#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 0.99 -0.96 0.52 -2.24 -0.81 -4.83 114.28 106.96 3dkh n THR 3 Ca 0.00 0.23 0.03 0.00 -2.27 0.00 0.00 64.05 62.04 3dkh n THR 3 Cb 0.00 -1.68 0.38 0.00 -2.10 0.00 0.00 70.33 66.92 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 -0.88 6.20 0.26 0.00 3.84 -1.26 -4.56 114.94 118.54 3dkh s ASN 5 Ca 0.55 -1.23 0.05 0.00 0.21 0.00 0.00 52.86 52.44 3dkh s ASN 5 Cb 0.43 -2.29 -0.05 0.00 -0.55 0.00 0.00 41.25 38.78 3dkh s ASN 5 CO 0.15 -1.00 -0.03 0.42 -2.79 0.00 0.00 177.10 173.85 3dkh s THR 6 N 2.59 1.37 0.56 -5.21 -4.23 -1.09 -5.02 115.64 104.61 3dkh s THR 6 Ca 0.12 -2.08 0.27 0.00 -1.18 0.00 0.00 61.69 58.82 3dkh s THR 6 Cb -0.22 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.60 3dkh s THR 6 CO 0.08 -0.32 2.02 -0.65 -0.54 0.00 0.00 174.62 175.21 3dkh h PRO 7 N 2.37 0.00 0.00 3.99 0.11 -1.90 -2.35 132.00 134.22 3dkh h PRO 7 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3dkh h PRO 7 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dkh h PRO 7 CO 0.66 0.00 -0.96 -1.13 -0.21 0.00 0.00 178.00 176.36 3dkh n SER 8 N -4.06 0.64 -3.45 -2.05 3.41 -1.26 -3.11 113.62 103.74 3dkh n SER 8 Ca 0.06 -0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.35 3dkh n SER 8 Cb 0.49 0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 64.97 3dkh n SER 8 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3dkh s ASN 9 N -4.20 1.90 0.00 4.04 2.47 -0.89 -4.88 114.94 113.38 3dkh s ASN 9 Ca 0.03 -3.04 0.27 0.00 0.42 0.00 0.00 52.86 50.54 3dkh s ASN 9 Cb 0.14 -0.54 0.79 0.00 -1.45 0.00 0.00 41.25 40.19 3dkh s ASN 9 CO 0.78 -0.18 1.60 0.54 -3.72 0.00 0.00 177.10 176.13 3dkh n ARG 10 N 2.91 0.24 0.11 0.43 5.12 -1.19 -2.67 116.66 121.61 3dkh n ARG 10 Ca 0.27 -0.11 -0.03 0.00 -1.93 0.00 0.00 57.85 56.04 3dkh n ARG 10 Cb 0.45 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.40 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 3.20 0.90 -2.34 7.54 0.00 -1.90 -1.30 119.26 125.36 3dkh h ALA 11 Ca 0.00 -0.56 -0.50 0.00 0.00 0.00 0.00 54.91 53.85 3dkh h ALA 11 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3dkh h ALA 11 CO 0.00 0.76 0.07 0.00 0.00 0.00 0.00 179.25 180.08 3dkh n TRP 13 N -0.50 -1.41 -3.72 0.00 -0.00 -1.12 -3.99 117.44 106.70 3dkh n TRP 13 Ca 0.03 0.25 -0.08 0.00 -0.00 0.00 0.00 57.50 57.70 3dkh n TRP 13 Cb 0.53 0.42 -0.00 0.00 -0.00 0.00 0.00 31.31 32.26 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 -3.23 -1.23 -4.61 5.87 3.41 -0.79 -1.92 113.62 111.12 3dkh n SER 14 Ca 0.00 -2.19 -0.43 0.00 -0.26 0.00 0.00 58.87 55.99 3dkh n SER 14 Cb 0.00 2.15 -0.03 0.00 -0.26 0.00 0.00 64.21 66.07 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 -2.44 5.90 0.00 4.04 -1.08 -1.26 -1.98 116.67 119.85 3dkh s ASP 15 Ca 0.15 1.74 0.00 0.00 -0.52 0.00 0.00 52.55 53.93 3dkh s ASP 15 Cb -0.02 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 3dkh s ASP 15 CO 0.11 -1.63 0.00 0.61 0.52 0.00 0.00 175.17 174.78 3dkh n GLY 16 N 5.29 1.05 2.98 2.66 0.00 -1.26 -5.01 105.19 110.90 3dkh n GLY 16 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.47 2.20 0.07 1.61 0.08 -0.84 -4.94 117.98 112.70 3dkh s PHE 17 Ca 0.00 -1.38 -0.00 0.00 0.12 0.00 0.00 56.93 55.66 3dkh s PHE 17 Cb 0.00 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 3dkh s PHE 17 CO 0.00 -0.70 0.09 -0.40 -0.10 0.00 0.00 175.22 174.12 3dkh n ASP 18 N 4.75 -0.26 0.28 1.36 5.68 -1.26 -1.89 116.55 125.21 3dkh n ASP 18 Ca -0.15 -1.39 0.16 0.00 -0.50 0.00 0.00 54.79 52.91 3dkh n ASP 18 Cb 0.48 0.49 0.80 0.00 -1.14 0.00 0.00 41.12 41.75 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 1.21 0.30 0.00 2.12 6.09 -1.63 -3.08 117.51 122.53 3dkh h ILE 19 Ca -0.05 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 3dkh h ILE 19 Cb 0.24 1.35 0.00 0.00 0.47 0.00 0.00 36.82 38.88 3dkh h ILE 19 CO 0.07 0.07 -0.86 0.59 -3.07 0.00 0.00 178.15 