.62 174.57 3dkh s ALA 204 N -2.07 -1.84 -0.10 3.99 0.00 -1.06 -0.90 121.76 119.78 3dkh s ALA 204 Ca 0.07 1.11 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 3dkh s ALA 204 Cb -0.05 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 3dkh s ALA 204 CO 0.02 -0.63 0.14 0.08 0.00 0.00 0.00 175.76 175.37 3dkh s VAL 205 N -2.81 5.40 -0.06 0.00 1.01 -1.26 -3.63 120.40 119.05 3dkh s VAL 205 Ca 0.04 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 3dkh s VAL 205 Cb -0.01 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3dkh s VAL 205 CO -0.07 0.56 1.07 0.21 0.00 0.00 0.00 175.10 176.87 3dkh s ASN 206 N -1.20 7.20 0.28 3.32 3.84 -0.75 -4.95 114.94 122.68 3dkh s ASN 206 Ca 0.17 1.66 0.25 0.00 0.21 0.00 0.00 52.86 55.16 3dkh s ASN 206 Cb -0.12 -2.56 0.96 0.00 -0.55 0.00 0.00 41.25 38.98 3dkh s ASN 206 CO 0.07 -0.46 1.75 1.55 -2.79 0.00 0.00 177.10 177.22 3dkh h PRO 207 N 7.13 0.00 0.02 0.43 0.13 -1.92 -1.73 132.00 136.05 3dkh h PRO 207 Ca -0.34 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.41 3dkh h PRO 207 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 3dkh h PRO 207 CO 0.84 0.00 -2.16 0.09 -0.23 0.00 0.00 178.00 176.54 3dkh n ASN 208 N -2.33 1.96 -0.06 1.44 3.02 -1.26 -4.74 115.26 113.28 3dkh n ASN 208 Ca 0.03 0.24 -0.19 0.00 -0.03 0.00 0.00 54.58 54.63 3dkh n ASN 208 Cb 0.29 -0.78 -0.13 0.00 -0.61 0.00 0.00 39.78 38.55 3dkh n ASN 208 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3dkh n THR 209 N -3.99 1.63 0.00 3.41 -2.24 -1.25 -5.02 114.28 106.82 3dkh n THR 209 Ca -0.45 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 3dkh n THR 209 Cb 0.88 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 3dkh n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dkh n GLY 210 N 2.10 0.42 3.79 3.38 0.00 -0.65 -5.04 105.19 109.19 3dkh n GLY 210 Ca -0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 3dkh n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkh s GLU 211 N -0.98 2.54 0.32 1.61 2.02 -1.26 -4.63 118.70 118.31 3dkh s GLU 211 Ca 0.00 1.11 0.00 0.00 0.02 0.00 0.00 54.97 56.10 3dkh s GLU 211 Cb 0.00 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3dkh s GLU 211 CO 0.00 -1.42 0.00 0.41 0.02 0.00 0.00 175.26 174.27 3dkh n GLY 212 N -1.44 -1.82 3.19 -1.39 0.00 -1.26 -1.80 105.19 100.66 3dkh n GLY 212 Ca 0.09 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 3dkh n GLY 212 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dkh s GLN 213 N 0.00 0.61 0.45 1.61 -2.07 -1.24 -4.90 119.66 114.12 3dkh s GLN 213 Ca 0.00 -0.31 -0.18 0.00 -1.82 0.00 0.00 55.36 53.05 3dkh s GLN 213 Cb 0.00 0.26 -0.09 0.00 -1.09 0.00 0.00 33.01 32.09 3dkh s GLN 213 CO 0.00 -0.16 0.94 0.71 -1.32 0.00 0.00 175.29 175.46 3dkh s TYR 214 N -1.46 3.38 0.24 9.60 2.02 -1.26 -2.57 117.35 127.30 3dkh s TYR 214 Ca -0.13 1.50 -0.30 0.00 -0.37 0.00 0.00 57.07 57.77 3dkh s TYR 214 Cb -0.06 -2.78 -0.10 0.00 -0.40 0.00 0.00 41.96 38.62 3dkh s TYR 214 CO 0.03 -0.19 1.36 0.00 -1.57 0.00 0.00 175.55 175.17 3dkh s ALA 215 N -2.35 3.56 -0.30 3.71 0.00 -1.26 -4.80 121.76 120.32 3dkh s ALA 215 Ca 0.60 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.78 3dkh s ALA 215 Cb -0.09 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3dkh s ALA 215 CO 0.21 -0.63 -0.02 1.21 0.00 0.00 0.00 175.76 176.54 3dkh s ASN 216 N 0.18 4.74 -0.30 0.00 3.84 -1.26 -0.09 114.94 122.06 3dkh s ASN 216 Ca 0.56 -1.48 -0.07 0.00 0.21 0.00 0.00 52.86 52.08 3dkh s ASN 216 Cb -0.39 -1.65 0.01 0.00 -0.55 0.00 0.00 41.25 38.66 3dkh s ASN 216 CO 0.43 -0.27 0.09 -0.69 -2.79 0.00 0.00 177.10 173.86 3dkh s VAL 217 N 1.15 4.01 -0.35 -5.21 1.01 -0.64 -4.99 120.40 115.37 3dkh s VAL 217 Ca -0.04 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 3dkh s VAL 217 Cb -0.20 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3dkh s VAL 217 CO -0.04 0.08 0.68 -0.89 0.00 0.00 0.00 175.10 174.93 3dkh s THR 218 N 1.51 4.84 -0.08 3.92 2.01 -1.26 -0.68 115.64 125.90 3dkh s THR 218 Ca 0.03 0.70 -0.14 0.00 0.31 0.00 0.00 61.69 62.58 3dkh s THR 218 Cb -0.17 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 3dkh s THR 218 CO 0.03 -0.34 0.36 -0.76 -0.69 0.00 0.00 174.62 173.22 3dkh s LEU 219 N 2.82 4.36 -0.27 4.42 1.43 0.18 -4.92 118.68 126.70 3dkh s LEU 219 Ca 0.27 0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 53.90 3dkh s LEU 219 Cb -0.14 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 3dkh s LEU 219 CO 0.15 0.20 0.70 -0.89 0.23 0.00 0.00 176.35 176.75 3dkh s THR 220 N -0.28 4.90 -0.07 5.49 2.01 -1.26 -0.59 115.64 125.84 3dkh s THR 220 Ca 0.21 1.17 -0.34 0.00 0.31 0.00 0.00 61.69 63.04 3dkh s THR 220 Cb -0.15 -4.03 -0.11 0.00 0.01 0.00 0.00 72.50 68.22 3dkh s THR 220 CO 0.09 -0.09 1.89 -0.81 -0.69 0.00 0.00 174.62 175.01 3dkh n PRO 221 N 5.91 2.25 -0.06 4.92 -0.04 -1.26 -2.53 135.00 144.20 3dkh n PRO 221 Ca 0.01 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 3dkh n PRO 221 Cb 0.48 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 3dkh n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dkh n GLY 222 N 4.41 0.55 3.88 0.55 0.00 -0.52 -5.05 105.19 109.01 3dkh n GLY 222 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3dkh n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dkh s LYS 223 N -0.82 3.33 -0.12 1.61 -0.14 -1.05 -4.85 119.74 117.70 3dkh s LYS 223 Ca 0.00 -0.41 -0.25 0.00 -1.36 0.00 0.00 55.97 53.95 3dkh s LYS 223 Cb 0.00 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 3dkh s LYS 223 CO 0.00 0.64 0.79 1.03 -0.76 0.00 0.00 175.35 177.05 3dkh s ARG 224 N -2.10 4.36 -0.12 1.68 3.00 -1.26 -2.62 118.95 121.89 3dkh s ARG 224 Ca 0.29 0.98 -0.01 0.00 0.00 0.00 0.00 55.73 56.99 3dkh s ARG 224 Cb -0.13 -3.52 -0.02 0.00 0.00 0.00 0.00 34.95 31.28 3dkh s ARG 224 CO 0.21 -0.17 -0.10 -1.01 0.00 0.00 0.00 175.30 174.23 3dkh s HIS 225 N 1.60 2.88 -0.16 -0.53 3.76 -0.06 -1.32 115.29 121.46 3dkh s HIS 225 Ca 0.39 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 54.73 3dkh s HIS 225 Cb -0.17 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 3dkh s HIS 225 CO 0.15 -0.05 0.38 0.50 -0.85 0.00 0.00 174.74 174.88 3dkh s ARG 226 N 0.09 4.27 -0.10 1.40 3.52 0.73 0.14 118.95 128.99 3dkh s ARG 226 Ca -0.04 0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.82 3dkh s ARG 226 Cb -0.14 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 3dkh s ARG 226 CO 0.04 0.14 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.35 3dkh s LEU 227 N 0.73 1.70 -0.79 -0.88 2.96 0.14 -0.79 118.68 121.75 3dkh s LEU 227 Ca 0.20 -0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 53.57 3dkh s LEU 227 Cb -0.14 -1.05 0.21 0.00 0.50 0.00 0.00 46.19 45.71 3dkh s LEU 227 CO 0.07 0.02 0.73 -0.13 -1.32 0.00 0.00 176.35 175.71 3dkh s ARG 228 N 0.93 3.49 -0.18 1.98 0.52 -0.96 -0.21 118.95 124.52 3dkh s ARG 228 Ca -0.08 -2.42 -0.26 0.00 -0.52 0.00 0.00 55.73 52.45 3dkh s ARG 228 Cb -0.15 -4.37 -0.01 0.00 0.52 0.00 0.00 34.95 30.94 3dkh s ARG 228 CO -0.00 -1.28 0.86 0.42 0.02 0.00 0.00 175.30 175.31 3dkh s ILE 229 N 0.24 4.86 0.17 1.52 1.01 0.02 -0.30 121.20 128.72 3dkh s ILE 229 Ca 0.17 1.67 0.10 0.00 0.00 0.00 0.00 60.65 62.60 3dkh s ILE 229 Cb -0.12 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 3dkh s ILE 229 CO -0.08 -0.00 -0.22 -0.76 0.00 0.00 0.00 174.94 173.88 3dkh s LEU 230 N 2.29 2.41 -0.44 2.97 1.02 -1.10 -0.33 118.68 125.51 3dkh s LEU 230 Ca 0.39 -0.84 0.01 0.00 0.02 0.00 0.00 54.13 53.71 3dkh s LEU 230 Cb -0.16 -1.05 0.12 0.00 0.02 0.00 0.00 46.19 45.11 3dkh s LEU 230 CO 0.12 0.08 0.19 0.21 0.02 0.00 0.00 176.35 176.96 3dkh s ASN 231 N -2.54 4.84 0.00 2.29 3.84 -0.63 -0.33 114.94 122.41 3dkh s ASN 231 Ca 0.17 -2.42 0.17 0.00 0.21 0.00 0.00 52.86 50.99 3dkh s ASN 231 Cb -0.08 -1.71 0.51 0.00 -0.55 0.00 0.00 41.25 39.42 3dkh s ASN 231 CO 0.08 -0.38 1.41 0.35 -2.79 0.00 0.00 177.10 175.76 3dkh n THR 232 N 3.97 0.47 -0.59 -5.21 -2.24 -0.99 -1.22 114.28 108.46 3dkh n THR 232 Ca 0.03 -0.54 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 3dkh n THR 232 Cb 0.39 0.40 0.21 0.00 -2.10 0.00 0.00 70.33 69.23 3dkh n THR 232 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3dkh n SER 233 N 0.74 -1.87 -0.07 3.42 7.64 -1.26 -4.89 113.62 117.33 3dkh n SER 233 Ca 0.16 -0.07 -0.06 0.00 1.01 0.00 0.00 58.87 59.92 3dkh n SER 233 Cb 0.39 -1.16 -0.14 0.00 -1.01 0.00 0.00 64.21 62.30 3dkh n SER 233 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dkh n THR 234 N -4.61 1.01 0.02 0.44 -2.24 -1.26 -4.74 114.28 102.90 3dkh n THR 234 Ca 0.03 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3dkh n THR 234 Cb 0.57 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3dkh n THR 234 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3dkh n GLU 235 N -2.57 0.00 -1.66 -0.78 0.00 -1.26 -0.18 120.64 114.19 3dkh n GLU 235 Ca -0.24 0.00 -0.47 0.00 0.00 0.00 0.00 57.16 56.44 3dkh n GLU 235 Cb 0.98 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.37 3dkh n GLU 235 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3dkh n ASN 236 N -2.62 2.93 -4.56 4.31 5.03 -1.26 -4.70 115.26 114.39 3dkh n ASN 236 Ca 0.00 1.08 -0.34 0.00 0.87 0.00 0.00 54.58 56.19 3dkh n ASN 236 Cb 0.00 -1.39 -0.11 0.00 -1.02 0.00 0.00 39.78 37.26 3dkh n ASN 236 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3dkh s HIS 237 N 1.22 3.12 0.10 3.10 3.76 -0.60 -4.42 115.29 121.57 3dkh s HIS 237 Ca 0.81 -0.13 0.05 0.00 -0.15 0.00 0.00 55.06 55.64 3dkh s HIS 237 Cb -0.72 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 3dkh s HIS 237 CO 0.41 0.06 0.02 -0.06 -0.85 0.00 0.00 174.74 174.31 3dkh s PHE 238 N 0.33 3.02 -0.17 1.40 0.08 -0.22 -4.84 117.98 117.59 3dkh s PHE 238 Ca -0.01 -0.01 -0.00 0.00 0.12 0.00 0.00 56.93 57.03 3dkh s PHE 238 Cb -0.13 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 3dkh s PHE 238 CO 0.02 0.49 -0.15 -0.65 -0.10 0.00 0.00 175.22 174.83 3dkh s GLN 239 N -2.39 3.19 -0.03 0.44 -0.21 -1.04 0.02 119.66 119.64 3dkh s GLN 239 Ca 0.27 -0.75 0.06 0.00 0.02 0.00 0.00 55.36 54.96 3dkh s GLN 239 Cb -0.12 -2.67 -0.02 0.00 1.00 0.00 0.00 33.01 31.20 3dkh s GLN 239 CO 0.19 -0.07 -0.21 0.14 -2.12 0.00 0.00 175.29 173.22 3dkh s VAL 240 N 1.02 2.46 0.01 1.09 -7.23 0.00 -0.98 120.40 116.78 3dkh s VAL 240 Ca -0.01 -0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 59.03 3dkh s VAL 240 Cb -0.15 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 34.91 3dkh s VAL 240 CO -0.03 0.57 0.32 -0.94 -0.31 0.00 0.00 175.10 174.71 3dkh s SER 241 N -0.71 -0.18 -0.14 4.85 1.04 -0.66 -1.29 113.70 116.61 3dkh s SER 241 Ca 0.11 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.54 3dkh s SER 241 Cb -0.10 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.38 3dkh s SER 241 CO -0.00 -0.53 -0.16 -0.22 0.98 0.00 0.00 173.24 173.31 3dkh s LEU 242 N -1.64 1.80 0.04 2.42 2.96 -1.26 0.46 118.68 123.46 3dkh s LEU 242 Ca -0.10 -0.51 -0.35 0.00 -0.22 0.00 0.00 54.13 52.95 3dkh s LEU 242 Cb -0.03 -1.23 -0.14 0.00 0.50 0.00 0.00 46.19 45.29 3dkh s LEU 242 CO 0.01 -0.01 1.61 0.52 -1.32 0.00 0.00 176.35 177.15 3dkh n VAL 243 N 4.53 0.17 -1.53 1.68 0.31 -0.54 -2.19 118.33 120.76 3dkh n VAL 243 Ca -0.18 -0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 63.94 3dkh n VAL 243 Cb 0.50 -1.40 -0.08 0.00 -0.91 0.00 0.00 33.84 31.95 3dkh n VAL 243 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dkh n ASN 244 N 4.14 -5.49 -4.11 4.52 3.02 -1.26 -4.81 115.26 111.28 3dkh n ASN 244 Ca 0.20 0.45 -0.13 0.00 -0.03 0.00 0.00 54.58 55.06 3dkh n ASN 244 Cb 0.25 -4.58 -0.11 0.00 -0.61 0.00 0.00 39.78 34.72 3dkh n ASN 244 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3dkh s HIS 245 N -2.57 0.82 0.17 3.10 3.76 -0.93 -4.90 115.29 114.73 3dkh s HIS 245 Ca 0.00 -0.59 0.06 0.00 -0.15 0.00 0.00 55.06 54.38 3dkh s HIS 245 Cb 0.00 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 3dkh s HIS 245 CO 0.00 -0.07 0.10 0.95 -0.85 0.00 0.00 174.74 174.87 3dkh s THR 246 N -1.92 4.26 -0.08 1.30 -4.23 -1.26 -4.52 115.64 109.19 3dkh s THR 246 Ca -0.03 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 3dkh s THR 246 Cb -0.06 -3.17 -0.00 0.00 1.34 0.00 0.00 72.50 70.60 3dkh s THR 246 CO -0.00 -0.11 -0.24 -0.04 -0.54 0.00 0.00 174.62 173.69 3dkh s MET 247 N -3.06 2.79 -0.36 3.99 -1.94 -0.35 -4.62 119.30 115.74 3dkh s MET 247 Ca 0.30 -0.87 -0.09 0.00 -1.71 0.00 0.00 55.69 53.32 3dkh s MET 247 Cb -0.10 -2.20 0.03 0.00 2.01 0.00 0.00 