174.96 3dkh n ASN 20 N -3.37 0.63 -4.77 2.19 3.02 -1.26 -4.61 115.26 107.10 3dkh n ASN 20 Ca -0.01 -0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 53.98 3dkh n ASN 20 Cb 0.23 0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.95 3dkh n ASN 20 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3dkh s THR 21 N -3.16 3.25 -0.58 3.41 -4.23 -1.17 -4.81 115.64 108.36 3dkh s THR 21 Ca 0.05 1.16 -0.27 0.00 -1.18 0.00 0.00 61.69 61.45 3dkh s THR 21 Cb 0.15 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.29 3dkh s THR 21 CO 0.77 0.20 1.60 -0.62 -0.54 0.00 0.00 174.62 176.04 3dkh s ASP 22 N -0.95 5.79 0.55 3.99 -1.08 -1.26 -4.84 116.67 118.87 3dkh s ASP 22 Ca 0.51 0.32 0.33 0.00 -0.52 0.00 0.00 52.55 53.19 3dkh s ASP 22 Cb -0.32 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.00 3dkh s ASP 22 CO 0.41 -1.97 2.00 0.10 0.52 0.00 0.00 175.17 176.23 3dkh h TYR 23 N 12.57 0.00 0.00 -5.34 -0.00 -1.89 -1.89 116.97 120.42 3dkh h TYR 23 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 3dkh h TYR 23 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.85 3dkh h TYR 23 CO 1.04 0.02 0.00 0.39 -0.00 0.00 0.00 178.16 179.61 3dkh n GLU 24 N -3.13 0.14 0.00 0.10 1.02 -1.26 -3.94 120.64 113.57 3dkh n GLU 24 Ca 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3dkh n GLU 24 Cb 0.30 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.97 0.00 -4.32 2.62 0.24 -1.17 -5.06 118.33 108.67 3dkh n VAL 25 Ca 0.05 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.34 61.97 3dkh n VAL 25 Cb 0.31 1.13 -0.17 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.22 1.67 -0.01 -1.34 0.15 -0.72 -5.11 113.70 108.11 3dkh s SER 26 Ca 0.00 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.40 3dkh s SER 26 Cb 0.00 -0.73 0.01 0.00 -1.71 0.00 0.00 66.02 63.59 3dkh s SER 26 CO 0.00 -0.02 -0.00 -0.89 1.20 0.00 0.00 173.24 173.52 3dkh s THR 27 N 0.98 0.10 0.39 6.45 2.01 -1.26 -4.36 115.64 119.94 3dkh s THR 27 Ca -0.09 0.02 -0.26 0.00 0.31 0.00 0.00 61.69 61.67 3dkh s THR 27 Cb -0.15 -0.14 -0.09 0.00 0.01 0.00 0.00 72.50 72.14 3dkh s THR 27 CO 0.00 0.07 1.28 -2.84 -0.69 0.00 0.00 174.62 172.44 3dkh s PRO 28 N 0.39 4.04 -0.80 4.92 0.02 -1.26 -4.99 135.00 137.31 3dkh s PRO 28 Ca -0.03 2.11 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 3dkh s PRO 28 Cb -0.06 -2.79 0.21 0.00 0.02 0.00 0.00 34.50 31.89 3dkh s PRO 28 CO -0.01 -0.42 0.72 0.34 -0.33 0.00 0.00 177.00 177.30 3dkh s ASP 29 N -0.77 6.43 -0.01 2.53 2.15 -1.26 -4.38 116.67 121.36 3dkh s ASP 29 Ca 0.56 -2.82 0.02 0.00 0.43 0.00 0.00 52.55 50.74 3dkh s ASP 29 Cb -0.37 -2.12 -0.25 0.00 -0.30 0.00 0.00 42.92 39.87 3dkh s ASP 29 CO 0.48 -0.50 0.79 0.71 -0.17 0.00 0.00 175.17 176.48 3dkh h THR 30 N 4.80 1.06 0.00 1.71 1.35 -1.90 -3.48 112.91 116.45 3dkh h THR 30 Ca 0.09 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 3dkh h THR 30 Cb 1.00 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 3dkh h THR 30 CO 0.76 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 177.39 3dkh n GLY 31 N 1.64 0.45 3.89 5.82 0.00 -1.26 -5.02 105.19 110.71 3dkh n GLY 31 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.98 5.32 -0.03 1.61 1.01 -1.26 -5.03 120.40 120.04 3dkh s VAL 32 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3dkh s VAL 32 Cb 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 3dkh s VAL 32 CO 0.00 0.30 -0.14 -0.89 0.00 0.00 0.00 175.10 174.37 3dkh s THR 33 N -1.36 1.16 -0.29 3.92 2.01 -1.26 -1.45 115.64 118.36 3dkh s THR 33 Ca 0.30 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 3dkh s THR 33 Cb -0.13 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.41 3dkh s THR 33 CO 0.18 0.34 0.05 -1.10 -0.69 0.00 0.00 174.62 173.40 3dkh s GLN 34 N -0.06 2.89 -0.07 4.92 -1.52 -0.26 -4.96 119.66 120.60 3dkh s GLN 34 Ca -0.00 -0.98 -0.04 0.00 -1.95 0.00 0.00 55.36 52.39 3dkh s GLN 34 Cb -0.09 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.37 3dkh s GLN 34 CO 0.01 -0.49 0.11 -1.12 -0.25 0.00 0.00 175.29 173.54 3dkh s SER 35 N 1.43 6.03 -0.03 5.90 0.01 -1.26 -1.37 113.70 124.41 3dkh s SER 35 Ca 0.01 0.32 -0.07 0.00 1.31 0.00 0.00 55.95 57.52 3dkh s SER 35 Cb -0.18 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.20 3dkh s SER 35 CO 0.01 0.35 0.15 -0.31 0.41 0.00 0.00 173.24 173.85 3dkh s TYR 36 N -1.09 -0.06 -0.17 2.43 1.51 -0.69 -5.00 117.35 114.28 3dkh s TYR 36 Ca 0.18 0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.39 3dkh s TYR 36 Cb -0.12 0.00 0.01 0.00 -0.11 0.00 0.00 41.96 41.75 3dkh s TYR 36 CO 0.08 -0.19 -0.20 0.08 -1.11 0.00 0.00 175.55 174.21 3dkh s VAL 37 N -0.70 2.17 -0.38 0.71 1.01 -1.26 -1.02 120.40 120.93 3dkh s VAL 37 Ca -0.08 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 3dkh s VAL 37 Cb -0.05 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3dkh s VAL 37 CO 0.01 0.54 0.23 -0.36 0.00 0.00 0.00 175.10 175.51 3dkh s PHE 38 N 1.11 3.24 -0.43 5.22 0.40 0.64 -4.90 117.98 123.26 3dkh s PHE 38 Ca 0.00 -0.80 -0.13 0.00 -0.60 0.00 0.00 56.93 55.41 3dkh s PHE 38 Cb -0.14 -2.47 0.06 0.00 0.51 0.00 0.00 43.02 40.98 3dkh s PHE 38 CO -0.08 -0.60 0.31 1.21 0.70 0.00 0.00 175.22 176.76 3dkh s ASN 39 N 1.60 5.92 -0.48 1.36 2.47 -1.26 -1.00 114.94 123.55 3dkh s ASN 39 Ca 0.03 -1.26 -0.23 0.00 0.42 0.00 0.00 52.86 51.83 3dkh s ASN 39 Cb -0.19 -2.09 0.03 0.00 -1.45 0.00 0.00 41.25 37.55 3dkh s ASN 39 CO 0.08 -0.54 0.79 -0.76 -3.72 0.00 0.00 177.10 172.95 3dkh s LEU 40 N 1.57 4.34 0.14 3.21 1.43 -0.90 -0.45 118.68 128.01 3dkh s LEU 40 Ca 0.03 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 3dkh s LEU 40 Cb -0.22 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 3dkh s LEU 40 CO 0.06 -0.99 -0.03 0.42 0.23 0.00 0.00 176.35 176.04 3dkh s THR 41 N 3.34 3.67 -0.30 5.49 -4.23 -0.20 -1.58 115.64 121.84 3dkh s THR 41 Ca 0.27 -1.30 -0.09 0.00 -1.18 0.00 0.00 61.69 59.40 3dkh s THR 41 Cb -0.13 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 3dkh s THR 41 CO 0.20 -0.00 0.13 -0.70 -0.54 0.00 0.00 174.62 173.71 3dkh s GLU 42 N -2.61 3.37 -0.22 3.99 2.12 -1.26 -0.98 118.70 123.10 3dkh s GLU 42 Ca 0.25 -0.69 -0.04 0.00 0.36 0.00 0.00 54.97 54.85 3dkh s GLU 42 Cb -0.10 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 3dkh s GLU 42 CO 0.17 -0.38 -0.02 0.08 -0.54 0.00 0.00 175.26 174.57 3dkh s VAL 43 N 1.60 3.54 0.15 3.70 1.01 -0.19 -4.99 120.40 125.22 3dkh s VAL 43 Ca 0.05 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 3dkh s VAL 43 Cb -0.17 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 3dkh s VAL 43 CO 0.05 0.41 0.52 -1.81 0.00 0.00 0.00 175.10 174.27 3dkh s ASP 44 N 1.46 6.75 -1.23 3.32 1.01 -1.26 -1.59 116.67 125.13 3dkh s ASP 44 Ca 0.05 0.99 -0.12 0.00 0.71 0.00 0.00 52.55 54.18 3dkh s ASP 44 Cb -0.14 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 3dkh s ASP 44 CO -0.02 0.09 0.68 0.59 0.21 0.00 0.00 175.17 176.71 3dkh n ASN 45 N 0.66 -3.37 -4.79 0.27 3.02 -0.26 -4.96 115.26 105.83 3dkh n ASN 45 Ca -0.05 -0.99 -0.39 0.00 -0.03 0.00 0.00 54.58 53.12 3dkh n ASN 45 Cb 0.52 -3.39 -0.06 0.00 -0.61 0.00 0.00 39.78 36.24 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 -3.63 3.85 -0.41 3.10 -0.00 -0.63 -4.84 118.94 116.37 3dkh s TRP 46 Ca 0.28 1.44 -0.27 0.00 -0.00 0.00 0.00 56.10 57.55 3dkh s TRP 46 Cb -0.10 -2.63 0.02 0.00 -0.00 0.00 0.00 33.47 30.76 3dkh s TRP 46 CO 0.86 0.54 1.01 1.41 -0.00 0.00 0.00 176.95 180.77 3dkh s MET 47 N -1.06 3.78 0.68 5.86 -2.45 -1.26 -0.95 119.30 123.90 3dkh s MET 47 Ca 0.32 0.58 -0.11 0.00 -1.25 0.00 0.00 55.69 55.23 3dkh s MET 47 Cb -0.21 -3.85 -0.00 0.00 1.25 0.00 0.00 34.83 32.02 3dkh s MET 47 CO 0.22 -1.12 1.07 0.20 1.05 0.00 0.00 175.02 176.44 3dkh s GLY 48 N 2.09 1.64 0.58 2.11 0.00 -0.58 -4.98 107.32 108.18 3dkh s GLY 48 Ca 0.42 -0.21 0.27 0.00 