34.83 34.57 3dkh s MET 247 CO 0.22 0.25 0.17 0.99 -0.01 0.00 0.00 175.02 176.64 3dkh s THR 248 N 0.15 4.28 -0.06 2.05 2.01 -0.48 -1.18 115.64 122.41 3dkh s THR 248 Ca -0.13 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 3dkh s THR 248 Cb -0.16 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 3dkh s THR 248 CO 0.07 -0.20 1.44 -0.69 -0.69 0.00 0.00 174.62 174.55 3dkh s VAL 249 N 1.50 3.84 -0.49 3.82 1.01 -0.48 -0.25 120.40 129.36 3dkh s VAL 249 Ca 0.01 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.18 3dkh s VAL 249 Cb -0.19 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 3dkh s VAL 249 CO 0.05 -0.06 0.41 2.30 0.00 0.00 0.00 175.10 177.80 3dkh n ILE 250 N 5.12 0.00 -3.63 2.22 -5.35 -0.11 -2.37 119.36 115.24 3dkh n ILE 250 Ca 0.15 -0.32 -0.14 0.00 -0.27 0.00 0.00 62.75 62.17 3dkh n ILE 250 Cb 0.44 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.29 3dkh n ILE 250 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dkh s ALA 251 N -1.69 -1.79 -0.19 -1.28 0.00 -1.15 -1.73 121.76 113.92 3dkh s ALA 251 Ca 0.04 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.05 3dkh s ALA 251 Cb 0.07 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3dkh s ALA 251 CO 0.32 -0.34 -0.17 0.00 0.00 0.00 0.00 175.76 175.58 3dkh s ALA 252 N 0.42 2.42 0.00 0.00 0.00 -0.88 -1.70 121.76 122.03 3dkh s ALA 252 Ca -0.00 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3dkh s ALA 252 Cb -0.05 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3dkh s ALA 252 CO 0.00 -0.46 0.00 -0.25 0.00 0.00 0.00 175.76 175.06 3dkh n ASP 253 N 4.63 0.00 -1.35 0.00 8.00 -0.51 -1.59 116.55 125.73 3dkh n ASP 253 Ca -0.20 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.33 3dkh n ASP 253 Cb 0.49 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.88 3dkh n ASP 253 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3dkh n MET 254 N 14.00 3.26 -3.84 -1.24 2.81 -1.26 -4.38 117.12 126.48 3dkh n MET 254 Ca 0.00 -3.00 -0.36 0.00 -1.81 0.00 0.00 57.70 52.53 3dkh n MET 254 Cb 0.00 -2.00 -0.13 0.00 -0.71 0.00 0.00 33.22 30.38 3dkh n MET 254 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3dkh s VAL 255 N -2.92 3.31 0.10 2.03 1.01 -0.62 -4.62 120.40 118.69 3dkh s VAL 255 Ca 0.48 -1.33 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 3dkh s VAL 255 Cb 0.39 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.76 3dkh s VAL 255 CO 0.10 -0.17 1.67 -2.84 0.00 0.00 0.00 175.10 173.86 3dkh s PRO 256 N 1.30 4.19 0.38 2.72 0.02 -1.26 -2.06 135.00 140.29 3dkh s PRO 256 Ca -0.03 2.39 0.08 0.00 0.02 0.00 0.00 61.00 63.46 3dkh s PRO 256 Cb -0.20 -3.52 -0.04 0.00 0.02 0.00 0.00 34.50 30.76 3dkh s PRO 256 CO 0.00 -0.74 0.23 0.14 -0.33 0.00 0.00 177.00 176.31 3dkh s VAL 257 N 2.41 2.74 0.55 3.83 -7.23 -0.71 -1.08 120.40 120.92 3dkh s VAL 257 Ca 0.75 -1.57 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 3dkh s VAL 257 Cb -0.42 -3.01 -0.05 0.00 0.56 0.00 0.00 36.38 33.46 3dkh s VAL 257 CO 0.33 -0.07 1.12 0.20 -0.31 0.00 0.00 175.10 176.36 3dkh s ASN 258 N -3.96 5.73 -0.08 4.85 0.01 0.47 -4.52 114.94 117.45 3dkh s ASN 258 Ca 0.42 2.12 -0.36 0.00 -0.71 0.00 0.00 52.86 54.33 3dkh s ASN 258 Cb -0.01 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.94 3dkh s ASN 258 CO 0.24 -1.21 1.76 0.00 -1.51 0.00 0.00 177.10 176.38 3dkh n ALA 259 N -1.40 0.58 -3.63 0.60 0.00 -1.26 -4.74 120.51 110.66 3dkh n ALA 259 Ca 0.11 0.35 -0.29 0.00 0.00 0.00 0.00 53.44 53.61 3dkh n ALA 259 Cb 0.51 -2.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.43 3dkh n ALA 259 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3dkh s MET 260 N 3.16 0.42 -0.22 0.00 1.75 -1.00 -4.97 119.30 118.44 3dkh s MET 260 Ca 0.91 -0.74 -0.29 0.00 -1.25 0.00 0.00 55.69 54.32 3dkh s MET 260 Cb -0.79 -1.55 0.01 0.00 2.84 0.00 0.00 34.83 35.34 3dkh s MET 260 CO 0.52 -0.99 1.03 0.99 -0.65 0.00 0.00 175.02 175.92 3dkh s THR 261 N 1.89 4.70 0.19 10.11 2.01 -1.26 -1.38 115.64 131.90 3dkh s THR 261 Ca 0.09 2.01 0.04 0.00 0.31 0.00 0.00 61.69 64.14 3dkh s THR 261 Cb -0.17 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 3dkh s THR 261 CO -0.31 -0.16 -0.06 0.68 -0.69 0.00 0.00 174.62 174.09 3dkh s VAL 262 N 3.09 1.15 -0.07 3.82 -7.23 -0.32 -4.99 120.40 115.84 3dkh s VAL 262 Ca 0.44 -2.06 0.14 0.00 -1.81 0.00 0.00 61.98 58.69 3dkh s VAL 262 Cb -0.15 -2.10 -0.18 0.00 0.56 0.00 0.00 36.38 34.51 3dkh s VAL 262 CO 0.07 -0.53 0.80 0.44 -0.31 0.00 0.00 175.10 175.57 3dkh h ASP 263 N 2.62 0.00 -5.05 4.85 3.32 -1.89 -0.93 116.42 119.33 3dkh h ASP 263 Ca -0.37 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.58 3dkh h ASP 263 Cb 1.21 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.59 3dkh h ASP 263 CO 0.64 0.79 -0.25 -0.94 -1.72 0.00 0.00 179.24 177.76 3dkh s SER 264 N -6.00 -0.14 -0.02 6.45 1.04 -1.26 -4.44 113.70 109.33 3dkh s SER 264 Ca -0.03 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.28 3dkh s SER 264 Cb 0.08 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3dkh s SER 264 CO 0.82 -0.60 -0.15 -0.76 0.98 0.00 0.00 173.24 173.52 3dkh s LEU 265 N -1.99 1.96 -0.22 2.42 1.43 -0.41 -4.97 118.68 116.90 3dkh s LEU 265 Ca -0.06 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 3dkh s LEU 265 Cb -0.01 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 3dkh s LEU 265 CO -0.03 0.16 0.23 0.12 0.23 0.00 0.00 176.35 177.06 3dkh s PHE 266 N -0.17 3.36 -0.22 0.29 5.36 -1.26 -0.82 117.98 124.52 3dkh s PHE 266 Ca 0.02 0.37 -0.00 0.00 -0.96 0.00 0.00 56.93 56.36 3dkh s PHE 266 Cb -0.08 -2.33 0.03 0.00 -0.34 0.00 0.00 43.02 40.30 3dkh s PHE 266 CO 0.00 0.09 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.23 3dkh s LEU 267 N 0.97 2.82 0.60 6.12 1.02 0.10 -4.80 118.68 125.52 3dkh s LEU 267 Ca 0.11 -0.84 -0.07 0.00 0.02 0.00 0.00 54.13 53.36 3dkh s LEU 267 Cb -0.13 -1.58 0.00 0.00 0.02 0.00 0.00 46.19 44.50 3dkh s LEU 267 CO 0.04 -0.08 0.92 0.00 0.02 0.00 0.00 176.35 177.25 3dkh s ALA 268 N 1.29 3.25 -0.15 4.21 0.00 -1.26 -1.05 121.76 128.04 3dkh s ALA 268 Ca 0.01 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 3dkh s ALA 268 Cb -0.16 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 3dkh s ALA 268 CO -0.08 -0.81 2.09 0.28 0.00 0.00 0.00 175.76 177.25 3dkh n VAL 269 N -2.62 0.47 0.00 0.00 0.31 -1.26 -0.98 118.33 114.25 3dkh n VAL 269 Ca 0.05 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3dkh n VAL 269 Cb 0.57 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 3dkh n VAL 269 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dkh n GLY 270 N 5.31 1.94 3.78 2.92 0.00 -0.35 -4.80 105.19 113.98 3dkh n GLY 270 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 3dkh n GLY 270 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dkh s GLN 271 N -0.84 4.47 0.20 1.61 -0.21 -0.16 -4.79 119.66 119.95 3dkh s GLN 271 Ca 0.00 1.44 0.10 0.00 0.02 0.00 0.00 55.36 56.91 3dkh s GLN 271 Cb 0.00 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 3dkh s GLN 271 CO 0.00 0.15 -0.19 1.03 -2.12 0.00 0.00 175.29 174.16 3dkh s ARG 272 N -2.10 1.42 -0.20 2.91 3.00 -1.26 -1.60 118.95 121.11 3dkh s ARG 272 Ca 0.52 -1.54 -0.06 0.00 0.00 0.00 0.00 55.73 54.64 3dkh s ARG 272 Cb -0.21 -1.47 0.10 0.00 0.00 0.00 0.00 34.95 33.36 3dkh s ARG 272 CO 0.27 0.29 0.40 0.71 0.00 0.00 0.00 175.30 176.97 3dkh s TYR 273 N -2.27 -0.78 -0.31 -0.53 2.02 0.56 -1.42 117.35 114.62 3dkh s TYR 273 Ca 0.21 1.33 -0.18 0.00 -0.37 0.00 0.00 57.07 58.06 3dkh s TYR 273 Cb -0.05 0.22 -0.01 0.00 -0.40 0.00 0.00 41.96 41.71 3dkh s TYR 273 CO 0.09 -0.53 0.54 -0.51 -1.57 0.00 0.00 175.55 173.57 3dkh s ASP 274 N 2.58 6.39 0.16 2.29 1.01 -0.69 -0.80 116.67 127.62 3dkh s ASP 274 Ca 0.02 0.25 0.10 0.00 0.71 0.00 0.00 52.55 53.63 3dkh s ASP 274 Cb -0.13 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 3dkh s ASP 274 CO -0.13 -0.42 -0.21 0.68 0.21 0.00 0.00 175.17 175.30 3dkh s VAL 275 N 2.42 2.56 -0.25 -1.27 -7.23 0.71 -0.93 120.40 116.40 3dkh s VAL 275 Ca 0.21 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 3dkh s VAL 275 Cb -0.15 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 3dkh s VAL 275 CO 0.12 -0.03 0.01 -0.69 -0.31 0.00 0.00 175.10 174.20 3dkh s VAL 276 N -1.44 3.68 -0.24 1.32 1.01 0.65 0.24 120.40 125.63 3dkh s VAL 276 Ca 0.19 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3dkh s VAL 276 Cb -0.09 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.54 3dkh s VAL 276 CO 0.10 0.30 -0.05 -0.63 0.00 0.00 0.00 175.10 174.81 3dkh s ILE 277 N 1.50 3.02 -0.22 2.22 1.01 0.12 -1.38 121.20 127.47 3dkh s ILE 277 Ca 0.05 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.58 3dkh s ILE 277 Cb -0.15 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3dkh s ILE 277 CO -0.00 0.25 0.77 -1.81 0.00 0.00 0.00 174.94 174.15 3dkh s ASP 278 N 1.37 6.80 -1.58 3.58 1.11 -1.26 -0.88 116.67 125.81 3dkh s ASP 278 Ca 0.02 0.99 -0.11 0.00 0.18 0.00 0.00 52.55 53.63 3dkh s ASP 278 Cb -0.16 -2.41 -0.06 0.00 1.07 0.00 0.00 42.92 41.35 3dkh s ASP 278 CO -0.04 -0.43 2.80 0.00 1.18 0.00 0.00 175.17 178.67 3dkh n ALA 279 N 5.63 7.09 0.85 5.23 0.00 -1.08 -4.51 120.51 133.73 3dkh n ALA 279 Ca 0.03 -3.57 0.12 0.00 0.00 0.00 0.00 53.44 50.03 3dkh n ALA 279 Cb 0.48 -3.41 0.25 0.00 0.00 0.00 0.00 19.45 16.78 3dkh n ALA 279 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dkh n SER 280 N 4.13 0.53 -4.17 0.00 3.41 -1.26 -1.44 113.62 114.82 3dkh n SER 280 Ca 0.73 -0.07 -0.19 0.00 -0.26 0.00 0.00 58.87 59.08 3dkh n SER 280 Cb 0.26 0.17 0.09 0.00 -0.26 0.00 0.00 64.21 64.47 3dkh n SER 280 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dkh n ARG 281 N -1.71 0.12 -1.96 4.33 5.12 -1.26 -5.03 116.66 116.27 3dkh n ARG 281 Ca 0.05 -2.31 -0.41 0.00 -1.93 0.00 0.00 57.85 53.25 3dkh n ARG 281 Cb 0.37 -0.49 -0.01 0.00 -1.16 0.00 0.00 32.46 31.17 3dkh n ARG 281 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dkh s ALA 282 N -3.02 3.54 -0.56 7.54 0.00 -1.26 -4.90 121.76 123.10 3dkh s ALA 282 Ca 0.54 1.42 -0.26 0.00 0.00 0.00 0.00 51.96 53.66 3dkh s ALA 282 Cb -0.03 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 3dkh s ALA 282 CO 0.36 -0.85 2.44 -2.30 0.00 0.00 0.00 175.76 175.41 3dkh n PRO 283 N 0.67 0.92 -3.82 0.00 -0.02 -1.26 -4.84 135.00 126.65 3dkh n PRO 283 Ca 0.01 -0.08 -0.08 0.00 -2.02 0.00 0.00 63.50 61.32 3dkh n PRO 283 Cb 0.40 -3.33 0.02 0.00 -0.02 0.00 0.00 33.50 30.57 3dkh n PRO 283 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3dkh s ASP 284 N 11.86 -0.04 -0.19 2.55 2.15 -1.26 -4.80 116.67 126.95 3dkh s ASP 284 Ca 1.00 -1.03 -0.09 0.00 0.43 0.00 0.00 52.55 52.87 3dkh s ASP 284 Cb -0.25 0.80 -0.05 0.00 -0.30 0.00 0.00 42.92 43.13 3dkh s ASP 284 CO 0.26 -1.58 0.12 0.20 -0.17 0.00 0.00 175.17 174.00 3dkh s ASN 285 N -3.07 6.16 -0.01 -0.34 0.01 -1.26 -3.05 114.94 113.37 3dkh s ASN 285 Ca 0.15 0.25 0.06 0.00 -0.71 0.00 0.00 52.86 52.61 3dkh s ASN 285 Cb -0.05 -2.07 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 3dkh s ASN 285 CO 0.10 0.21 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.39 3dkh s TYR 286 N 0.15 1.88 0.26 2.20 2.02 -0.08 -4.51 117.35 119.26 3dkh s TYR 286 Ca 0.08 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.13 3dkh s TYR 286 Cb -0.11 -1.21 -0.09 0.00 -0.40 0.00 0.00 41.96 40.15 3dkh s TYR 286 CO -0.01 -0.03 1.05 -1.58 -1.57 0.00 0.00 175.55 173.41 3dkh s TRP 287 N -0.50 3.71 -0.34 2.71 0.23 -1.26 -1.19 118.94 122.29 3dkh s TRP 287 Ca 0.08 1.76 -0.07 0.00 -2.03 0.00 0.00 56.10 55.84 3dkh s TRP 287 Cb -0.08 -3.19 0.04 0.00 0.03 0.00 0.00 33.47 30.27 3dkh s TRP 287 CO -0.01 -0.23 0.12 0.12 0.96 0.00 0.00 176.95 177.91 3dkh s PHE 288 N -1.07 3.24 -0.09 -1.98 2.19 0.03 -1.47 117.98 118.84 3dkh s PHE 288 Ca 0.44 -1.33 -0.06 0.00 0.33 0.00 0.00 56.93 56.31 3dkh s PHE 288 Cb -0.30 -2.30 -0.04 0.00 -1.31 0.00 0.00 43.02 39.08 3dkh s PHE 288 CO 0.38 -0.71 0.13 -0.80 1.83 0.00 0.00 175.22 176.05 3dkh s ASN 289 N 1.43 6.25 -0.37 6.13 -0.87 0.17 -1.60 114.94 126.08 3dkh s ASN 289 Ca -0.01 0.41 -0.04 0.00 -1.57 0.00 0.00 52.86 51.64 3dkh s ASN 289 Cb -0.19 -1.98 0.08 0.00 -0.02 0.00 0.00 41.25 39.13 3dkh s ASN 289 CO 0.03 0.38 0.15 -0.69 -2.57 0.00 0.00 177.10 174.40 3dkh s VAL 290 N -1.07 3.46 0.49 1.60 1.01 -0.88 -1.65 120.40 123.36 3dkh s VAL 290 Ca 0.17 -1.64 0.06 0.00 0.00 0.00 0.00 61.98 60.58 3dkh s VAL 290 Cb -0.12 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.10 3dkh s VAL 290 CO 