0.00 0.00 0.00 44.72 45.20 3dkh s GLY 48 CO 0.24 0.12 2.14 -2.55 0.00 0.00 0.00 173.10 173.05 3dkh h PRO 49 N -0.56 0.00 -0.36 2.90 0.11 -1.86 -1.95 132.00 130.27 3dkh h PRO 49 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dkh h PRO 49 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dkh h PRO 49 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3dkh n ASP 50 N -3.96 2.99 0.00 -2.05 5.75 -1.26 -4.28 116.55 113.73 3dkh n ASP 50 Ca 0.00 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3dkh n ASP 50 Cb 0.25 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 1.41 3.35 3.74 6.12 0.00 -0.73 -4.32 105.19 114.75 3dkh n GLY 51 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.79 3.86 -0.26 1.61 1.01 -1.26 -4.71 120.40 117.86 3dkh s VAL 52 Ca 0.00 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 63.44 3dkh s VAL 52 Cb 0.00 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3dkh s VAL 52 CO 0.00 0.32 0.67 -0.69 0.00 0.00 0.00 175.10 175.39 3dkh s VAL 53 N -0.48 4.95 0.01 2.92 1.01 -1.26 -1.52 120.40 126.02 3dkh s VAL 53 Ca 0.47 1.20 -0.18 0.00 0.00 0.00 0.00 61.98 63.48 3dkh s VAL 53 Cb -0.29 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 3dkh s VAL 53 CO 0.35 -0.00 0.50 -0.54 0.00 0.00 0.00 175.10 175.41 3dkh s LYS 54 N 2.58 4.14 0.17 2.72 1.02 -0.13 -4.91 119.74 125.34 3dkh s LYS 54 Ca 0.28 0.58 -0.19 0.00 0.02 0.00 0.00 55.97 56.66 3dkh s LYS 54 Cb -0.15 -3.28 0.10 0.00 -0.52 0.00 0.00 37.83 33.98 3dkh s LYS 54 CO 0.08 0.55 1.64 1.49 -0.92 0.00 0.00 175.35 178.19 3dkh h GLU 55 N 5.09 -0.10 -2.54 1.68 4.81 -1.88 -1.66 114.58 119.97 3dkh h GLU 55 Ca -0.48 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 3dkh h GLU 55 Cb 1.21 0.02 -0.22 0.00 0.63 0.00 0.00 28.75 30.40 3dkh h GLU 55 CO 0.65 -0.07 -0.10 0.21 -0.73 0.00 0.00 179.01 178.97 3dkh s LYS 56 N -6.15 0.70 0.04 1.92 2.20 -1.26 -1.11 119.74 116.08 3dkh s LYS 56 Ca -0.14 0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 55.81 3dkh s LYS 56 Cb 0.15 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.78 3dkh s LYS 56 CO 0.70 -0.15 0.09 0.14 -0.36 0.00 0.00 175.35 175.77 3dkh s VAL 57 N -0.40 0.14 -0.20 4.02 -7.23 -0.62 -4.75 120.40 111.36 3dkh s VAL 57 Ca -0.05 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 3dkh s VAL 57 Cb -0.03 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 36.00 3dkh s VAL 57 CO 0.03 -0.63 -0.18 -0.04 -0.31 0.00 0.00 175.10 173.98 3dkh s MET 58 N -2.73 2.78 0.11 4.82 -1.94 -0.81 -1.03 119.30 120.50 3dkh s MET 58 Ca -0.04 -0.94 0.07 0.00 -1.71 0.00 0.00 55.69 53.08 3dkh s MET 58 Cb -0.00 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 3dkh s MET 58 CO -0.05 -0.30 -0.18 -0.51 -0.01 0.00 0.00 175.02 173.97 3dkh s LEU 59 N 1.26 2.33 -0.29 -0.03 1.43 -0.16 -2.98 118.68 120.24 3dkh s LEU 59 Ca 0.02 -0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 52.25 3dkh s LEU 59 Cb -0.15 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 3dkh s LEU 59 CO -0.11 -0.01 0.40 -0.63 0.23 0.00 0.00 176.35 176.24 3dkh s ILE 60 N -1.43 5.14 -1.45 -0.59 1.01 -1.26 -1.03 121.20 121.60 3dkh s ILE 60 Ca 0.06 0.50 -0.07 0.00 0.00 0.00 0.00 60.65 61.14 3dkh s ILE 60 Cb -0.09 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.66 3dkh s ILE 60 CO 0.04 0.07 0.63 0.59 0.00 0.00 0.00 174.94 176.27 3dkh n ASN 61 N 5.41 -5.18 -0.87 3.58 3.02 0.40 -3.09 115.26 118.53 3dkh n ASN 61 Ca -0.08 -0.37 -0.11 0.00 -0.03 0.00 0.00 54.58 53.99 3dkh n ASN 61 Cb 0.50 -4.20 -0.05 0.00 -0.61 0.00 0.00 39.78 35.42 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 -1.44 1.18 3.58 7.41 0.00 -1.26 -5.01 105.19 109.65 3dkh n GLY 62 Ca -0.06 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.60 3.86 0.29 1.61 0.01 -1.18 -5.05 114.94 111.89 3dkh s ASN 63 Ca 0.00 -1.20 0.03 0.00 -0.71 0.00 0.00 52.86 50.99 3dkh s ASN 63 Cb 0.00 -0.39 0.64 0.00 0.41 0.00 0.00 41.25 41.91 3dkh s ASN 63 CO 0.00 -0.27 1.80 -0.29 -1.51 0.00 0.00 177.10 176.83 3dkh h ILE 64 N 1.91 0.81 -3.40 0.60 6.09 -1.92 -3.38 117.51 118.22 3dkh h ILE 64 Ca -0.43 -0.30 -0.40 0.00 -1.37 0.00 0.00 64.86 62.37 3dkh h ILE 64 Cb 1.25 -0.13 -0.14 0.00 0.47 0.00 0.00 36.82 38.26 3dkh h ILE 64 CO 0.72 0.16 -0.61 -0.04 -3.07 0.00 0.00 178.15 175.30 3dkh s MET 65 N -5.91 1.50 0.96 2.19 -1.94 -1.26 -4.78 119.30 110.06 3dkh s MET 65 Ca -0.12 -1.82 -0.15 0.00 -1.71 0.00 0.00 55.69 51.89 3dkh s MET 65 Cb 0.24 -0.51 0.21 0.00 2.01 0.00 0.00 34.83 36.78 3dkh s MET 65 CO 0.80 -0.25 1.32 0.20 -0.01 0.00 0.00 175.02 177.08 3dkh s GLY 66 N -3.38 1.81 0.59 -0.03 0.00 0.61 -4.74 107.32 102.17 3dkh s GLY 66 Ca 0.37 -1.36 -0.18 0.00 0.00 0.00 0.00 44.72 43.55 3dkh s GLY 66 CO 0.14 -0.56 1.15 2.56 0.00 0.00 0.00 173.10 176.39 3dkh s PRO 67 N -5.87 3.08 -0.52 2.90 0.04 -1.26 -4.70 135.00 128.67 3dkh s PRO 67 Ca 0.75 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 3dkh s PRO 67 Cb -0.03 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3dkh s PRO 67 CO 0.53 -1.07 1.35 -0.80 0.04 0.00 0.00 177.00 177.05 3dkh s ASN 68 N -1.93 6.28 -0.37 6.66 0.01 -1.26 -4.51 114.94 119.82 3dkh s ASN 68 Ca 0.73 0.41 -0.29 0.00 -0.71 0.00 0.00 52.86 53.00 3dkh s ASN 68 Cb -0.25 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 38.86 3dkh s ASN 68 CO 0.32 -1.56 1.56 -0.63 -1.51 0.00 0.00 177.10 175.29 3dkh s ILE 69 N 5.58 3.74 -0.17 0.60 1.01 -1.07 -4.97 121.20 125.92 3dkh s ILE 69 Ca 0.53 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.95 3dkh s ILE 69 Cb -0.11 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.41 3dkh s ILE 69 CO 0.28 -0.59 -0.20 -0.69 0.00 0.00 0.00 174.94 173.73 3dkh s VAL 70 N 5.91 2.11 0.23 2.92 1.01 -1.26 -0.77 120.40 130.54 3dkh s VAL 70 Ca 0.69 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 3dkh s VAL 70 Cb -0.18 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3dkh s VAL 70 CO 0.33 0.54 0.33 0.00 0.00 0.00 0.00 175.10 176.30 3dkh s ALA 71 N 1.17 0.38 0.43 5.51 0.00 -1.01 -4.99 121.76 123.25 3dkh s ALA 71 Ca 0.02 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 50.82 3dkh s ALA 71 Cb -0.14 1.21 0.00 0.00 0.00 0.00 0.00 23.12 24.20 3dkh s ALA 71 CO -0.10 -0.74 0.51 -0.80 0.00 0.00 0.00 175.76 174.63 3dkh s ASN 72 N -3.08 5.40 -0.06 0.00 0.01 -1.26 -0.32 114.94 115.62 3dkh s ASN 72 Ca 0.30 -0.58 -0.30 0.00 -0.71 0.00 0.00 52.86 51.57 3dkh s ASN 72 Cb 0.03 -0.55 -0.05 0.00 0.41 0.00 0.00 41.25 41.09 3dkh s ASN 72 CO 0.11 -0.77 1.63 0.86 -1.51 0.00 0.00 177.10 177.42 3dkh s TRP 73 N -2.42 2.04 0.00 2.20 -0.00 0.08 -2.51 118.94 118.33 3dkh s TRP 73 Ca 0.53 0.24 0.00 0.00 -0.00 0.00 0.00 56.10 56.87 3dkh s TRP 73 Cb -0.07 -3.89 0.00 0.00 -0.00 0.00 0.00 33.47 29.51 3dkh s TRP 73 CO 0.31 -3.72 0.00 0.41 -0.00 0.00 0.00 176.95 173.95 3dkh n GLY 74 N 4.09 2.94 3.75 5.86 0.00 -0.31 -4.63 105.19 116.90 3dkh n GLY 74 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.33 4.23 -0.16 1.61 1.01 -1.04 -4.34 116.67 116.64 3dkh s ASP 75 Ca 0.00 1.80 -0.04 0.00 0.71 0.00 0.00 52.55 55.02 3dkh s ASP 75 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3dkh s ASP 75 CO 0.00 -2.21 -0.02 -0.89 0.21 0.00 0.00 175.17 172.26 3dkh s THR 76 N -2.89 4.05 -0.25 -1.27 2.01 -0.53 -0.77 115.64 116.00 3dkh s THR 76 Ca 0.62 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.22 3dkh s THR 76 Cb -0.18 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 3dkh s THR 76 CO 0.56 0.49 0.16 -0.69 -0.69 0.00 0.00 174.62 174.45 3dkh s VAL 77 N 0.37 5.29 -0.14 3.82 1.01 0.17 -1.10 120.40 129.82 3dkh s VAL 77 Ca -0.03 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3dkh s VAL 77 Cb -0.14 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.77 3dkh s VAL 77 CO 0.02 0.33 -0.21 -0.70 0.00 0.00 0.00 175.10 174.54 3dkh s GLU 78 N 1.18 3.05 -0.06 2.72 2.12 -0.47 -1.35 118.70 125.90 3dkh s GLU 78 Ca 0.07 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.57 3dkh s GLU 78 Cb -0.14 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.83 3dkh s GLU 78 CO 0.06 0.02 -0.06 0.08 -0.54 0.00 0.00 175.26 174.82 3dkh s VAL 79 N 0.74 0.69 -0.41 3.70 1.01 0.57 -1.71 120.40 125.00 3dkh s VAL 79 Ca -0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 3dkh s VAL 79 Cb -0.16 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.54 3dkh s VAL 79 CO -0.00 0.28 0.28 -0.89 0.00 0.00 0.00 175.10 174.76 3dkh s THR 80 N 1.15 4.94 -0.41 3.92 2.01 -0.19 -0.09 115.64 126.98 3dkh s THR 80 Ca -0.07 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 3dkh s THR 80 Cb -0.14 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.58 3dkh s THR 80 CO -0.01 -0.34 0.47 -0.69 -0.69 0.00 0.00 174.62 173.36 3dkh s VAL 81 N 1.61 5.05 -0.21 3.82 1.01 -0.04 -0.26 120.40 131.37 3dkh s VAL 81 Ca 0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 3dkh s VAL 81 Cb -0.20 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3dkh s VAL 81 CO 0.08 -0.39 0.08 -0.63 0.00 0.00 0.00 175.10 174.24 3dkh s ILE 82 N 2.26 4.68 -0.55 2.22 1.01 -0.17 -2.00 121.20 128.66 3dkh s ILE 82 Ca 0.14 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 3dkh s ILE 82 Cb -0.16 -3.15 0.12 0.00 0.01 0.00 0.00 42.46 39.28 3dkh s ILE 82 CO 0.14 0.40 0.54 0.21 0.00 0.00 0.00 174.94 176.23 3dkh s ASN 83 N 0.93 6.19 -0.27 3.58 3.84 0.27 -2.12 114.94 127.36 3dkh s ASN 83 Ca 0.04 -1.64 0.12 0.00 0.21 0.00 0.00 52.86 51.59 3dkh s ASN 83 Cb -0.14 -2.23 0.61 0.00 -0.55 0.00 0.00 41.25 38.95 3dkh s ASN 83 CO 0.03 -0.90 1.59 0.59 -2.79 0.00 0.00 177.10 175.62 3dkh n ASN 84 N 5.52 3.94 -4.76 -4.21 3.02 -0.61 -0.45 115.26 117.71 3dkh n ASN 84 Ca -0.13 -3.29 -0.29 0.00 -0.03 0.00 0.00 54.58 50.85 3dkh n ASN 84 Cb 0.41 -0.65 0.13 0.00 -0.61 0.00 0.00 39.78 39.06 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 -3.00 2.07 -0.09 3.41 1.43 -1.12 -4.44 118.68 116.94 3dkh s LEU 85 Ca 0.48 1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 54.69 3dkh s LEU 85 Cb 0.40 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 3dkh s LEU 85 CO 0.09 -2.56 0.11 0.58 0.23 0.00 0.00 176.35 174.79 3dkh h VAL 86 N -1.50 0.00 0.00 -1.59 2.07 -1.94 -3.00 116.25 110.29 3dkh h VAL 86 Ca -0.51 -0.92 -0.21 0.00 0.82 0.00 0.00 66.70 65.88 3dkh h VAL 86 Cb 1.31 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3dkh h VAL 86 CO 0.60 0.00 -1.79 0.35 0.02 0.00 0.00 177.57 176.75 3dkh n THR 87 N -4.82 0.79 -1.81 2.57 -2.24 -1.26 -4.58 114.28 102.94 3dkh n THR 87 Ca -0.01 -0.29 -0.39 0.00 -2.27 0.00 0.00 64.05 61.09 3dkh n THR 87 Cb 0.04 -1.08 0.02 0.00 -2.10 0.00 0.00 70.33 67.21 3dkh n THR 87 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3dkh s ASN 88 N -5.46 5.68 0.76 3.42 0.02 -1.26 -4.73 114.94 113.37 3dkh s ASN 88 Ca -0.19 2.85 -0.01 0.00 -1.02 0.00 0.00 52.86 54.49 3dkh s ASN 88 Cb 0.05 -2.65 0.15 0.00 0.02 0.00 0.00 41.25 38.82 3dkh s ASN 88 CO 0.31 -1.30 1.04 -0.83 0.02 0.00 0.00 177.10 176.34 3dkh s GLY 89 N -0.68 1.75 0.33 0.66 0.00 -1.26 -3.95 107.32 104.16 3dkh s GLY 89 Ca 0.65 -1.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.34 3dkh s GLY 89 CO 0.53 -1.21 0.82 -1.08 0.00 0.00 0.00 173.10 172.16 3dkh s THR 90 N -3.21 0.00 -0.06 0.90 -1.32 -0.75 -4.88 115.64 106.32 3dkh s THR 90 Ca 0.68 -0.92 -0.31 0.00 -1.21 0.00 0.00 61.69 59.93 3dkh s THR 90 Cb -0.04 -2.70 0.12 0.00 -1.51 0.00 0.00 72.50 68.37 3dkh s THR 90 CO 0.45 0.00 1.13 -0.94 -2.21 0.00 0.00 174.62 173.06 3dkh s SER 91 N -3.09 -0.17 -0.14 8.08 1.04 -1.26 -0.18 113.70 117.98 3dkh s SER 91 Ca 0.15 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 3dkh s SER 91 Cb -0.05 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.35 3dkh s SER 91 CO 0.09 -0.42 -0.05 -0.63 0.98 0.00 0.00 173.24 173.22 3dkh s ILE 92 N -2.68 