0.07 -0.44 0.38 0.42 0.00 0.00 0.00 175.10 175.52 3dkh s THR 291 N 1.26 2.03 -0.09 3.92 -4.23 -0.15 -4.18 115.64 114.20 3dkh s THR 291 Ca 0.03 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3dkh s THR 291 Cb -0.22 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.16 3dkh s THR 291 CO -0.01 0.00 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.65 3dkh s PHE 292 N -2.66 1.22 0.42 3.99 0.08 -1.26 -2.51 117.98 117.26 3dkh s PHE 292 Ca 0.40 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.91 3dkh s PHE 292 Cb -0.02 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.37 3dkh s PHE 292 CO 0.24 -0.41 0.01 0.41 -0.10 0.00 0.00 175.22 175.37 3dkh n GLY 293 N 4.78 3.64 1.73 4.36 0.00 -1.26 -4.78 105.19 113.65 3dkh n GLY 293 Ca -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.54 3dkh n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkh n GLY 294 N -0.05 0.83 3.39 -0.02 0.00 -1.26 -4.24 105.19 103.85 3dkh n GLY 294 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 3dkh n GLY 294 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dkh n GLN 295 N -2.00 -3.78 -1.38 1.61 1.13 -1.26 -3.05 117.38 108.65 3dkh n GLN 295 Ca 0.00 0.80 -0.13 0.00 -1.94 0.00 0.00 57.00 55.72 3dkh n GLN 295 Cb 0.00 -5.62 -0.06 0.00 0.11 0.00 0.00 30.24 24.68 3dkh n GLN 295 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dkh n ALA 296 N -3.71 -0.20 0.25 -1.58 0.00 -1.26 -4.81 120.51 109.20 3dkh n ALA 296 Ca -0.16 0.22 0.14 0.00 0.00 0.00 0.00 53.44 53.63 3dkh n ALA 296 Cb 0.64 -1.82 0.49 0.00 0.00 0.00 0.00 19.45 18.76 3dkh n ALA 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dkh h ALA 297 N 0.04 0.99 -0.28 0.00 0.00 -1.80 -3.25 119.26 114.97 3dkh h ALA 297 Ca -0.27 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 3dkh h ALA 297 Cb 1.20 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.64 3dkh h ALA 297 CO 0.40 0.07 -0.95 0.00 0.00 0.00 0.00 179.25 178.77 3dkh n GLY 299 N -0.34 1.81 3.68 0.00 0.00 -1.23 -1.56 105.19 107.55 3dkh n GLY 299 Ca 0.14 -2.15 0.02 0.00 0.00 0.00 0.00 46.02 44.03 3dkh n GLY 299 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dkh s GLY 300 N 0.00 -0.36 0.02 -0.02 0.00 -1.26 -4.33 107.32 101.36 3dkh s GLY 300 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3dkh s GLY 300 CO 0.00 0.93 -0.04 -0.45 0.00 0.00 0.00 173.10 173.54 3dkh s SER 301 N -3.10 0.34 0.26 1.64 0.15 -1.26 -1.64 113.70 110.08 3dkh s SER 301 Ca 0.16 -0.41 0.25 0.00 0.70 0.00 0.00 55.95 56.65 3dkh s SER 301 Cb 0.04 0.07 0.86 0.00 -1.71 0.00 0.00 66.02 65.28 3dkh s SER 301 CO -0.03 -0.22 1.75 -0.07 1.20 0.00 0.00 173.24 175.87 3dkh h LEU 302 N 4.91 0.00 -8.78 3.45 3.38 -0.43 -3.39 115.31 114.45 3dkh h LEU 302 Ca -0.31 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.05 3dkh h LEU 302 Cb 1.21 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 3dkh h LEU 302 CO 0.43 0.00 0.50 0.21 0.09 0.00 0.00 178.44 179.67 3dkh s ASN 303 N -4.62 6.58 0.36 -0.43 3.84 -1.25 -4.93 114.94 114.48 3dkh s ASN 303 Ca 0.08 0.37 0.15 0.00 0.21 0.00 0.00 52.86 53.66 3dkh s ASN 303 Cb 0.11 -2.43 0.67 0.00 -0.55 0.00 0.00 41.25 39.05 3dkh s ASN 303 CO 0.53 -0.85 1.77 1.55 -2.79 0.00 0.00 177.10 177.31 3dkh h PRO 304 N 8.62 0.00 -2.22 0.43 0.13 -1.96 -3.38 132.00 133.61 3dkh h PRO 304 Ca -0.24 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.31 3dkh h PRO 304 Cb 1.08 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.82 3dkh h PRO 304 CO 0.96 0.42 -0.94 0.72 -0.23 0.00 0.00 178.00 178.93 3dkh n HIS 305 N -3.87 0.49 -2.29 1.56 8.25 -1.26 -5.02 115.22 113.08 3dkh n HIS 305 Ca -0.01 -3.66 -0.42 0.00 -0.26 0.00 0.00 57.72 53.36 3dkh n HIS 305 Cb 0.47 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3dkh n HIS 305 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3dkh s PRO 306 N -1.10 4.27 0.14 -0.41 0.02 -1.26 -4.98 135.00 131.68 3dkh s PRO 306 Ca 0.34 1.87 -0.04 0.00 0.02 0.00 0.00 61.00 63.19 3dkh s PRO 306 Cb 0.11 -3.66 -0.03 0.00 0.02 0.00 0.00 34.50 30.94 3dkh s PRO 306 CO -0.12 -0.61 0.13 0.00 -0.33 0.00 0.00 177.00 176.07 3dkh s ALA 307 N 2.80 0.56 0.12 -1.55 0.00 -1.26 -2.07 121.76 120.36 3dkh s ALA 307 Ca 0.61 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 51.36 3dkh s ALA 307 Cb -0.28 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3dkh s ALA 307 CO 0.23 -0.54 -0.12 0.00 0.00 0.00 0.00 175.76 175.34 3dkh s ALA 308 N -4.02 1.38 -0.15 0.00 0.00 -0.63 -4.44 121.76 113.91 3dkh s ALA 308 Ca 0.21 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 3dkh s ALA 308 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3dkh s ALA 308 CO 0.01 0.01 0.01 0.42 0.00 0.00 0.00 175.76 176.21 3dkh s ILE 309 N -2.54 4.37 -0.32 0.00 1.01 0.87 -0.79 121.20 123.81 3dkh s ILE 309 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 3dkh s ILE 309 Cb -0.02 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.57 3dkh s ILE 309 CO 0.02 0.51 0.06 -0.36 0.00 0.00 0.00 174.94 175.17 3dkh s PHE 310 N 0.02 3.24 -0.17 3.97 0.40 -0.34 -1.62 117.98 123.48 3dkh s PHE 310 Ca 0.03 -1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 54.74 3dkh s PHE 310 Cb -0.13 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 3dkh s PHE 310 CO 0.02 -0.74 0.10 -1.58 0.70 0.00 0.00 175.22 173.71 3dkh s HIS 311 N 1.36 3.37 0.02 0.36 5.65 0.15 -0.90 115.29 125.29 3dkh s HIS 311 Ca -0.03 0.26 -0.24 0.00 0.25 0.00 0.00 55.06 55.31 3dkh s HIS 311 Cb -0.19 -2.06 -0.05 0.00 -1.18 0.00 0.00 32.58 29.09 3dkh s HIS 311 CO 0.01 0.34 0.71 0.71 -0.65 0.00 0.00 174.74 175.87 3dkh s TYR 312 N 0.01 3.70 0.15 3.88 1.51 -1.17 0.51 117.35 125.94 3dkh s TYR 312 Ca 0.08 1.38 -0.31 0.00 -1.01 0.00 0.00 57.07 57.20 3dkh s TYR 312 Cb -0.12 -2.77 -0.10 0.00 -0.11 0.00 0.00 41.96 38.87 3dkh s TYR 312 CO 0.00 0.27 1.58 0.00 -1.11 0.00 0.00 175.55 176.29 3dkh s ALA 313 N 0.03 3.77 0.00 3.71 0.00 0.24 -2.35 121.76 127.15 3dkh s ALA 313 Ca 0.37 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.68 3dkh s ALA 313 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3dkh s ALA 313 CO 0.21 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3dkh n GLY 314 N 3.78 2.23 3.87 0.00 0.00 -1.26 -4.71 105.19 109.10 3dkh n GLY 314 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3dkh n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkh s ALA 315 N -2.33 3.15 0.68 4.61 0.00 -0.99 -5.04 121.76 121.84 3dkh s ALA 315 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 3dkh s ALA 315 Cb 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3dkh s ALA 315 CO 0.00 -0.51 1.17 -1.25 0.00 0.00 0.00 175.76 175.17 3dkh s PRO 316 N -4.82 2.49 0.27 0.00 0.04 -1.26 -4.94 135.00 126.79 3dkh s PRO 316 Ca 0.54 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 3dkh s PRO 316 Cb -0.11 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.61 3dkh s PRO 316 CO 0.47 -1.54 0.37 0.41 0.04 0.00 0.00 177.00 176.75 3dkh n GLY 317 N 0.11 -0.59 0.52 0.56 0.00 -1.26 -4.72 105.19 99.80 3dkh n GLY 317 Ca 0.12 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3dkh n GLY 317 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkh n GLY 318 N 2.46 -2.47 3.77 -0.02 0.00 -1.26 -5.00 105.19 102.67 3dkh n GLY 318 Ca 0.05 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 3dkh n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dkh s LEU 319 N 0.00 4.41 0.41 0.99 1.43 -1.26 -4.94 118.68 119.71 3dkh s LEU 319 Ca 0.00 2.01 -0.26 0.00 -1.03 0.00 0.00 54.13 54.84 3dkh s LEU 319 Cb 0.00 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 3dkh s LEU 319 CO 0.00 -0.14 1.33 -2.84 0.23 0.00 0.00 176.35 174.94 3dkh s PRO 320 N -1.84 3.95 0.12 1.29 0.02 -1.26 -4.96 135.00 132.33 3dkh s PRO 320 Ca 0.49 2.23 0.20 0.00 0.02 0.00 0.00 61.00 63.93 3dkh s PRO 320 Cb -0.24 -2.77 -0.08 0.00 0.02 0.00 0.00 34.50 31.43 3dkh s PRO 320 CO 0.30 -0.53 0.92 0.25 -0.33 0.00 0.00 177.00 177.61 3dkh n THR 321 N 0.14 0.91 -3.06 0.99 -2.24 -1.26 -4.81 114.28 104.94 3dkh n THR 321 Ca 0.03 -0.62 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 3dkh n THR 321 Cb 0.43 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 3dkh n THR 321 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dkh s ASP 322 N -5.56 6.33 0.15 3.42 -1.08 -1.26 -4.93 116.67 113.74 3dkh s ASP 322 Ca -0.02 -0.37 0.20 0.00 -0.52 0.00 0.00 52.55 51.84 3dkh s ASP 322 Cb 0.09 -2.34 0.83 0.00 -1.46 0.00 0.00 42.92 40.04 3dkh s ASP 322 CO 0.80 -0.86 1.61 -0.62 0.52 0.00 0.00 175.17 176.62 3dkh n GLU 323 N 6.45 0.11 -0.40 4.34 1.02 -1.26 -4.63 120.64 126.27 3dkh n GLU 323 Ca -0.01 0.36 0.05 0.00 -0.02 0.00 0.00 57.16 57.54 3dkh n GLU 323 Cb 0.48 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 3dkh n GLU 323 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dkh n GLY 324 N -0.02 -1.68 3.63 0.62 0.00 -1.26 -4.92 105.19 101.56 3dkh n GLY 324 Ca 0.03 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3dkh n GLY 324 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dkh s THR 325 N -1.69 4.62 0.26 2.61 -4.23 -1.26 -5.08 115.64 110.88 3dkh s THR 325 Ca 0.00 -0.10 -0.31 0.00 -1.18 0.00 0.00 61.69 60.10 3dkh s THR 325 Cb 0.00 -3.05 -0.12 0.00 1.34 0.00 0.00 72.50 70.67 3dkh s THR 325 CO 0.00 0.49 1.58 -2.65 -0.54 0.00 0.00 174.62 173.50 3dkh n PRO 326 N 3.27 2.55 -1.26 3.99 -0.02 -1.26 -4.98 135.00 137.28 3dkh n PRO 326 Ca -0.17 0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 3dkh n PRO 326 Cb 0.53 -2.67 0.19 0.00 -0.02 0.00 0.00 33.50 31.53 3dkh n PRO 326 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dkh s PRO 327 N -0.18 -0.08 0.28 0.52 0.04 -1.26 -5.00 135.00 129.32 3dkh s PRO 327 Ca 0.67 0.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 3dkh s PRO 327 Cb -0.54 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 3dkh s PRO 327 CO 0.46 -3.00 1.28 0.08 0.04 0.00 0.00 177.00 175.86 3dkh s VAL 328 N -3.11 2.99 -0.39 -0.36 1.01 -1.26 -4.94 120.40 114.34 3dkh s VAL 328 Ca 0.68 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 3dkh s VAL 328 Cb -0.13 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 3dkh s VAL 328 CO 0.56 0.19 1.60 -0.62 0.00 0.00 0.00 175.10 176.83 3dkh s ASP 329 N -0.27 6.09 0.00 3.32 -1.08 -1.26 -4.86 116.67 118.60 3dkh s ASP 329 Ca 0.51 0.99 0.24 0.00 -0.52 0.00 0.00 52.55 53.77 3dkh s ASP 329 Cb -0.38 -2.53 1.15 0.00 -1.46 0.00 0.00 42.92 39.70 3dkh s ASP 329 CO 0.46 -1.60 1.78 1.41 0.52 0.00 0.00 175.17 177.74 3dkh n HIS 330 N 9.65 0.00 -3.92 -5.34 8.25 -1.26 -4.93 115.22 117.67 3dkh n HIS 330 Ca 0.19 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.37 3dkh n HIS 330 Cb 0.48 -0.35 0.01 0.00 1.12 0.00 0.00 29.99 31.25 3dkh n HIS 330 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3dkh n GLN 331 N -1.35 -4.50 -3.63 -0.41 1.13 -1.26 -2.60 117.38 104.77 3dkh n GLN 331 Ca 0.10 0.52 -0.27 0.00 -1.94 0.00 0.00 57.00 55.41 3dkh n GLN 331 Cb 0.21 -5.14 0.03 0.00 0.11 0.00 0.00 30.24 25.46 3dkh n GLN 331 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dkh s LEU 333 N -7.05 1.67 0.31 0.00 1.43 -1.07 -4.88 118.68 109.09 3dkh s LEU 333 Ca 0.55 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 3dkh s LEU 333 Cb -0.27 -0.41 -0.09 0.00 0.03 0.00 0.00 46.19 45.45 3dkh s LEU 333 CO 0.68 0.02 0.79 1.51 0.23 0.00 0.00 176.35 179.58 3dkh s ASP 334 N 0.37 6.96 0.18 2.29 -4.77 -1.26 -4.85 116.67 115.59 3dkh s ASP 334 Ca -0.05 1.45 -0.31 0.00 -3.30 0.00 0.00 52.55 50.35 3dkh s ASP 334 Cb -0.09 -2.44 -0.09 0.00 -1.09 0.00 0.00 42.92 39.21 3dkh s ASP 334 CO 0.00 -0.13 1.41 0.28 0.70 0.00 0.00 175.17 177.42 3dkh s THR 335 N -1.82 3.01 -0.22 2.11 -1.32 -1.26 -4.92 115.64 111.21 3dkh s THR 335 Ca 0.51 0.78 0.15 0.00 -1.21 0.00 0.00 61.69 61.92 3dkh s THR 335 Cb -0.13 -3.50 0.72 0.00 -1.51 0.00 0.00 72.50 68.08 3dkh s THR 335 CO 0.19 0.09 1.64 0.18 -2.21 0.00 0.00 174.62 174.51 3dkh n LEU 336 N 3.18 5.13 0.14 9.08 4.77 -1.26 -4.38 117.00 133.65 3dkh n LEU 336 Ca 0.09 -3.00 0.11 0.00 -0.03 0.00 0.00 56.01 53.19 3dkh n LEU 336 Cb 0.41 -0.64 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3dkh n LEU 336 CO 0.59 0.66 0.29 0.44 -1.33 0.00 0.00 177.39 178.05 3dkh h ASP 337 N 3.14 0.00 -2.59 -1.43 3.32 -2.02 -3.43 116.42 113.41 3dkh h ASP 337 Ca 0.02 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.54 3dkh h ASP 337 Cb 1.83 0.00 0.04 0.00 0.22 0.00 0.00 39.33 41.41 3dkh h ASP 337 CO 0.42 0.03 1.07 0.68 -1.72 0.00 0.00 179.24 179.72 3dkh s VAL 338 N -3.29 2.57 -0.24 -1.35 -7.23 -1.26 -5.00 120.40 104.61 3dkh s VAL 338 Ca 0.02 0.14 0.01 0.00 -1.81 0.00 0.00 61.98 60.34 3dkh s VAL 338 Cb 0.08 -3.09 0.04 0.00 0.56 0.00 0.00 36.38 33.97 3dkh s VAL 338 CO 0.75 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 175.30 3dkh s ARG 339 N 2.49 2.61 0.55 4.82 1.81 -1.26 -3.70 118.95 126.27 3dkh s ARG 339 Ca 0.79 -1.11 -0.20 0.00 -1.72 0.00 0.00 55.73 53.48 3dkh s ARG 339 Cb -0.45 -2.87 -0.06 0.00 -0.45 0.00 0.00 34.95 31.11 3dkh s ARG 339 CO 0.35 -0.44 0.99 -2.30 -0.68 0.00 0.00 175.30 173.22 3dkh n PRO 340 N 4.56 1.08 -0.05 3.54 -0.02 -1.26 -0.39 135.00 142.45 3dkh n PRO 340 Ca -0.16 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3dkh n PRO 340 Cb 0.45 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.71 3dkh n PRO 340 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dkh h VAL 341 N 0.83 1.31 -3.58 -1.45 2.07 -1.38 -3.40 116.25 110.67 3dkh h VAL 341 Ca -0.48 -1.10 -0.64 0.00 0.82 0.00 0.00 66.70 65.31 3dkh h VAL 341 Cb 1.35 1.76 -0.14 0.00 -1.52 0.00 0.00 31.29 32.74 3dkh h VAL 341 CO 0.53 0.32 0.17 -0.69 0.02 0.00 0.00 177.57 177.92 3dkh s VAL 342 N -4.57 4.84 0.61 2.57 1.01 -1.26 -4.99 120.40 118.61 3dkh s VAL 342 Ca -0.14 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 3dkh s VAL 342 Cb 0.05 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3dkh s VAL 342 CO 0.73 -0.44 1.03 -2.16 0.00 0.00 0.00 175.10 174.26 3dkh s PRO 343 N 2.82 3.60 0.02 2.72 0.04 -1.26 -5.10 135.00 137.83 3dkh s PRO 343 Ca 0.25 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3dkh s PRO 343 Cb -0.14 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 3dkh s PRO 343 CO 0.17 -0.57 -0.03 1.03 0.04 0.00 0.00 177.00 177.64 3dkh s ARG 344 N -4.99 0.28 -0.04 4.56 1.81 -1.26 -5.06 118.95 114.25 3dkh s ARG 344 Ca 0.56 -0.48 0.01 0.00 -1.72 0.00 0.00 55.73 54.10 3dkh s ARG 344 Cb -0.11 0.01 0.02 0.00 -0.45 0.00 0.00 34.95 34.41 3dkh s ARG 344 CO 0.51 -0.02 -0.06 -1.12 -0.68 0.00 0.00 175.30 173.93 3dkh s SER 345 N -1.10 0.94 -0.00 0.23 0.01 -1.26 -2.34 113.70 110.18 3dkh s SER 345 Ca -0.11 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.03 3dkh s SER 345 Cb -0.07 -0.38 -0.00 0.00 0.21 0.00 0.00 66.02 65.77 3dkh s SER 345 CO -0.01 -0.01 -0.05 0.68 0.41 0.00 0.00 173.24 174.26 3dkh s VAL 346 N 0.63 0.36 -0.25 3.43 -7.23 -0.84 -5.06 120.40 111.43 3dkh s VAL 346 Ca -0.09 -0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 59.55 3dkh s VAL 346 Cb -0.12 -0.31 -0.00 0.00 0.56 0.00 0.00 36.38 36.51 3dkh s VAL 346 CO 0.00 0.07 1.25 -2.84 -0.31 0.00 0.00 175.10 173.27 3dkh s PRO 347 N -0.19 4.07 0.04 4.82 0.02 -1.26 -4.41 135.00 138.09 3dkh s PRO 347 Ca 0.01 1.38 0.22 0.00 0.02 0.00 0.00 61.00 62.64 3dkh s PRO 347 Cb -0.02 -3.81 -0.22 0.00 0.02 0.00 0.00 34.50 30.47 3dkh s PRO 347 CO -0.00 -0.92 0.68 1.33 -0.33 0.00 0.00 177.00 177.76 3dkh n VAL 348 N 5.82 0.20 0.21 3.83 0.24 -1.26 -4.31 118.33 123.05 3dkh n VAL 348 Ca 0.14 -0.50 0.06 0.00 -2.04 0.00 0.00 64.34 62.00 3dkh n VAL 348 Cb 0.46 -0.08 0.45 0.00 -1.47 0.00 0.00 33.84 33.20 3dkh n VAL 348 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3dkh h ASN 349 N 0.00 0.00 0.66 -1.34 -1.07 -1.90 -3.08 115.58 108.85 3dkh h ASN 349 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3dkh h ASN 349 Cb 0.98 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.23 3dkh h ASN 349 CO 0.00 0.30 0.00 -1.54 0.07 0.00 0.00 177.43 176.26 3dkh n SER 350 N -3.84 0.00 -4.73 6.14 3.41 -1.26 -4.90 113.62 108.44 3dkh n SER 350 Ca -0.01 0.17 -0.42 0.00 -0.26 0.00 0.00 58.87 58.35 3dkh n SER 350 Cb 0.39 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3dkh n SER 350 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3dkh s PHE 351 N -2.76 3.16 -0.04 7.33 5.36 -1.17 -5.04 117.98 124.83 3dkh s PHE 351 Ca 0.19 1.07 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 3dkh s PHE 351 Cb 0.17 -3.71 0.02 0.00 -0.34 0.00 0.00 43.02 39.16 3dkh s PHE 351 CO 0.43 -2.34 -0.04 0.08 -1.46 0.00 0.00 175.22 171.88 3dkh s VAL 352 N 0.32 0.52 -0.32 3.12 1.01 -1.26 -5.10 120.40 118.69 3dkh s VAL 352 Ca 0.60 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 3dkh s VAL 352 Cb -0.39 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 3dkh s VAL 352 CO 0.38 0.22 1.45 -0.75 0.00 0.00 0.00 175.10 176.40 3dkh s LYS 353 N 0.86 3.72 0.10 2.72 2.20 -1.26 -5.01 119.74 123.08 3dkh s LYS 353 Ca -0.12 1.24 0.04 0.00 -0.36 0.00 0.00 55.97 56.77 3dkh s LYS 353 Cb -0.14 -3.99 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 3dkh s LYS 353 CO 0.00 -1.37 -0.10 1.03 -0.36 0.00 0.00 175.35 174.55 3dkh s ARG 354 N 4.66 0.88 0.30 4.03 0.52 -1.26 -5.07 118.95 123.01 3dkh s ARG 354 Ca 0.63 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 3dkh s ARG 354 Cb -0.18 -0.55 0.55 0.00 0.52 0.00 0.00 34.95 35.29 3dkh s ARG 354 CO 0.29 0.08 1.89 -1.35 0.02 0.00 0.00 175.30 176.22 3dkh h PRO 355 N 3.43 0.98 0.00 3.54 0.11 -1.95 -2.46 132.00 135.65 3dkh h PRO 355 Ca -0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dkh h PRO 355 Cb 1.19 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3dkh h PRO 355 CO 0.55 0.65 0.00 -0.40 -0.21 0.00 0.00 178.00 178.58 3dkh n ASP 356 N -4.52 0.00 0.00 -2.05 5.75 -1.26 -2.45 116.55 112.01 3dkh n ASP 356 Ca 0.15 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 3dkh n ASP 356 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 3dkh n ASP 356 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3dkh n ASN 357 N -0.87 0.76 -4.53 -1.12 0.23 -0.97 -5.05 115.26 103.71 3dkh n ASN 357 Ca 0.14 -1.12 -0.34 0.00 -0.53 0.00 0.00 54.58 52.73 3dkh n ASN 357 Cb 0.06 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.65 3dkh n ASN 357 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3dkh s THR 358 N -0.12 4.18 -0.47 5.53 2.01 -0.97 -0.72 115.64 125.07 3dkh s THR 358 Ca 0.00 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 61.79 3dkh s THR 358 Cb 0.00 -2.86 0.12 0.00 0.01 0.00 0.00 72.50 69.77 3dkh s THR 358 CO 0.00 0.47 0.21 -0.76 -0.69 0.00 0.00 174.62 173.85 3dkh s LEU 359 N 0.53 4.49 -0.17 4.42 1.43 0.95 -4.94 118.68 125.39 3dkh s LEU 359 Ca -0.01 -2.76 -0.28 0.00 -1.03 0.00 0.00 54.13 50.05 3dkh s LEU 359 Cb -0.14 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 3dkh s LEU 359 CO 0.02 -0.28 0.98 -2.84 0.23 0.00 0.00 176.35 174.45 3dkh s PRO 360 N 0.06 4.33 -0.30 1.29 0.02 -1.26 -1.94 135.00 137.20 3dkh s PRO 360 Ca 0.15 1.29 -0.19 0.00 0.02 0.00 0.00 61.00 62.27 3dkh s PRO 360 Cb -0.24 -3.59 -0.01 0.00 0.02 0.00 0.00 34.50 30.68 3dkh s PRO 360 CO -0.02 -0.44 0.57 0.08 -0.33 0.00 0.00 177.00 176.86 3dkh s VAL 361 N 2.50 5.00 0.06 3.83 1.01 0.28 -0.67 120.40 132.41 3dkh s VAL 361 Ca 0.44 0.76 0.06 0.00 0.00 0.00 0.00 61.98 63.24 3dkh s VAL 361 Cb -0.17 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3dkh s VAL 361 CO 0.12 -0.08 -0.17 0.00 0.00 0.00 0.00 175.10 174.97 3dkh s ALA 362 N 2.47 1.46 -0.29 5.51 0.00 0.13 -1.31 121.76 129.73 3dkh s ALA 362 Ca 0.23 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 3dkh s ALA 362 Cb -0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 3dkh s ALA 362 CO 0.11 0.28 0.10 -1.17 0.00 0.00 0.00 175.76 175.08 3dkh s LEU 363 N -1.48 3.86 -0.27 0.00 2.96 -1.26 0.11 118.68 122.59 3dkh s LEU 363 Ca 0.03 -0.58 -0.17 0.00 -0.22 0.00 0.00 54.13 53.19 3dkh s LEU 363 Cb -0.09 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3dkh s LEU 363 CO 0.02 -0.17 0.48 -0.62 -1.32 0.00 0.00 176.35 174.74 3dkh s ASP 364 N 1.55 6.37 -0.05 3.68 2.15 -0.25 -4.93 116.67 125.20 3dkh s ASP 364 Ca 0.04 0.39 0.12 0.00 0.43 0.00 0.00 52.55 53.53 3dkh s ASP 364 Cb -0.17 -2.26 0.36 0.00 -0.30 0.00 0.00 42.92 40.55 3dkh s ASP 364 CO 0.04 -0.29 1.30 0.18 -0.17 0.00 0.00 175.17 176.23 3dkh n LEU 365 N 5.52 3.18 0.06 -1.34 4.77 -1.26 -3.37 117.00 124.56 3dkh n LEU 365 Ca -0.05 -2.27 0.07 0.00 -0.03 0.00 0.00 56.01 53.73 3dkh n LEU 365 Cb 0.50 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3dkh n LEU 365 CO 0.40 0.71 -0.21 0.35 -1.33 0.00 0.00 177.39 177.32 3dkh n THR 366 N 0.24 0.78 -2.50 -5.08 -2.24 -1.26 -4.95 114.28 99.26 3dkh n THR 366 Ca 0.14 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3dkh n THR 366 Cb 0.55 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3dkh n THR 366 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dkh n GLY 367 N 1.28 2.22 3.17 3.38 0.00 -1.26 -5.10 105.19 108.88 3dkh n GLY 367 Ca -0.05 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 3dkh n GLY 367 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dkh s THR 368 N 1.47 2.49 0.92 2.61 -4.23 -1.26 -3.99 115.64 113.64 3dkh s THR 368 Ca 0.00 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.48 3dkh s THR 368 Cb 0.00 -2.12 0.22 0.00 1.34 0.00 0.00 72.50 71.94 3dkh s THR 368 CO 0.00 0.44 1.00 -0.81 -0.54 0.00 0.00 174.62 174.71 3dkh n PRO 369 N 4.66 -1.96 -0.06 3.99 -0.04 -1.26 -5.09 135.00 135.24 3dkh n PRO 369 Ca -0.19 -1.57 -0.13 0.00 -0.04 0.00 0.00 63.50 61.57 3dkh n PRO 369 Cb 0.49 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 3dkh n PRO 369 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3dkh h LEU 370 N 0.00 0.37 -8.06 1.53 5.85 -1.66 -3.40 115.31 109.95 3dkh h LEU 370 Ca -0.35 -0.45 -0.69 0.00 0.84 0.00 0.00 57.88 57.24 3dkh h LEU 370 Cb 1.01 -0.10 -0.18 0.00 0.37 0.00 0.00 40.66 41.75 3dkh h LEU 370 CO 0.24 0.74 0.56 -0.36 -0.34 0.00 0.00 178.44 179.28 3dkh s PHE 371 N -4.43 3.06 -0.18 1.25 0.08 0.10 -4.18 117.98 113.68 3dkh s PHE 371 Ca -0.14 -1.19 0.01 0.00 0.12 0.00 0.00 56.93 55.73 3dkh s PHE 371 Cb 0.05 -4.19 0.03 0.00 -0.57 0.00 0.00 43.02 38.35 3dkh s PHE 371 CO 0.75 -1.44 -0.12 0.08 -0.10 0.00 0.00 175.22 174.39 3dkh s VAL 372 N 2.74 1.63 -0.25 -0.44 1.01 -1.22 -4.77 120.40 119.11 3dkh s VAL 372 Ca 0.25 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 3dkh s VAL 372 Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3dkh s VAL 372 CO -0.02 0.30 0.36 0.26 0.00 0.00 0.00 175.10 176.00 3dkh s TRP 373 N 1.43 3.29 -0.08 5.22 0.52 -0.84 -1.09 118.94 127.40 3dkh s TRP 373 Ca 0.01 0.46 0.02 0.00 0.02 0.00 0.00 56.10 56.61 3dkh s TRP 373 Cb -0.15 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.62 3dkh s TRP 373 CO -0.09 -0.13 -0.14 0.15 0.02 0.00 0.00 176.95 176.76 3dkh s LYS 374 N 1.74 2.80 -0.24 4.98 1.02 0.12 -3.46 119.74 126.69 3dkh s LYS 374 Ca 0.15 -0.69 0.01 0.00 0.02 0.00 0.00 55.97 55.47 3dkh s LYS 374 Cb -0.15 -2.47 0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3dkh s LYS 374 CO 0.09 0.49 -0.11 0.08 -0.92 0.00 0.00 175.35 174.98 3dkh s VAL 375 N -0.39 2.37 -1.00 3.17 1.01 -0.63 0.22 120.40 125.15 3dkh s VAL 375 Ca 0.04 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.69 3dkh s VAL 375 Cb -0.12 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.02 3dkh s VAL 375 CO 0.02 0.17 0.56 -3.20 0.00 0.00 0.00 175.10 172.65 3dkh n ASN 376 N 4.55 -4.76 -0.20 3.32 5.15 0.15 -3.05 115.26 120.42 3dkh n ASN 376 Ca -0.16 -0.26 -0.03 0.00 -0.60 0.00 0.00 54.58 53.53 3dkh n ASN 376 Cb 0.45 -3.52 -0.01 0.00 -0.53 0.00 0.00 39.78 36.17 3dkh n ASN 376 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dkh n GLY 377 N -1.37 0.59 3.20 8.20 0.00 -1.26 -5.03 105.19 109.51 3dkh n GLY 377 Ca -0.04 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 3dkh n GLY 377 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dkh s SER 378 N -2.91 -0.30 -0.09 1.61 0.15 -1.17 -5.05 113.70 105.94 3dkh s SER 378 Ca 0.00 0.81 -0.24 0.00 0.70 0.00 0.00 55.95 57.22 3dkh s SER 378 Cb 0.00 0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 3dkh s SER 378 CO 0.00 -0.20 0.72 1.51 1.20 0.00 0.00 173.24 176.46 3dkh s ASP 379 N 1.77 6.96 0.37 5.45 -4.77 -1.26 -1.61 116.67 123.58 3dkh s ASP 379 Ca -0.06 1.16 -0.28 0.00 -3.30 0.00 0.00 52.55 50.07 3dkh s ASP 379 Cb -0.10 -2.41 -0.10 0.00 -1.09 0.00 0.00 42.92 39.22 3dkh s ASP 379 CO -0.11 -0.17 1.36 -0.51 0.70 0.00 0.00 175.17 176.44 3dkh s ILE 380 N 1.09 2.46 -0.40 2.11 2.07 -0.84 -4.80 121.20 122.90 3dkh s ILE 380 Ca 0.37 0.45 0.05 0.00 -1.41 0.00 0.00 60.65 60.10 3dkh s ILE 380 Cb -0.17 -3.28 0.17 0.00 0.13 0.00 0.00 42.46 39.30 3dkh s ILE 380 CO 0.17 0.09 0.47 0.21 -1.91 0.00 0.00 174.94 173.97 3dkh s ASN 381 N -0.47 0.33 0.53 4.50 3.84 -0.16 -4.49 114.94 119.04 3dkh s ASN 381 Ca 0.53 -1.59 -0.19 0.00 0.21 0.00 0.00 52.86 51.82 3dkh s ASN 381 Cb -0.41 0.91 -0.06 0.00 -0.55 0.00 0.00 41.25 41.13 3dkh s ASN 381 CO 0.55 -0.21 1.08 0.68 -2.79 0.00 0.00 177.10 176.41 3dkh s VAL 382 N 1.31 3.51 -0.41 -5.21 -7.23 -0.90 -4.37 120.40 107.11 3dkh s VAL 382 Ca 0.20 0.89 -0.15 0.00 -1.81 0.00 0.00 61.98 61.12 3dkh s VAL 382 Cb -0.10 -3.36 0.02 0.00 0.56 0.00 0.00 36.38 33.51 3dkh s VAL 382 CO -0.05 -0.25 0.29 -0.62 -0.31 0.00 0.00 175.10 174.16 3dkh s ASP 383 N -2.04 6.07 0.47 4.85 -1.08 -1.26 -4.78 116.67 118.90 3dkh s ASP 383 Ca 0.69 -0.90 0.17 0.00 -0.52 0.00 0.00 52.55 51.99 3dkh s ASP 383 Cb -0.19 -2.15 1.14 0.00 -1.46 0.00 0.00 42.92 40.26 3dkh s ASP 383 CO 0.26 -0.44 2.04 -0.50 0.52 0.00 0.00 175.17 177.05 3dkh h TRP 384 N 8.61 0.00 0.01 -5.34 6.55 -1.90 -2.71 115.95 121.17 3dkh h TRP 384 Ca -0.27 0.00 -0.24 0.00 0.95 0.00 0.00 58.89 59.33 3dkh h TRP 384 Cb 1.12 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.39 3dkh h TRP 384 CO 0.55 0.14 -1.23 0.78 -1.05 0.00 0.00 178.44 177.64 3dkh h GLY 385 N 0.48 0.03 -6.68 1.49 0.00 -1.96 -3.39 103.07 93.04 3dkh h GLY 385 Ca -0.00 -0.08 -0.59 0.00 0.00 0.00 0.00 47.33 46.66 3dkh h GLY 385 CO 0.02 0.07 -0.82 1.25 0.00 0.00 0.00 176.54 177.06 3dkh s LYS 386 N -2.67 0.75 1.02 4.80 2.20 -1.03 -4.96 119.74 119.85 3dkh s LYS 386 Ca -0.01 -1.52 -0.12 0.00 -0.36 0.00 0.00 55.97 53.95 3dkh s LYS 386 Cb 0.09 -1.57 0.20 0.00 -1.51 0.00 0.00 37.83 35.05 3dkh s LYS 386 CO 0.83 -1.20 1.08 -2.14 -0.36 0.00 0.00 175.35 173.55 3dkh s PRO 387 N 0.86 0.21 0.43 4.03 0.02 -1.16 -4.43 135.00 134.96 3dkh s PRO 387 Ca 0.18 0.65 0.16 0.00 0.02 0.00 0.00 61.00 62.02 3dkh s PRO 387 Cb -0.22 -1.70 0.95 0.00 0.02 0.00 0.00 34.50 33.55 3dkh s PRO 387 CO 0.00 -2.91 1.92 0.82 -0.33 0.00 0.00 177.00 176.50 3dkh h ILE 388 N -2.03 1.06 0.00 2.83 1.08 -1.45 -2.19 117.51 116.82 3dkh h ILE 388 Ca -0.55 -0.93 -0.06 0.00 -0.39 0.00 0.00 64.86 62.93 3dkh h ILE 388 Cb 1.32 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.58 3dkh h ILE 388 CO 0.55 0.26 -0.27 0.40 -0.69 0.00 0.00 178.15 178.39 3dkh h ILE 389 N 0.00 0.63 -0.15 -0.67 1.08 -1.75 -2.51 117.51 114.14 3dkh h ILE 389 Ca -0.00 -1.29 -0.14 0.00 -0.39 0.00 0.00 64.86 63.04 3dkh h ILE 389 Cb 0.50 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 3dkh h ILE 389 CO 0.03 0.27 -0.50 -0.78 -0.69 0.00 0.00 178.15 176.48 3dkh h ASP 390 N 0.00 0.44 -0.54 1.72 3.58 -1.69 -0.72 116.42 119.21 3dkh h ASP 390 Ca -0.00 -0.22 -0.09 0.00 0.42 0.00 0.00 57.03 57.14 3dkh h ASP 390 Cb 0.84 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 3dkh h ASP 390 CO 0.04 0.87 -0.02 1.88 -2.88 0.00 0.00 179.24 179.12 3dkh h TYR 391 N 0.32 1.05 -0.61 0.28 -1.99 -1.45 -1.81 116.97 112.76 3dkh h TYR 391 Ca 0.01 -0.19 -0.08 0.00 2.00 0.00 0.00 58.73 60.47 3dkh h TYR 391 Cb 0.99 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.43 3dkh h TYR 391 CO 0.03 0.97 0.07 0.82 -0.00 0.00 0.00 178.16 180.05 3dkh h ILE 392 N 0.84 1.26 0.00 -2.88 1.08 -1.14 0.25 117.51 116.92 3dkh h ILE 392 Ca 0.15 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3dkh h ILE 392 Cb 0.56 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 3dkh h ILE 392 CO 0.03 0.39 0.00 -0.07 -0.69 0.00 0.00 178.15 177.81 3dkh h LEU 393 N 0.93 0.00 -2.60 1.44 3.38 -0.93 -3.16 115.31 114.37 3dkh h LEU 393 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3dkh h LEU 393 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3dkh h LEU 393 CO 0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.90 3dkh n THR 394 N -2.75 0.81 -1.59 0.22 -2.24 -0.70 -4.97 114.28 103.05 3dkh n THR 394 Ca 0.03 -0.90 -0.14 0.00 -2.27 0.00 0.00 64.05 60.77 3dkh n THR 394 Cb 0.42 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.25 3dkh n THR 394 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dkh n GLY 395 N 0.70 1.11 3.61 3.38 0.00 -0.81 -4.98 105.19 108.20 3dkh n GLY 395 Ca 0.12 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3dkh n GLY 395 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dkh s ASN 396 N -2.75 6.49 0.00 1.61 3.84 0.83 -4.94 114.94 120.02 3dkh s ASN 396 Ca 0.00 0.53 0.19 0.00 0.21 0.00 0.00 52.86 53.78 3dkh s ASN 396 Cb 0.00 -2.31 -0.02 0.00 -0.55 0.00 0.00 41.25 38.37 3dkh s ASN 396 CO 0.00 -0.38 0.94 0.35 -2.79 0.00 0.00 177.10 175.22 3dkh n THR 397 N 5.26 0.00 -1.34 -5.21 -2.24 -1.26 -4.31 114.28 105.17 3dkh n THR 397 Ca -0.02 -0.29 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 3dkh n THR 397 Cb 0.49 1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 69.91 3dkh n THR 397 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3dkh n SER 398 N -0.15 6.41 -4.73 3.42 7.64 -1.26 -4.95 113.62 119.99 3dkh n SER 398 Ca 0.07 -2.62 -0.42 0.00 1.01 0.00 0.00 58.87 56.92 3dkh n SER 398 Cb 0.39 -1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.06 3dkh n SER 398 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3dkh s TYR 399 N 2.83 3.21 0.50 1.43 2.02 -1.26 -4.99 117.35 121.10 3dkh s TYR 399 Ca 0.58 1.04 -0.22 0.00 -0.37 0.00 0.00 57.07 58.10 3dkh s TYR 399 Cb 0.16 -3.68 -0.06 0.00 -0.40 0.00 0.00 41.96 37.97 3dkh s TYR 399 CO -0.05 -2.30 1.26 -2.14 -1.57 0.00 0.00 175.55 170.75 3dkh s PRO 400 N 0.50 3.46 0.39 -1.71 0.02 -1.26 -4.92 135.00 131.48 3dkh s PRO 400 Ca 0.61 1.99 0.14 0.00 0.02 0.00 0.00 61.00 63.76 3dkh s PRO 400 Cb -0.38 -2.34 0.97 0.00 0.02 0.00 0.00 34.50 32.78 3dkh s PRO 400 CO 0.35 -0.86 1.86 0.28 -0.33 0.00 0.00 177.00 178.31 3dkh h VAL 401 N 1.67 0.75 0.00 3.83 2.07 -1.99 -0.86 116.25 121.71 3dkh h VAL 401 Ca -0.50 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3dkh h VAL 401 Cb 1.27 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3dkh h VAL 401 CO 0.59 0.10 -0.06 0.28 0.02 0.00 0.00 177.57 178.49 3dkh h SER 402 N 0.52 0.00 0.82 0.57 0.02 -1.88 -2.73 113.55 110.87 3dkh h SER 402 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3dkh h SER 402 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3dkh h SER 402 CO -0.19 0.06 0.00 0.47 -1.14 0.00 0.00 176.83 176.03 3dkh n ASP 403 N -3.33 0.00 -4.03 3.07 8.00 -0.33 -0.98 116.55 118.95 3dkh n ASP 403 Ca -0.01 0.44 -0.27 0.00 0.71 0.00 0.00 54.79 55.66 3dkh n ASP 403 Cb 0.23 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 3dkh n ASP 403 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dkh n ASN 404 N -1.48 -0.51 -4.65 -2.24 4.13 -1.03 -4.18 115.26 105.29 3dkh n ASN 404 Ca 0.07 -1.04 -0.43 0.00 1.68 0.00 0.00 54.58 54.86 3dkh n ASN 404 Cb 0.28 -2.84 -0.02 0.00 -1.54 0.00 0.00 39.78 35.66 3dkh n ASN 404 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3dkh s ILE 405 N -3.93 4.11 -0.53 2.41 -1.09 -1.26 -1.07 121.20 119.84 3dkh s ILE 405 Ca 0.09 1.33 -0.03 0.00 -2.23 0.00 0.00 60.65 59.81 3dkh s ILE 405 Cb -0.05 -3.92 0.14 0.00 -1.58 0.00 0.00 42.46 37.04 3dkh s ILE 405 CO 0.91 -0.19 0.34 -0.69 -1.23 0.00 0.00 174.94 174.07 3dkh s VAL 406 N 3.85 3.54 -0.24 2.92 1.01 0.07 -4.96 120.40 126.60 3dkh s VAL 406 Ca 0.59 -2.54 -0.29 0.00 0.00 0.00 0.00 61.98 59.73 3dkh s VAL 406 Cb -0.23 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3dkh s VAL 406 CO 0.19 -0.80 1.26 -1.58 0.00 0.00 0.00 175.10 174.17 3dkh s GLN 407 N 0.49 4.08 -0.39 2.72 0.74 -1.26 -1.82 119.66 124.22 3dkh s GLN 407 Ca 0.13 1.42 -0.04 0.00 0.05 0.00 0.00 55.36 56.92 3dkh s GLN 407 Cb -0.22 -3.81 0.09 0.00 1.10 0.00 0.00 33.01 30.18 3dkh s GLN 407 CO -0.04 -0.90 0.17 0.08 -0.55 0.00 0.00 175.29 174.05 3dkh s VAL 408 N 3.90 3.40 -0.78 1.34 1.01 -0.93 -4.97 120.40 123.37 3dkh s VAL 408 Ca 0.54 -1.77 0.25 0.00 0.00 0.00 0.00 61.98 61.00 3dkh s VAL 408 Cb -0.18 -3.20 0.09 0.00 0.00 0.00 0.00 36.38 33.09 3dkh s VAL 408 CO 0.18 -0.52 1.47 0.47 0.00 0.00 0.00 175.10 176.70 3dkh n ASP 409 N 4.66 0.59 -4.69 3.32 8.00 -1.26 -0.84 116.55 126.33 3dkh n ASP 409 Ca -0.06 0.13 -0.44 0.00 0.71 0.00 0.00 54.79 55.12 3dkh n ASP 409 Cb 0.42 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 3dkh n ASP 409 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dkh n ALA 410 N -1.71 1.90 -2.54 2.24 0.00 -1.26 -4.78 120.51 114.35 3dkh n ALA 410 Ca 0.04 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 3dkh n ALA 410 Cb 0.40 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 3dkh n ALA 410 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dkh s VAL 411 N 0.89 5.22 -1.18 0.00 1.01 -1.26 -4.56 120.40 120.52 3dkh s VAL 411 Ca 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.71 3dkh s VAL 411 Cb -0.61 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3dkh s VAL 411 CO 0.37 -0.03 0.00 -0.67 0.00 0.00 0.00 175.10 174.77 3dkh n ASP 412 N 5.25 -4.06 -4.64 3.32 2.03 -0.83 -4.98 116.55 112.66 3dkh n ASP 412 Ca -0.11 0.19 -0.25 0.00 0.52 0.00 0.00 54.79 55.14 3dkh n ASP 412 Cb 0.50 -3.48 -0.08 0.00 -0.72 0.00 0.00 41.12 37.34 3dkh n ASP 412 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3dkh s GLN 413 N -4.76 2.29 0.17 -0.67 -1.52 -1.26 -4.71 119.66 109.18 3dkh s GLN 413 Ca 0.00 -1.26 -0.30 0.00 -1.95 0.00 0.00 55.36 51.85 3dkh s GLN 413 Cb 0.00 -2.24 -0.07 0.00 -0.22 0.00 0.00 33.01 30.48 3dkh s GLN 413 CO 0.00 0.42 1.02 -1.58 -0.25 0.00 0.00 175.29 174.90 3dkh s TRP 414 N -1.95 3.74 -0.11 0.91 0.52 -1.26 -1.65 118.94 119.14 3dkh s TRP 414 Ca 0.28 1.73 0.02 0.00 0.02 0.00 0.00 56.10 58.16 3dkh s TRP 414 Cb -0.08 -3.15 0.01 0.00 -1.15 0.00 0.00 33.47 29.10 3dkh s TRP 414 CO 0.18 -0.13 -0.19 0.95 0.02 0.00 0.00 176.95 177.79 3dkh s THR 415 N -0.32 1.73 -0.16 2.01 -4.23 -0.77 -4.98 115.64 108.91 3dkh s THR 415 Ca 0.47 -0.80 -0.15 0.00 -1.18 0.00 0.00 61.69 60.03 3dkh s THR 415 Cb -0.27 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 3dkh s THR 415 CO 0.33 0.49 0.35 -0.31 -0.54 0.00 0.00 174.62 174.94 3dkh s TYR 416 N 0.79 3.45 -0.13 3.99 1.51 -1.26 -2.81 117.35 122.90 3dkh s TYR 416 Ca -0.10 0.66 0.01 0.00 -1.01 0.00 0.00 57.07 56.63 3dkh s TYR 416 Cb -0.16 -2.42 0.02 0.00 -0.11 0.00 0.00 41.96 39.29 3dkh s TYR 416 CO 0.01 0.17 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.89 3dkh s TRP 417 N 0.68 2.03 -0.37 2.71 0.52 0.48 -4.76 118.94 120.23 3dkh s TRP 417 Ca 0.19 -1.04 -0.12 0.00 0.02 0.00 0.00 56.10 55.15 3dkh s TRP 417 Cb -0.14 -1.49 0.02 0.00 -1.15 0.00 0.00 33.47 30.71 3dkh s TRP 417 CO 0.06 -0.56 0.23 -1.17 0.02 0.00 0.00 176.95 175.53 3dkh s LEU 418 N 1.24 4.71 -0.30 2.99 2.96 0.10 -0.68 118.68 129.70 3dkh s LEU 418 Ca -0.01 -0.83 -0.10 0.00 -0.22 0.00 0.00 54.13 52.97 3dkh s LEU 418 Cb -0.14 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3dkh s LEU 418 CO -0.06 -0.36 0.16 -0.63 -1.32 0.00 0.00 176.35 174.14 3dkh s ILE 419 N 1.62 4.74 -0.19 6.68 1.09 -0.07 -0.04 121.20 135.03 3dkh s ILE 419 Ca 0.04 -0.28 -0.11 0.00 -1.10 0.00 0.00 60.65 59.20 3dkh s ILE 419 Cb -0.19 -3.37 -0.05 0.00 -1.06 0.00 0.00 42.46 37.80 3dkh s ILE 419 CO 0.08 0.12 0.18 -1.61 -0.10 0.00 0.00 174.94 173.62 3dkh s GLU 420 N 1.65 4.21 -1.19 2.79 2.02 -0.82 -1.00 118.70 126.36 3dkh s GLU 420 Ca 0.05 -0.12 -0.07 0.00 0.02 0.00 0.00 54.97 54.85 3dkh s GLU 420 Cb -0.17 -3.43 0.23 0.00 0.10 0.00 0.00 34.13 30.86 3dkh s GLU 420 CO 0.07 0.27 1.68 -1.71 0.02 0.00 0.00 175.26 175.59 3dkh n ASN 421 N 3.57 5.65 -3.78 -0.19 2.85 0.16 -0.55 115.26 122.96 3dkh n ASN 421 Ca -0.15 -3.23 -0.29 0.00 -0.11 0.00 0.00 54.58 50.80 3dkh n ASN 421 Cb 0.52 -1.40 0.01 0.00 1.24 0.00 0.00 39.78 40.16 3dkh n ASN 421 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3dkh n ASP 422 N 2.87 -5.03 -0.05 1.20 -0.08 -0.43 -3.26 116.55 111.77 3dkh n ASP 422 Ca 0.34 -0.98 -0.03 0.00 -1.51 0.00 0.00 54.79 52.61 3dkh n ASP 422 Cb 0.35 -2.29 0.21 0.00 2.34 0.00 0.00 41.12 41.73 3dkh n ASP 422 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3dkh h PRO 423 N -1.09 0.64 -0.02 -0.67 0.11 -1.87 -3.04 132.00 126.06 3dkh h PRO 423 Ca -0.60 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.34 3dkh h PRO 423 Cb 1.36 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3dkh h PRO 423 CO 0.42 0.70 -0.12 0.39 -0.21 0.00 0.00 178.00 179.17 3dkh n GLU 424 N -4.22 1.66 -1.40 1.05 -0.58 -1.26 -4.91 120.64 110.98 3dkh n GLU 424 Ca 0.02 -1.19 -0.29 0.00 -0.42 0.00 0.00 57.16 55.28 3dkh n GLU 424 Cb 0.30 -1.48 0.15 0.00 -0.57 0.00 0.00 31.44 29.85 3dkh n GLU 424 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3dkh s GLY 425 N -2.17 1.57 0.12 0.62 0.00 -1.15 -4.99 107.32 101.32 3dkh s GLY 425 Ca 0.29 -0.47 -0.22 0.00 0.00 0.00 0.00 44.72 44.32 3dkh s GLY 425 CO 0.40 