0.96 -0.05 -1.02 -1.09 -1.26 -3.55 121.20 112.51 3dkh s ILE 92 Ca 0.10 -0.42 -0.18 0.00 -2.23 0.00 0.00 60.65 57.91 3dkh s ILE 92 Cb 0.00 -1.10 -0.05 0.00 -1.58 0.00 0.00 42.46 39.73 3dkh s ILE 92 CO -0.04 0.20 0.51 -2.28 -1.23 0.00 0.00 174.94 172.10 3dkh s HIS 93 N 1.71 3.62 -0.76 3.97 5.65 0.17 -4.25 115.29 125.41 3dkh s HIS 93 Ca 0.03 1.03 -0.16 0.00 0.25 0.00 0.00 55.06 56.21 3dkh s HIS 93 Cb -0.14 -2.53 0.18 0.00 -1.18 0.00 0.00 32.58 28.91 3dkh s HIS 93 CO -0.08 0.33 0.76 -1.58 -0.65 0.00 0.00 174.74 173.52 3dkh s TRP 94 N -0.03 3.48 0.01 3.88 0.52 -1.25 -1.68 118.94 123.87 3dkh s TRP 94 Ca 0.28 -1.65 -0.30 0.00 0.02 0.00 0.00 56.10 54.44 3dkh s TRP 94 Cb -0.17 -3.90 -0.06 0.00 -1.15 0.00 0.00 33.47 28.19 3dkh s TRP 94 CO 0.14 -1.10 1.41 -1.58 0.02 0.00 0.00 176.95 175.84 3dkh s HIS 95 N 1.09 2.84 0.00 -1.98 2.46 -0.54 -3.00 115.29 116.16 3dkh s HIS 95 Ca 0.16 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.49 3dkh s HIS 95 Cb -0.15 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 3dkh s HIS 95 CO -0.05 -2.52 0.00 0.41 -2.47 0.00 0.00 174.74 170.11 3dkh n GLY 96 N 3.66 3.19 3.62 1.59 0.00 -1.26 -3.44 105.19 112.56 3dkh n GLY 96 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.73 4.45 0.48 -0.61 1.09 -1.16 -4.92 121.20 117.80 3dkh s ILE 97 Ca 0.00 1.54 0.19 0.00 -1.10 0.00 0.00 60.65 61.28 3dkh s ILE 97 Cb 0.00 -4.45 0.35 0.00 -1.06 0.00 0.00 42.46 37.31 3dkh s ILE 97 CO 0.00 -0.61 2.00 0.45 -0.10 0.00 0.00 174.94 176.68 3dkh h HIS 98 N 8.41 0.21 -5.79 3.97 3.86 -1.87 -3.39 115.15 120.55 3dkh h HIS 98 Ca -0.21 0.01 -0.35 0.00 -1.16 0.00 0.00 60.37 58.65 3dkh h HIS 98 Cb 1.06 -0.07 0.13 0.00 1.06 0.00 0.00 27.41 29.60 3dkh h HIS 98 CO 0.87 0.09 -0.80 1.04 0.86 0.00 0.00 177.93 179.99 3dkh n GLN 99 N -4.44 -5.70 -1.56 2.45 1.13 -1.26 -4.09 117.38 103.91 3dkh n GLN 99 Ca 0.09 0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 55.49 3dkh n GLN 99 Cb 0.45 -5.62 -0.04 0.00 0.11 0.00 0.00 30.24 25.14 3dkh n GLN 99 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3dkh n LYS 100 N -4.12 1.58 -1.25 -1.09 3.00 -1.26 -1.45 118.16 113.57 3dkh n LYS 100 Ca -0.28 0.36 -0.09 0.00 -0.00 0.00 0.00 58.31 58.31 3dkh n LYS 100 Cb 0.67 -3.15 -0.04 0.00 0.00 0.00 0.00 35.03 32.52 3dkh n LYS 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dkh n ASP 101 N 12.45 -5.05 -2.48 3.14 8.00 -1.26 -4.88 116.55 126.47 3dkh n ASP 101 Ca 0.34 0.21 -0.21 0.00 0.71 0.00 0.00 54.79 55.84 3dkh n ASP 101 Cb 0.43 -3.32 0.01 0.00 -0.02 0.00 0.00 41.12 38.23 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 -2.41 2.04 -0.23 -3.53 -2.24 -0.53 -4.91 114.28 102.47 3dkh n THR 102 Ca -0.09 -4.34 0.16 0.00 -2.27 0.00 0.00 64.05 57.51 3dkh n THR 102 Cb 0.45 -0.71 0.46 0.00 -2.10 0.00 0.00 70.33 68.44 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 2.62 0.49 0.09 3.42 -0.00 -1.86 -2.29 115.58 118.05 3dkh h ASN 103 Ca 0.20 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 3dkh h ASN 103 Cb 1.07 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 39.33 3dkh h ASN 103 CO 0.73 0.23 0.00 0.18 -0.00 0.00 0.00 177.43 178.57 3dkh n LEU 104 N -4.52 0.00 -0.74 0.34 4.32 -1.26 -2.26 117.00 112.87 3dkh n LEU 104 Ca 0.17 0.07 0.08 0.00 -0.02 0.00 0.00 56.01 56.32 3dkh n LEU 104 Cb 0.57 -0.07 0.12 0.00 -1.62 0.00 0.00 43.42 42.42 3dkh n LEU 104 CO 0.31 -0.03 0.57 1.41 -1.22 0.00 0.00 177.39 178.43 3dkh n HIS 105 N -1.07 0.22 0.26 -1.77 8.25 -0.86 -4.61 115.22 115.63 3dkh n HIS 105 Ca 0.13 -0.16 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 3dkh n HIS 105 Cb 0.09 -0.01 0.68 0.00 1.12 0.00 0.00 29.99 31.88 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 3.12 0.00 0.00 0.41 3.58 -1.60 -3.44 116.42 118.49 3dkh h ASP 106 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3dkh h ASP 106 Cb 0.