0.11 1.70 -2.55 0.00 0.00 0.00 173.10 172.76 3dkh h PRO 426 N -1.65 -0.07 -3.61 2.90 0.11 -1.93 -3.45 132.00 124.30 3dkh h PRO 426 Ca -0.52 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 3dkh h PRO 426 Cb 1.33 0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.34 3dkh h PRO 426 CO 0.60 -0.05 -0.15 -0.59 -0.21 0.00 0.00 178.00 177.60 3dkh s PHE 427 N -6.18 0.16 0.02 0.65 -0.71 -1.26 -5.16 117.98 105.50 3dkh s PHE 427 Ca -0.14 -0.52 0.03 0.00 -1.04 0.00 0.00 56.93 55.26 3dkh s PHE 427 Cb 0.09 0.16 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 3dkh s PHE 427 CO 0.67 -0.82 -0.09 0.45 -1.34 0.00 0.00 175.22 174.10 3dkh s SER 428 N -2.93 0.98 0.07 1.98 0.15 -1.26 -4.99 113.70 107.70 3dkh s SER 428 Ca 0.14 -0.36 0.09 0.00 0.70 0.00 0.00 55.95 56.52 3dkh s SER 428 Cb 0.01 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 3dkh s SER 428 CO -0.01 -0.04 -0.25 -0.76 1.20 0.00 0.00 173.24 173.38 3dkh s LEU 429 N -0.92 2.30 0.37 3.45 1.43 -1.26 -4.66 118.68 119.38 3dkh s LEU 429 Ca -0.03 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.20 3dkh s LEU 429 Cb -0.07 -1.31 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 3dkh s LEU 429 CO 0.00 0.23 1.14 -2.84 0.23 0.00 0.00 176.35 175.11 3dkh s PRO 430 N -1.56 4.22 -0.07 1.29 0.02 -1.26 -4.41 135.00 133.23 3dkh s PRO 430 Ca 0.13 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.97 3dkh s PRO 430 Cb -0.10 -2.79 0.01 0.00 0.02 0.00 0.00 34.50 31.64 3dkh s PRO 430 CO 0.04 -0.16 -0.14 -1.01 -0.33 0.00 0.00 177.00 175.40 3dkh s HIS 431 N -1.39 1.67 -1.09 6.54 3.76 -0.29 -4.94 115.29 119.54 3dkh s HIS 431 Ca 0.54 -0.63 -0.21 0.00 -0.15 0.00 0.00 55.06 54.61 3dkh s HIS 431 Cb -0.30 -1.19 0.06 0.00 1.11 0.00 0.00 32.58 32.27 3dkh s HIS 431 CO 0.38 -0.30 1.50 -1.25 -0.85 0.00 0.00 174.74 174.22 3dkh s PRO 432 N 0.59 3.71 0.01 8.40 0.04 -1.26 0.25 135.00 146.74 3dkh s PRO 432 Ca -0.15 -1.45 -0.30 0.00 0.04 0.00 0.00 61.00 59.14 3dkh s PRO 432 Cb -0.16 -5.37 -0.06 0.00 0.04 0.00 0.00 34.50 28.95 3dkh s PRO 432 CO 0.05 -2.18 1.39 -1.64 0.04 0.00 0.00 177.00 174.66 3dkh s MET 433 N 4.51 4.29 -0.01 4.56 -1.94 0.53 -0.76 119.30 130.48 3dkh s MET 433 Ca 0.47 1.96 0.05 0.00 -1.71 0.00 0.00 55.69 56.46 3dkh s MET 433 Cb 0.01 -3.55 -0.01 0.00 2.01 0.00 0.00 34.83 33.28 3dkh s MET 433 CO -0.05 -0.56 -0.16 -1.58 -0.01 0.00 0.00 175.02 172.67 3dkh s HIS 434 N 2.30 1.39 -0.06 -0.03 5.04 0.77 -1.34 115.29 123.36 3dkh s HIS 434 Ca 0.64 -0.27 0.05 0.00 -1.54 0.00 0.00 55.06 53.93 3dkh s HIS 434 Cb -0.32 -0.88 -0.02 0.00 0.04 0.00 0.00 32.58 31.40 3dkh s HIS 434 CO 0.27 -0.01 -0.21 -1.17 -2.34 0.00 0.00 174.74 171.27 3dkh s LEU 435 N -0.46 2.29 0.24 8.88 2.96 -0.85 -0.80 118.68 130.93 3dkh s LEU 435 Ca 0.06 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.41 3dkh s LEU 435 Cb -0.06 -1.44 -0.08 0.00 0.50 0.00 0.00 46.19 45.11 3dkh s LEU 435 CO -0.00 0.27 0.64 -1.00 -1.32 0.00 0.00 176.35 174.93 3dkh s HIS 436 N -0.28 3.50 0.00 5.38 3.76 -0.34 -4.33 115.29 122.98 3dkh s HIS 436 Ca 0.01 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 3dkh s HIS 436 Cb -0.13 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.12 3dkh s HIS 436 CO 0.03 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 3dkh n GLY 437 N 0.19 0.82 3.28 -2.22 0.00 -1.26 -4.72 105.19 101.28 3dkh n GLY 437 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3dkh n GLY 437 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dkh s HIS 438 N -2.30 0.15 -0.21 1.61 3.76 -1.26 -4.75 115.29 112.29 3dkh s HIS 438 Ca 0.00 -0.53 -0.04 0.00 -0.15 0.00 0.00 55.06 54.34 3dkh s HIS 438 Cb 0.00 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.70 3dkh s HIS 438 CO 0.00 -0.64 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.70 3dkh s ASP 439 N -2.88 4.45 0.43 1.40 1.01 -1.26 -4.59 116.67 115.22 3dkh s ASP 439 Ca 0.08 -0.32 0.03 0.00 0.71 0.00 0.00 52.55 53.05 3dkh s ASP 439 Cb 0.04 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.21 3dkh s ASP 439 CO -0.08 0.02 0.62 0.72 0.21 0.00 0.00 175.17 176.67 3dkh s PHE 440 N 1.23 3.09 -0.26 4.23 -0.12 -0.08 -4.77 117.98 121.29 3dkh s PHE 440 Ca 0.03 -0.01 -0.09 0.00 -0.05 0.00 0.00 56.93 56.81 3dkh s PHE 440 Cb -0.14 -2.30 -0.04 0.00 -0.63 0.00 0.00 43.02 39.90 3dkh s PHE 440 CO -0.01 -0.35 0.13 -0.51 -0.05 0.00 0.00 175.22 174.44 3dkh s LEU 441 N -4.46 3.79 -0.89 -1.99 1.43 0.12 -1.57 118.68 115.12 3dkh s LEU 441 Ca 0.49 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.31 3dkh s LEU 441 Cb -0.10 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.18 3dkh s LEU 441 CO 0.35 -0.02 1.20 -0.69 0.23 0.00 0.00 176.35 177.42 3dkh s VAL 442 N 1.57 4.35 0.18 -1.59 1.01 -0.16 -1.85 120.40 123.91 3dkh s VAL 442 Ca 0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 3dkh s VAL 442 Cb -0.15 -4.85 -0.08 0.00 0.00 0.00 0.00 36.38 31.29 3dkh s VAL 442 CO 0.07 -1.65 1.47 -0.07 0.00 0.00 0.00 175.10 174.92 3dkh h LEU 443 N 11.45 0.58 -7.01 3.92 3.38 -1.56 -3.37 115.31 122.71 3dkh h LEU 443 Ca 0.06 -0.34 0.39 0.00 0.09 0.00 0.00 57.88 58.08 3dkh h LEU 443 Cb 1.03 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 3dkh h LEU 443 CO 1.23 1.07 0.99 -0.83 0.09 0.00 0.00 178.44 180.99 3dkh s GLY 444 N -4.20 -0.48 0.19 0.83 0.00 -1.17 -2.00 107.32 100.48 3dkh s GLY 444 Ca -0.07 1.05 -0.13 0.00 0.00 0.00 0.00 44.72 45.57 3dkh s GLY 444 CO 0.84 0.21 0.41 1.09 0.00 0.00 0.00 173.10 175.66 3dkh s ARG 445 N -2.01 1.31 0.64 2.90 1.70 -1.26 -0.04 118.95 122.18 3dkh s ARG 445 Ca 0.15 -1.06 -0.18 0.00 -0.47 0.00 0.00 55.73 54.17 3dkh s ARG 445 Cb 0.07 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.89 3dkh s ARG 445 CO -0.07 -0.52 1.26 -1.54 -1.08 0.00 0.00 175.30 173.35 3dkh s SER 446 N -2.94 4.73 0.06 -2.89 1.04 -0.59 -4.88 113.70 108.24 3dkh s SER 446 Ca 0.15 2.52 -0.37 0.00 0.48 0.00 0.00 55.95 58.72 3dkh s SER 446 Cb 0.01 -2.61 -0.18 0.00 0.10 0.00 0.00 66.02 63.34 3dkh s SER 446 CO 0.00 -1.91 1.22 -2.65 0.98 0.00 0.00 173.24 170.88 3dkh n PRO 447 N -1.90 0.73 -1.59 4.02 -0.02 -1.26 -4.83 135.00 130.15 3dkh n PRO 447 Ca 0.15 0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 61.50 3dkh n PRO 447 Cb 0.49 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 3dkh n PRO 447 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dkh s ASP 448 N 0.26 4.92 0.27 2.55 1.01 -1.26 -4.94 116.67 119.48 3dkh s ASP 448 Ca 0.86 1.44 0.04 0.00 0.71 0.00 0.00 52.55 55.60 3dkh s ASP 448 Cb -1.06 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 40.31 3dkh s ASP 448 CO 0.51 -2.45 0.00 0.68 0.21 0.00 0.00 175.17 174.12 3dkh s VAL 449 N 10.34 1.22 0.32 -1.27 -7.23 -1.26 -5.12 120.40 117.41 3dkh s VAL 449 Ca 0.98 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 3dkh s VAL 449 Cb -0.24 -2.51 -0.11 0.00 0.56 0.00 0.00 36.38 34.08 3dkh s VAL 449 CO 0.30 -0.22 1.49 -2.84 -0.31 0.00 0.00 175.10 173.53 3dkh s PRO 450 N -3.84 4.17 0.40 4.82 0.02 -1.26 -4.92 135.00 134.39 3dkh s PRO 450 Ca 0.31 2.48 0.10 0.00 0.02 0.00 0.00 61.00 63.92 3dkh s PRO 450 Cb 0.06 -3.02 0.89 0.00 0.02 0.00 0.00 34.50 32.45 3dkh s PRO 450 CO 0.12 -0.50 1.98 0.00 -0.33 0.00 0.00 177.00 178.26 3dkh h ALA 451 N 4.01 1.85 -0.61 -1.55 0.00 -1.77 -2.21 119.26 118.98 3dkh h ALA 451 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dkh h ALA 451 Cb 1.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dkh h ALA 451 CO 0.72 0.03 0.00 0.00 0.00 0.00 0.00 179.25 180.00 3dkh n ALA 452 N -2.48 2.41 0.21 0.00 0.00 -1.24 -4.32 120.51 115.08 3dkh n ALA 452 Ca 0.09 -1.07 0.06 0.00 0.00 0.00 0.00 53.44 52.52 3dkh n ALA 452 Cb 0.28 -0.95 0.45 0.00 0.00 0.00 0.00 19.45 19.23 3dkh n ALA 452 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3dkh h SER 453 N 3.57 0.00 -2.82 0.00 0.02 -1.76 -3.47 113.55 109.09 3dkh h SER 453 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 3dkh h SER 453 Cb 0.82 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3dkh h SER 453 CO 0.00 0.30 -0.51 0.00 -1.14 0.00 0.00 176.83 175.48 3dkh n GLN 454 N -3.80 -1.58 -2.87 3.45 1.13 -1.26 -4.98 117.38 107.47 3dkh n GLN 454 Ca -0.01 0.96 -0.41 0.00 -1.94 0.00 0.00 57.00 55.60 3dkh n GLN 454 Cb 0.39 -5.56 -0.04 0.00 0.11 0.00 0.00 30.24 25.14 3dkh n GLN 454 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3dkh s GLN 455 N -4.99 4.50 0.01 -1.09 -0.21 -1.26 -5.02 119.66 111.61 3dkh s GLN 455 Ca 0.00 1.17 -0.01 0.00 0.02 0.00 0.00 55.36 56.54 3dkh s GLN 455 Cb -0.00 -3.45 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 3dkh s GLN 455 CO 0.00 0.01 0.13 1.03 -2.12 0.00 0.00 175.29 174.34 3dkh s ARG 456 N 0.89 3.20 -0.07 2.91 1.81 -1.26 -4.43 118.95 122.00 3dkh s ARG 456 Ca 0.45 -0.46 -0.03 0.00 -1.72 0.00 0.00 55.73 53.97 3dkh s ARG 456 Cb -0.20 -2.93 0.04 0.00 -0.45 0.00 0.00 34.95 31.41 3dkh s ARG 456 CO 0.23 0.64 0.15 -0.06 -0.68 0.00 0.00 175.30 175.58 3dkh s PHE 457 N -1.30 -0.17 0.10 -0.53 0.08 -0.70 -4.97 117.98 110.48 3dkh s PHE 457 Ca 0.27 0.48 0.08 0.00 0.12 0.00 0.00 56.93 57.88 3dkh s PHE 457 Cb -0.12 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 3dkh s PHE 457 CO 0.18 -0.16 -0.18 0.08 -0.10 0.00 0.00 175.22 175.05 3dkh s VAL 458 N 1.02 2.86 -0.16 -0.44 1.01 -1.26 -4.26 120.40 119.17 3dkh s VAL 458 Ca -0.08 -1.41 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 3dkh s VAL 458 Cb -0.10 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3dkh s VAL 458 CO -0.05 0.16 1.89 0.12 0.00 0.00 0.00 175.10 177.22 3dkh s PHE 459 N -1.09 1.61 -0.29 5.22 5.36 -1.26 -4.97 117.98 122.57 3dkh s PHE 459 Ca 0.17 0.30 0.02 0.00 -0.96 0.00 0.00 56.93 56.46 3dkh s PHE 459 Cb -0.11 -4.04 0.07 0.00 -0.34 0.00 0.00 43.02 38.60 3dkh s PHE 459 CO 0.09 -3.92 -0.05 0.34 -1.46 0.00 0.00 175.22 170.22 3dkh s ASP 460 N 5.58 4.63 0.62 6.13 2.15 -1.26 -5.00 116.67 129.53 3dkh s ASP 460 Ca 0.85 -1.53 0.38 0.00 0.43 0.00 0.00 52.55 52.67 3dkh s ASP 460 Cb -0.31 -1.61 2.04 0.00 -0.30 0.00 0.00 42.92 42.74 3dkh s ASP 460 CO 0.34 -0.25 2.15 1.55 -0.17 0.00 0.00 175.17 178.79 3dkh h PRO 461 N 7.80 0.00 0.00 4.34 0.13 -1.94 0.11 132.00 142.44 3dkh h PRO 461 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3dkh h PRO 461 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3dkh h PRO 461 CO 0.50 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 3dkh h ALA 462 N 1.79 1.00 0.00 -0.56 0.00 -2.01 -3.21 119.26 116.26 3dkh h ALA 462 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dkh h ALA 462 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dkh h ALA 462 CO 0.00 0.00 -0.51 1.33 0.00 0.00 0.00 179.25 180.07 3dkh n VAL 463 N -3.05 0.00 0.25 0.00 0.24 -0.88 -4.92 118.33 109.96 3dkh n VAL 463 Ca 0.01 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.43 3dkh n VAL 463 Cb 0.32 -0.50 0.08 0.00 -1.47 0.00 0.00 33.84 32.26 3dkh n VAL 463 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3dkh h ASP 464 N 0.00 0.00 0.75 -1.34 3.32 -1.12 -3.36 116.42 114.68 3dkh h ASP 464 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3dkh h ASP 464 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3dkh h ASP 464 CO 0.00 0.03 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.33 3dkh h LEU 465 N 0.00 0.00 0.00 1.55 3.38 -1.75 -1.97 115.31 116.52 3dkh h LEU 465 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkh h LEU 465 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3dkh h LEU 465 CO 0.00 0.14 -0.51 0.00 0.09 0.00 0.00 178.44 178.16 3dkh h ALA 466 N 1.86 0.72 -0.00 1.53 0.00 -1.84 -3.27 119.26 118.24 3dkh h ALA 466 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dkh h ALA 466 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dkh h ALA 466 CO 0.02 0.00 -0.10 0.54 0.00 0.00 0.00 179.25 179.70 3dkh n ARG 467 N -2.59 0.79 -2.98 0.00 1.74 -0.74 -4.89 116.66 107.99 3dkh n ARG 467 Ca 0.03 -0.29 -0.28 0.00 -0.77 0.00 0.00 57.85 56.53 3dkh n ARG 467 Cb 0.50 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 3dkh n ARG 467 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dkh s LEU 468 N -2.41 3.85 -0.15 0.55 1.43 -1.21 -4.84 118.68 115.90 3dkh s LEU 468 Ca 0.30 0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 54.25 3dkh s LEU 468 Cb 0.20 -3.75 0.05 0.00 0.03 0.00 0.00 46.19 42.72 3dkh s LEU 468 CO 0.46 -0.39 0.03 0.21 0.23 0.00 0.00 176.35 176.89 3dkh s ASN 469 N -3.59 2.43 0.00 2.29 2.47 -0.85 -4.99 114.94 112.70 3dkh s ASN 469 Ca 0.47 -0.56 0.21 0.00 0.42 0.00 0.00 52.86 53.39 3dkh s ASN 469 Cb -0.10 -0.52 0.05 0.00 -1.45 0.00 0.00 41.25 39.22 3dkh s ASN 469 CO 0.36 -0.27 1.07 0.61 -3.72 0.00 0.00 177.10 175.15 3dkh n GLY 470 N 5.10 0.26 3.39 1.21 0.00 -1.26 -4.48 105.19 109.41 3dkh n GLY 470 Ca -0.08 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.89 3dkh n GLY 470 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dkh s ASP 471 N -2.13 6.18 -1.15 1.61 2.15 -1.26 -2.00 116.67 120.07 3dkh s ASP 471 Ca 0.20 -1.30 -0.27 0.00 0.43 0.00 0.00 52.55 51.60 3dkh s ASP 471 Cb 0.17 -2.23 0.03 0.00 -0.30 0.00 0.00 42.92 40.58 3dkh s ASP 471 CO 0.44 -0.81 0.71 -3.20 -0.17 0.00 0.00 175.17 172.13 3dkh n ASN 472 N 5.64 -4.61 -4.79 -0.34 5.15 -0.99 -4.99 115.26 110.33 3dkh n ASN 472 Ca -0.11 -1.17 -0.29 0.00 -0.60 0.00 0.00 54.58 52.41 3dkh n ASN 472 Cb 0.43 -2.19 0.12 0.00 -0.53 0.00 0.00 39.78 37.60 3dkh n ASN 472 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3dkh s PRO 473 N -6.73 1.53 0.22 1.20 0.04 -1.26 -4.56 135.00 125.43 3dkh s PRO 473 Ca 0.44 0.13 -0.32 0.00 0.04 0.00 0.00 61.00 61.29 3dkh s PRO 473 Cb -0.22 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 3dkh s PRO 473 CO 0.93 -1.90 1.66 -2.30 0.04 0.00 0.00 177.00 175.43 3dkh n PRO 474 N -3.53 2.62 -3.98 0.56 -0.02 -1.24 -4.58 135.00 124.83 3dkh n PRO 474 Ca 0.08 0.94 -0.34 0.00 -2.02 0.00 0.00 63.50 62.16 3dkh n PRO 474 Cb 0.60 -2.75 -0.15 0.00 -0.02 0.00 0.00 33.50 31.19 3dkh n PRO 474 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3dkh s ARG 475 N 0.69 2.93 0.27 -0.52 3.52 -1.26 -0.99 118.95 123.59 3dkh s ARG 475 Ca 0.73 -0.91 -0.21 0.00 -0.13 0.00 0.00 55.73 55.22 3dkh s ARG 475 Cb -0.54 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 29.94 3dkh s ARG 475 CO 0.38 -0.34 0.70 -0.98 -0.81 0.00 0.00 175.30 174.24 3dkh s ARG 476 N 1.34 1.75 0.12 5.12 1.70 -0.61 -4.69 118.95 123.68 3dkh s ARG 476 Ca 0.02 -0.98 0.23 0.00 -0.47 0.00 0.00 55.73 54.53 3dkh s ARG 476 Cb -0.16 0.60 0.14 0.00 -0.57 0.00 0.00 34.95 34.96 3dkh s ARG 476 CO -0.05 -0.79 1.13 -0.40 -1.08 0.00 0.00 175.30 174.10 3dkh n ASP 477 N -0.45 0.71 -3.82 -2.89 5.68 -1.26 -0.91 116.55 113.61 3dkh n ASP 477 Ca -0.05 0.10 -0.15 0.00 -0.50 0.00 0.00 54.79 54.20 3dkh n ASP 477 Cb 0.60 0.47 -0.15 0.00 -1.14 0.00 0.00 41.12 40.89 3dkh n ASP 477 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3dkh s THR 478 N -3.25 0.03 0.13 2.12 2.01 -1.26 -2.01 115.64 113.42 3dkh s THR 478 Ca 0.03 0.10 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 3dkh s THR 478 Cb 0.12 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 72.53 3dkh s THR 478 CO 0.77 0.08 0.33 0.28 -0.69 0.00 0.00 174.62 175.39 3dkh s THR 479 N 0.67 0.08 0.13 -0.82 -1.32 -0.45 -4.92 115.64 109.00 3dkh s THR 479 Ca -0.06 -0.95 -0.27 0.00 -1.21 0.00 0.00 61.69 59.20 3dkh s THR 479 Cb -0.09 -1.42 -0.07 0.00 -1.51 0.00 0.00 72.50 69.42 3dkh s THR 479 CO -0.02 -0.38 0.85 -0.04 -2.21 0.00 0.00 174.62 172.83 3dkh s MET 480 N -3.86 4.64 -0.47 7.08 -1.94 -1.26 -0.35 119.30 123.13 3dkh s MET 480 Ca 0.07 1.27 -0.12 0.00 -1.71 0.00 0.00 55.69 55.20 3dkh s MET 480 Cb 0.03 -3.33 0.10 0.00 2.01 0.00 0.00 34.83 33.64 3dkh s MET 480 CO -0.08 0.38 0.37 -1.17 -0.01 0.00 0.00 175.02 174.51 3dkh s LEU 481 N -0.53 5.65 0.35 -0.03 2.96 0.14 -4.89 118.68 122.32 3dkh s LEU 481 Ca 0.41 -1.65 -0.28 0.00 -0.22 0.00 0.00 54.13 52.38 3dkh s LEU 481 Cb -0.23 -2.09 -0.12 0.00 0.50 0.00 0.00 46.19 44.26 3dkh s LEU 481 CO 0.27 -0.68 1.42 -0.81 -1.32 0.00 0.00 176.35 175.23 3dkh n PRO 482 N 5.05 2.43 -1.69 0.98 -0.04 -1.26 -1.14 135.00 139.33 3dkh n PRO 482 Ca -0.11 0.85 -0.44 0.00 -0.04 0.00 0.00 63.50 63.76 3dkh n PRO 482 Cb 0.42 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.32 3dkh n PRO 482 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dkh n ALA 483 N 0.64 2.01 -0.15 0.55 0.00 -1.26 -2.24 120.51 120.06 3dkh n ALA 483 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3dkh n ALA 483 Cb 0.37 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3dkh n ALA 483 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dkh n GLY 484 N 3.51 2.01 0.00 0.00 0.00 -1.20 -4.79 105.19 104.71 3dkh n GLY 484 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3dkh n GLY 484 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkh n GLY 485 N -2.00 3.87 3.28 -0.02 0.00 -0.95 -1.73 105.19 107.64 3dkh n GLY 485 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 3dkh n GLY 485 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dkh s TRP 486 N 4.28 1.08 -0.13 1.61 1.48 -1.26 0.38 118.94 126.38 3dkh s TRP 486 Ca 0.00 -1.29 -0.09 0.00 -1.06 0.00 0.00 56.10 53.65 3dkh s TRP 486 Cb 0.00 -0.43 0.04 0.00 -1.16 0.00 0.00 33.47 31.92 3dkh s TRP 486 CO 0.00 -0.73 0.32 -1.17 -4.06 0.00 0.00 176.95 171.31 3dkh s LEU 487 N -3.16 0.51 -0.21 -4.66 2.96 -0.17 -1.54 118.68 112.41 3dkh s LEU 487 Ca 0.36 0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 54.91 3dkh s LEU 487 Cb 0.05 1.07 -0.01 0.00 0.50 0.00 0.00 46.19 47.81 3dkh s LEU 487 CO 0.13 -0.14 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.73 3dkh s LEU 488 N 0.68 2.80 0.32 -0.68 2.96 0.94 -0.89 118.68 124.81 3dkh s LEU 488 Ca -0.04 -0.41 0.09 0.00 -0.22 0.00 0.00 54.13 53.55 3dkh s LEU 488 Cb -0.05 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 3dkh s LEU 488 CO -0.04 -0.00 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.11 3dkh s LEU 489 N 1.37 2.66 -0.22 -0.68 1.43 0.14 -1.60 118.68 121.78 3dkh s LEU 489 Ca 0.05 -1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 51.84 3dkh s LEU 489 Cb -0.14 -0.95 0.06 0.00 0.03 0.00 0.00 46.19 45.19 3dkh s LEU 489 CO -0.04 -0.18 0.55 0.00 0.23 0.00 0.00 176.35 176.92 3dkh s ALA 490 N -2.67 -1.43 0.01 4.21 0.00 -0.77 -0.38 121.76 120.72 3dkh s ALA 490 Ca 0.31 1.83 0.00 0.00 0.00 0.00 0.00 51.96 54.11 3dkh s ALA 490 Cb 0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3dkh s ALA 490 CO 0.15 -0.30 -0.02 -0.59 0.00 0.00 0.00 175.76 175.00 3dkh s PHE 491 N 1.08 0.16 -0.10 0.00 -0.71 -1.12 0.15 117.98 117.44 3dkh s PHE 491 Ca -0.06 -0.15 -0.24 0.00 -1.04 0.00 0.00 56.93 55.44 3dkh s PHE 491 Cb -0.06 -0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.61 3dkh s PHE 491 CO -0.10 -0.05 0.74 0.50 -1.34 0.00 0.00 175.22 174.98 3dkh s ARG 492 N -0.41 4.39 -1.08 1.99 3.52 -1.26 -1.86 118.95 124.25 3dkh s ARG 492 Ca -0.04 0.92 -0.16 0.00 -0.13 0.00 0.00 55.73 56.32 3dkh s ARG 492 Cb -0.03 -3.49 -0.08 0.00 -1.56 0.00 0.00 34.95 29.79 3dkh s ARG 492 CO -0.00 -0.07 2.14 0.25 -0.81 0.00 0.00 175.30 176.81 3dkh n THR 493 N 4.11 2.63 -0.49 4.11 -2.24 -0.66 -4.58 114.28 117.16 3dkh n THR 493 Ca 0.01 -2.08 0.08 0.00 -2.27 0.00 0.00 64.05 59.79 3dkh n THR 493 Cb 0.51 -2.40 0.26 0.00 -2.10 0.00 0.00 70.33 66.60 3dkh n THR 493 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dkh n ASP 494 N 6.17 3.85 -3.33 3.42 5.75 -1.26 -1.96 116.55 129.20 3dkh n ASP 494 Ca 0.52 -2.32 -0.21 0.00 -0.01 0.00 0.00 54.79 52.78 3dkh n ASP 494 Cb 0.34 -0.44 -0.08 0.00 -1.03 0.00 0.00 41.12 39.91 3dkh n ASP 494 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3dkh s ASN 495 N -1.13 1.31 -0.04 -1.12 2.47 -1.26 -4.90 114.94 110.26 3dkh s ASN 495 Ca 0.39 -2.13 -0.34 0.00 0.42 0.00 0.00 52.86 51.20 3dkh s ASN 495 Cb 0.25 0.24 -0.12 0.00 -1.45 0.00 0.00 41.25 40.16 3dkh s ASN 495 CO 0.20 -0.22 1.81 -2.65 -3.72 0.00 0.00 177.10 172.52 3dkh n PRO 496 N 3.68 2.12 0.00 0.43 -0.02 -1.26 -4.89 135.00 135.06 3dkh n PRO 496 Ca 0.17 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3dkh n PRO 496 Cb 0.45 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3dkh n PRO 496 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkh n GLY 497 N 4.18 0.19 3.51 -1.23 0.00 0.06 -4.74 105.19 107.15 3dkh n GLY 497 Ca 0.22 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3dkh n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkh s ALA 498 N -2.00 3.43 -0.11 4.61 0.00 -1.26 -0.47 121.76 125.96 3dkh s ALA 498 Ca 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.64 3dkh s ALA 498 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3dkh s ALA 498 CO 0.00 -1.51 -0.23 -1.58 0.00 0.00 0.00 175.76 172.44 3dkh s TRP 499 N 2.28 2.59 0.31 0.00 0.52 0.03 -4.80 118.94 119.85 3dkh s TRP 499 Ca 0.15 -1.12 -0.27 0.00 0.02 0.00 0.00 56.10 54.87 3dkh s TRP 499 Cb -0.16 -1.74 -0.09 0.00 -1.15 0.00 0.00 33.47 30.33 3dkh s TRP 499 CO 0.14 -0.47 0.99 -0.51 0.02 0.00 0.00 176.95 177.13 3dkh s LEU 500 N 0.46 4.42 -0.20 2.99 1.43 -1.26 0.33 118.68 126.85 3dkh s LEU 500 Ca -0.16 1.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.92 3dkh s LEU 500 Cb -0.17 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.23 3dkh s LEU 500 CO 0.06 -0.11 -0.01 0.12 0.23 0.00 0.00 176.35 176.65 3dkh s PHE 501 N -1.43 1.56 0.23 0.29 5.36 -0.69 -1.19 117.98 122.10 3dkh s PHE 501 Ca 0.48 -1.17 -0.13 0.00 -0.96 0.00 0.00 56.93 55.16 3dkh s PHE 501 Cb -0.24 -1.24 -0.00 0.00 -0.34 0.00 0.00 43.02 41.20 3dkh s PHE 501 CO 0.30 -0.66 0.47 -3.38 -1.46 0.00 0.00 175.22 170.49 3dkh s HIS 502 N 1.68 0.30 0.14 10.12 -3.43 0.02 -1.21 115.29 122.91 3dkh s HIS 502 Ca -0.02 -0.66 -0.30 0.00 -0.80 0.00 0.00 55.06 53.28 3dkh s HIS 502 Cb -0.17 0.20 -0.06 0.00 -1.43 0.00 0.00 32.58 31.11 3dkh s HIS 502 CO -0.07 -0.96 1.01 0.00 -2.00 0.00 0.00 174.74 172.72 3dkh n HIS 504 N 2.63 0.08 -2.48 0.00 -0.00 0.06 -4.27 115.22 111.24 3dkh n HIS 504 Ca 0.02 -0.04 -0.43 0.00 0.46 0.00 0.00 57.72 57.73 3dkh n HIS 504 Cb 0.48 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.33 3dkh n HIS 504 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3dkh s ILE 505 N -1.92 4.29 0.39 3.57 1.01 -1.26 -4.76 121.20 122.52 3dkh s ILE 505 Ca 0.35 1.50 0.18 0.00 0.00 0.00 0.00 60.65 62.69 3dkh s ILE 505 Cb 0.18 -4.18 0.39 0.00 0.01 0.00 0.00 42.46 38.86 3dkh s ILE 505 CO 0.29 -0.37 1.75 0.00 0.00 0.00 0.00 174.94 176.61 3dkh h ALA 506 N 8.64 2.21 -0.05 9.38 0.00 -0.86 -1.44 119.26 137.13 3dkh h ALA 506 Ca -0.24 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 3dkh h ALA 506 Cb 1.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3dkh h ALA 506 CO 1.01 -0.66 -0.76 -1.49 0.00 0.00 0.00 179.25 177.35 3dkh h TRP 507 N 0.39 0.49 -0.02 0.00 -0.00 -1.90 -2.32 115.95 112.58 3dkh h TRP 507 Ca 0.63 -0.23 -0.25 0.00 -0.00 0.00 0.00 58.89 59.04 3dkh h TRP 507 Cb 1.58 -0.07 0.01 0.00 -0.00 0.00 0.00 29.16 30.68 3dkh h TRP 507 CO -0.00 0.99 -0.98 0.45 -0.00 0.00 0.00 178.44 178.90 3dkh h HIS 508 N 0.23 0.94 0.00 0.49 3.86 -1.66 -1.51 115.15 117.51 3dkh h HIS 508 Ca -0.04 -0.49 -0.07 0.00 -1.16 0.00 0.00 60.37 58.61 3dkh h HIS 508 Cb 1.35 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 3dkh h HIS 508 CO 0.04 1.33 -0.32 -0.24 0.86 0.00 0.00 177.93 179.59 3dkh h VAL 509 N 0.38 0.72 -0.01 2.45 3.04 -1.33 -1.24 116.25 120.26 3dkh h VAL 509 Ca -0.11 -1.44 -0.22 0.00 -1.01 0.00 0.00 66.70 63.92 3dkh h VAL 509 Cb 1.62 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 32.83 3dkh h VAL 509 CO 0.19 0.32 -0.92 0.28 -1.01 0.00 0.00 177.57 176.42 3dkh h SER 510 N 0.00 0.55 1.12 3.17 0.02 -1.38 -3.10 113.55 113.93 3dkh h SER 510 Ca -0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3dkh h SER 510 Cb 0.91 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3dkh h SER 510 CO 0.04 1.22 0.00 1.23 -1.14 0.00 0.00 176.83 178.18 3dkh h GLY 511 N 1.21 0.00 0.00 -3.77 0.00 -0.73 -2.65 103.07 97.12 3dkh h GLY 511 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3dkh h GLY 511 CO 0.16 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.31 3dkh n GLY 512 N 0.25 0.32 3.42 4.60 0.00 -0.72 -1.99 105.19 111.07 3dkh n GLY 512 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3dkh n GLY 512 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dkh n LEU 513 N 0.00 3.68 -3.49 0.99 0.00 -0.55 -1.98 117.00 115.65 3dkh n LEU 513 Ca 0.00 -3.21 -0.11 0.00 0.00 0.00 0.00 56.01 52.68 3dkh n LEU 513 Cb 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 43.42 41.82 3dkh n LEU 513 CO 0.00 -1.12 0.57 -0.55 0.00 0.00 0.00 177.39 176.29 3dkh s SER 514 N 5.72 -0.48 0.20 1.96 0.15 -1.26 -2.36 113.70 117.63 3dkh s SER 514 Ca 0.63 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.44 3dkh s SER 514 Cb 0.04 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 3dkh s SER 514 CO 0.12 -0.70 0.08 0.68 1.20 0.00 0.00 173.24 174.62 3dkh s VAL 515 N -2.79 0.36 -0.23 4.45 -7.23 -0.35 -4.41 120.40 110.20 3dkh s VAL 515 Ca 0.00 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 3dkh s VAL 515 Cb -0.01 -2.39 0.06 0.00 0.56 0.00 0.00 36.38 34.60 3dkh s VAL 515 CO -0.06 -0.18 -0.01 -0.62 -0.31 0.00 0.00 175.10 173.92 3dkh s ASP 516 N -3.20 3.55 -0.71 4.85 -1.08 -0.23 -1.71 116.67 118.13 3dkh s ASP 516 Ca 0.33 -1.11 -0.27 0.00 -0.52 0.00 0.00 52.55 50.98 3dkh s ASP 516 Cb 0.07 -0.96 0.03 0.00 -1.46 0.00 0.00 42.92 40.61 3dkh s ASP 516 CO 0.09 -0.28 1.26 -0.36 0.52 0.00 0.00 175.17 176.40 3dkh s PHE 517 N 1.57 2.34 -1.10 -5.34 0.08 0.15 -0.75 117.98 114.93 3dkh s PHE 517 Ca -0.03 0.00 -0.18 0.00 0.12 0.00 0.00 56.93 56.85 3dkh s PHE 517 Cb -0.18 -4.60 0.12 0.00 -0.57 0.00 0.00 43.02 37.78 3dkh s PHE 517 CO -0.08 -2.00 1.40 -1.17 -0.10 0.00 0.00 175.22 173.27 3dkh s LEU 518 N 5.57 4.54 -0.06 -0.37 2.96 -0.75 -0.79 118.68 129.78 3dkh s LEU 518 Ca 0.36 -2.31 -0.30 0.00 -0.22 0.00 0.00 54.13 51.66 3dkh s LEU 518 Cb -0.08 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 3dkh s LEU 518 CO 0.16 -1.06 1.12 -0.70 -1.32 0.00 0.00 176.35 174.55 3dkh s GLU 519 N 3.04 4.39 -1.12 1.98 2.12 0.38 -2.20 118.70 127.30 3dkh s GLU 519 Ca 0.42 1.57 -0.27 0.00 0.36 0.00 0.00 54.97 57.05 3dkh s GLU 519 Cb -0.02 -3.53 0.04 0.00 0.26 0.00 0.00 34.13 30.88 3dkh s GLU 519 CO -0.03 -0.37 0.66 0.54 -0.54 0.00 0.00 175.26 175.52 3dkh n ARG 520 N 4.98 -0.53 -0.24 4.30 1.74 -0.02 -0.76 116.66 126.13 3dkh n ARG 520 Ca 0.10 0.23 0.06 0.00 -0.77 0.00 0.00 57.85 57.47 3dkh n ARG 520 Cb 0.47 -2.39 0.31 0.00 -1.02 0.00 0.00 32.46 29.83 3dkh n ARG 520 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3dkh h PRO 521 N -2.10 0.83 0.00 5.56 0.13 -1.82 -1.61 132.00 132.99 3dkh h PRO 521 Ca -0.70 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.34 3dkh h PRO 521 Cb 1.41 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3dkh h PRO 521 CO 0.48 0.55 -0.16 0.00 -0.23 0.00 0.00 178.00 178.64 3dkh h ALA 522 N 1.57 1.36 0.00 -0.56 0.00 -1.97 -2.65 119.26 117.00 3dkh h ALA 522 Ca 0.36 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 3dkh h ALA 522 Cb 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3dkh h ALA 522 CO -0.13 0.20 -1.66 -0.25 0.00 0.00 0.00 179.25 177.40 3dkh n ASP 523 N -3.80 0.83 -0.18 0.00 8.00 -0.79 -4.48 116.55 116.14 3dkh n ASP 523 Ca -0.02 0.39 -0.07 0.00 0.71 0.00 0.00 54.79 55.80 3dkh n ASP 523 Cb 0.26 0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.45 3dkh n ASP 523 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3dkh h LEU 524 N 0.00 0.60 -0.71 0.64 5.85 -0.94 -3.26 115.31 117.49 3dkh h LEU 524 Ca -0.26 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3dkh h LEU 524 Cb 1.90 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.72 3dkh h LEU 524 CO 0.07 0.43 0.36 -0.09 -0.34 0.00 0.00 178.44 178.87 3dkh h ARG 525 N 0.70 0.61 0.00 1.25 2.43 -1.78 -2.66 114.38 114.94 3dkh h ARG 525 Ca 0.19 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 3dkh h ARG 525 Cb -0.07 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3dkh h ARG 525 CO -0.05 0.41 -0.46 1.96 -1.51 0.00 0.00 179.97 180.32 3dkh h GLN 526 N 0.63 0.00 0.00 0.20 7.50 -1.83 -3.15 115.11 118.45 3dkh h GLN 526 Ca 0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.49 3dkh h GLN 526 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.85 3dkh h GLN 526 CO -0.25 0.46 -0.04 0.54 -1.50 0.00 0.00 178.83 178.05 3dkh n ARG 527 N -3.65 0.14 -2.84 1.46 1.74 -1.01 -4.77 116.66 107.74 3dkh n ARG 527 Ca -0.01 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 3dkh n ARG 527 Cb 0.55 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 3dkh n ARG 527 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dkh s ILE 528 N -3.06 4.67 0.81 0.55 1.01 -1.17 -4.97 121.20 119.05 3dkh s ILE 528 Ca 0.12 1.29 -0.10 0.00 0.00 0.00 0.00 60.65 61.96 3dkh s ILE 528 Cb 0.15 -4.26 0.08 0.00 0.01 0.00 0.00 42.46 38.45 3dkh s ILE 528 CO 0.58 -0.38 1.11 -0.94 0.00 0.00 0.00 174.94 175.30 3dkh s SER 529 N 1.70 4.06 0.34 3.58 1.04 -1.26 -4.86 113.70 118.30 3dkh s SER 529 Ca 0.37 1.91 0.07 0.00 0.48 0.00 0.00 55.95 58.77 3dkh s SER 529 Cb -0.13 -2.52 0.61 0.00 0.10 0.00 0.00 66.02 64.07 3dkh s SER 529 CO 0.15 -2.34 1.82 -0.61 0.98 0.00 0.00 173.24 173.25 3dkh h GLN 530 N -1.34 0.32 -0.54 4.02 5.75 -1.98 -1.71 115.11 119.63 3dkh h GLN 530 Ca -0.44 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 57.93 3dkh h GLN 530 Cb 1.24 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 3dkh h GLN 530 CO 0.49 0.52 0.19 0.93 -2.65 0.00 0.00 178.83 178.31 3dkh h GLU 531 N 0.30 0.82 -0.18 1.69 3.07 -1.99 -0.21 114.58 118.08 3dkh h GLU 531 Ca 0.05 -0.16 -0.21 0.00 -0.50 0.00 0.00 59.36 58.54 3dkh h GLU 531 Cb 0.53 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3dkh h GLU 531 CO 0.03 0.73 -0.73 -0.44 -1.40 0.00 0.00 179.01 177.21 3dkh h ASP 532 N 0.74 0.94 -0.05 1.42 3.32 -1.88 -2.62 116.42 118.28 3dkh h ASP 532 Ca 0.18 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 3dkh h ASP 532 Cb 0.23 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3dkh h ASP 532 CO -0.01 1.39 0.01 -0.08 -1.72 0.00 0.00 179.24 178.83 3dkh h GLU 533 N 0.56 0.09 -0.48 3.56 4.81 -1.17 -0.10 114.58 121.86 3dkh h GLU 533 Ca -0.04 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3dkh h GLU 533 Cb 1.35 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 3dkh h GLU 533 CO 0.15 0.32 0.29 -0.44 -0.73 0.00 0.00 179.01 178.60 3dkh h ASP 534 N -0.15 0.48 0.22 1.04 5.19 -1.11 -0.96 116.42 121.13 3dkh h ASP 534 Ca 0.02 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.31 3dkh h ASP 534 Cb 0.27 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3dkh h ASP 534 CO 0.00 0.34 -0.43 -0.78 -3.12 0.00 0.00 179.24 175.25 3dkh h ASP 535 N 0.59 0.29 -0.28 6.45 3.58 -1.42 0.10 116.42 125.72 3dkh h ASP 535 Ca 0.19 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 3dkh h ASP 535 Cb -0.00 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3dkh h ASP 535 CO -0.08 0.69 0.03 0.15 -2.88 0.00 0.00 179.24 177.16 3dkh h PHE 536 N 0.23 0.51 -0.04 0.28 3.04 -0.56 -1.82 116.94 118.57 3dkh h PHE 536 Ca 0.02 -0.08 -0.11 0.00 3.98 0.00 0.00 57.97 61.78 3dkh h PHE 536 Cb 0.86 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 3dkh h PHE 536 CO 0.02 0.59 -0.49 -0.91 -2.02 0.00 0.00 178.31 175.50 3dkh h ASN 537 N 0.28 0.11 -0.12 0.41 2.35 -0.92 -2.26 115.58 115.43 3dkh h ASN 537 Ca 0.08 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3dkh h ASN 537 Cb 0.37 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 3dkh h ASN 537 CO 0.01 0.59 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.26 3dkh h ARG 538 N 0.09 0.23 -0.28 0.81 2.43 -0.60 -1.86 114.38 115.20 3dkh h ARG 538 Ca 0.00 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 3dkh h ARG 538 Cb 0.90 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3dkh h ARG 538 CO 0.07 0.52 -0.28 0.28 -1.51 0.00 0.00 179.97 179.05 3dkh h VAL 539 N -0.08 1.28 -0.26 0.20 2.07 -1.35 -2.29 116.25 115.81 3dkh h VAL 539 Ca 0.03 -1.35 -0.13 0.00 0.82 0.00 0.00 66.70 66.07 3dkh h VAL 539 Cb 0.43 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3dkh h VAL 539 CO 0.01 0.43 -0.38 0.00 0.02 0.00 0.00 177.57 177.66 3dkh h ASP 541 N 0.49 1.00 0.12 0.00 3.32 -1.13 0.28 116.42 120.50 3dkh h ASP 541 Ca 0.05 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 3dkh h ASP 541 Cb 0.87 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3dkh h ASP 541 CO 0.08 1.19 -0.38 -0.33 -1.72 0.00 0.00 179.24 178.08 3dkh h GLU 542 N 0.81 0.36 0.10 3.56 5.08 -1.32 -2.28 114.58 120.89 3dkh h GLU 542 Ca 0.10 -0.17 -0.29 0.00 -1.00 0.00 0.00 59.36 58.00 3dkh h GLU 542 Cb 0.83 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.10 3dkh h GLU 542 CO 0.07 0.69 -1.21 2.35 -1.00 0.00 0.00 179.01 179.92 3dkh h TRP 543 N 0.30 0.95 0.00 4.33 2.91 -1.13 -2.33 115.95 120.98 3dkh h TRP 543 Ca 0.03 -0.59 -0.02 0.00 1.13 0.00 0.00 58.89 59.45 3dkh h TRP 543 Cb 0.82 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.38 3dkh h TRP 543 CO 0.02 1.43 -0.07 0.00 -1.03 0.00 0.00 178.44 178.79 3dkh h ARG 544 N 0.27 0.00 0.19 2.65 3.08 -0.82 0.24 114.38 119.99 3dkh h ARG 544 Ca -0.17 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.59 3dkh h ARG 544 Cb 1.87 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.95 3dkh h ARG 544 CO 0.23 0.07 -1.33 0.00 -1.07 0.00 0.00 179.97 177.87 3dkh h ALA 545 N 1.93 -0.04 -0.18 0.04 0.00 -1.41 -3.38 119.26 116.23 3dkh h ALA 545 Ca -0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 54.91 53.91 3dkh h ALA 545 Cb 0.50 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dkh h ALA 545 CO 0.01 0.68 -0.28 -0.92 0.00 0.00 0.00 179.25 178.73 3dkh h TYR 546 N -0.07 0.63 -0.91 0.00 3.20 -1.08 -3.37 116.97 115.36 3dkh h TYR 546 Ca -0.25 -0.21 0.25 0.00 3.14 0.00 0.00 58.73 61.66 3dkh h TYR 546 Cb 1.95 -0.12 -0.14 0.00 1.54 0.00 0.00 36.73 39.96 3dkh h TYR 546 CO 0.14 0.92 0.32 2.35 -1.64 0.00 0.00 178.16 180.26 3dkh h TRP 547 N 0.15 0.50 0.00 -3.82 2.91 -1.13 -1.53 115.95 113.04 3dkh h TRP 547 Ca 0.01 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3dkh h TRP 547 Cb 0.87 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 3dkh h TRP 547 CO 0.09 -0.19 0.00 -2.30 -1.03 0.00 0.00 178.44 175.01 3dkh n PRO 548 N -5.17 0.13 0.00 2.65 -0.02 -1.26 -1.93 135.00 129.40 3dkh n PRO 548 Ca 0.24 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 3dkh n PRO 548 Cb 0.75 -1.83 0.14 0.00 -0.02 0.00 0.00 33.50 32.55 3dkh n PRO 548 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dkh n THR 549 N -2.09 0.00 -2.20 3.45 -2.24 -0.58 -4.92 114.28 105.70 3dkh n THR 549 Ca 0.01 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3dkh n THR 549 Cb 0.12 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 3dkh n THR 549 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3dkh s ASN 550 N -2.59 6.84 0.00 3.42 3.04 -0.81 -4.91 114.94 119.93 3dkh s ASN 550 Ca 0.19 2.17 0.29 0.00 0.04 0.00 0.00 52.86 55.55 3dkh s ASN 550 Cb 0.18 -2.57 1.46 0.00 -1.54 0.00 0.00 41.25 38.79 3dkh s ASN 550 CO 0.60 -0.71 2.00 -0.81 -3.04 0.00 0.00 177.10 175.13 3dkh n PRO 551 N 5.09 0.42 -4.48 0.43 -0.04 -1.26 -4.85 135.00 130.31 3dkh n PRO 551 Ca 0.13 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.30 3dkh n PRO 551 Cb 0.43 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 3dkh n PRO 551 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dkh s TYR 552 N -2.55 2.53 0.70 0.54 2.02 -1.26 -5.15 117.35 114.16 3dkh s TYR 552 Ca 0.28 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3dkh s TYR 552 Cb 0.19 -1.39 0.14 0.00 -0.40 0.00 0.00 41.96 40.50 3dkh s TYR 552 CO 0.44 0.32 0.95 -0.35 -1.57 0.00 0.00 175.55 175.34 3dkh n PRO 553 N 1.15 -0.06 -3.40 -1.71 -0.04 -1.26 -5.06 135.00 124.62 3dkh n PRO 553 Ca -0.16 -2.63 -0.44 0.00 -0.04 0.00 0.00 63.50 60.23 3dkh n PRO 553 Cb 0.52 -0.62 -0.07 0.00 -0.04 0.00 0.00 33.50 33.29 3dkh n PRO 553 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3dkh s LYS 554 N -4.99 2.93 0.33 0.54 2.20 -1.26 -4.95 119.74 114.55 3dkh s LYS 554 Ca 0.64 -1.44 0.23 0.00 -0.36 0.00 0.00 55.97 55.03 3dkh s LYS 554 Cb -0.04 -4.12 0.21 0.00 -1.51 0.00 0.00 37.83 32.37 3dkh s LYS 554 CO 0.42 -1.08 1.37 -0.84 -0.36 0.00 0.00 175.35 174.86 3dkh h ILE 555 N 5.82 0.00 -2.90 5.43 3.07 -2.01 -3.48 117.51 123.45 3dkh h ILE 555 Ca -0.28 -0.98 0.00 0.00 1.55 0.00 0.00 64.86 65.15 3dkh h ILE 555 Cb 1.10 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 39.42 3dkh h ILE 555 CO 0.90 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 177.10 3dkh n ASP 556 N -2.89 1.75 0.01 2.16 5.68 -1.26 -5.05 116.55 116.95 3dkh n ASP 556 Ca 0.02 -0.15 -0.01 0.00 -0.50 0.00 0.00 54.79 54.16 3dkh n ASP 556 Cb 0.53 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.79 3dkh n ASP 556 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3dkh h SER 557 N 0.00 0.47 0.00 -1.12 4.64 -1.70 -3.47 113.55 112.37 3dkh h SER 557 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3dkh h SER 557 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3dkh h SER 557 CO 0.00 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 3dkh n GLY 558 N -0.72 3.21 0.50 -0.77 0.00 -1.26 -2.12 105.19 104.02 3dkh n GLY 558 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3dkh n GLY 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32