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.78 3dkh h ASP 106 CO 0.00 0.14 0.00 0.61 -2.88 0.00 0.00 179.24 177.11 3dkh n GLY 107 N -0.63 0.69 3.58 -0.78 0.00 -1.26 -3.93 105.19 102.86 3dkh n GLY 107 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.70 3.08 0.22 4.61 0.00 -1.26 -4.50 121.76 121.21 3dkh s ALA 108 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 3dkh s ALA 108 Cb 0.00 -3.92 -0.10 0.00 0.00 0.00 0.00 23.12 19.10 3dkh s ALA 108 CO 0.00 -2.47 1.43 -0.80 0.00 0.00 0.00 175.76 173.92 3dkh s ASN 109 N 2.76 6.70 0.00 0.00 0.01 -1.26 -0.10 114.94 123.04 3dkh s ASN 109 Ca 0.42 2.59 0.00 0.00 -0.71 0.00 0.00 52.86 55.16 3dkh s ASN 109 Cb -0.08 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.96 3dkh s ASN 109 CO 0.26 -0.69 0.00 0.61 -1.51 0.00 0.00 177.10 175.78 3dkh n GLY 110 N 2.52 0.62 1.42 0.66 0.00 0.01 -4.77 105.19 105.65 3dkh n GLY 110 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.56 0.31 0.30 1.61 0.31 -0.97 -3.26 118.33 114.07 3dkh n VAL 111 Ca 0.00 0.10 0.10 0.00 -0.01 0.00 0.00 64.34 64.53 3dkh n VAL 111 Cb 0.03 -0.82 -0.14 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.92 0.00 -3.80 2.52 -2.24 0.86 -2.28 114.28 106.42 3dkh n THR 112 Ca 0.00 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 3dkh n THR 112 Cb 0.00 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -3.25 1.66 0.21 -0.78 -1.05 -1.13 -4.70 118.70 109.65 3dkh s GLU 113 Ca -0.03 -0.89 -0.03 0.00 -0.15 0.00 0.00 54.97 53.87 3dkh s GLU 113 Cb 0.14 0.58 -0.05 0.00 -0.44 0.00 0.00 34.13 34.36 3dkh s GLU 113 CO 0.84 -0.76 0.44 0.00 0.95 0.00 0.00 175.26 176.74 3dkh s PRO 115 N -3.17 4.05 -0.03 0.00 0.02 -1.26 -4.85 135.00 129.75 3dkh s PRO 115 Ca 0.41 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.37 3dkh s PRO 115 Cb -0.11 -2.84 -0.05 0.00 0.02 0.00 0.00 34.50 31.51 3dkh s PRO 115 CO 0.28 -0.46 1.53 0.42 -0.33 0.00 0.00 177.00 178.44 3dkh s ILE 116 N -1.21 3.61 0.70 2.83 1.01 0.74 -4.65 121.20 124.24 3dkh s ILE 116 Ca 0.55 0.89 -0.16 0.00 0.00 0.00 0.00 60.65 61.93 3dkh s ILE 116 Cb -0.40 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.52 3dkh s ILE 116 CO 0.52 -0.04 1.20 -2.16 0.00 0.00 0.00 174.94 174.46 3dkh s PRO 117 N 3.22 2.32 0.19 2.79 0.04 -1.26 -1.81 135.00 140.50 3dkh s PRO 117 Ca 0.68 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 3dkh s PRO 117 Cb -0.32 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.40 3dkh s PRO 117 CO 0.27 -1.69 0.23 -0.35 0.04 0.00 0.00 177.00 175.51 3dkh n PRO 118 N -2.53 -0.52 -3.05 0.56 -0.04 -1.25 -2.74 135.00 125.43 3dkh n PRO 118 Ca 0.13 -0.36 -0.22 0.00 -0.04 0.00 0.00 63.50 63.00 3dkh n PRO 118 Cb 0.50 -0.26 0.03 0.00 -0.04 0.00 0.00 33.50 33.73 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 -1.67 -4.63 0.00 0.54 5.02 -0.93 -3.39 118.16 113.10 3dkh n LYS 119 Ca 0.03 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 3dkh n LYS 119 Cb 0.11 -5.70 0.00 0.00 -0.02 0.00 0.00 35.03 29.42 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 -1.47 1.33 3.76 0.72 0.00 0.41 -4.98 105.19 104.96 3dkh n GLY 120 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 2.93 0.15 -0.02 0.00 -1.11 -4.73 107.32 102.55 3dkh s GLY 121 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 44.72 45.76 3dkh s GLY 121 CO 0.00 1.71 -0.05 -0.86 0.00 0.00 0.00 173.10 173.90 3dkh s GLN 122 N -1.19 1.05 -0.24 2.90 -2.07 -1.26 0.98 119.66 119.83 3dkh s GLN 122 Ca 0.48 -1.47 -0.26 0.00 -1.82 0.00 0.00 55.36 52.28 3dkh s GLN 122 Cb -0.34 -0.41 0.11 0.00 -1.09 0.00 0.00 33.01 31.28 3dkh s GLN 122 CO 0.43 -0.03 0.94 0.50 -1.32 0.00 0.00 175.29 175.81 3dkh s ARG 123 N -3.83 0.62 -0.16 9.60 3.52 -0.85 -4.96 118.95 122.88 3dkh s ARG 123 Ca 0.19 0.58 -0.03 0.00 -0.13 0.00 0.00 55.73 56.34 3dkh s ARG 123 Cb 0.05 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.72 3dkh s ARG 123 CO 0.01 -0.11 -0.07 0.99 -0.81 0.00 0.00 175.30 175.32 3dkh s THR 124 N -0.06 3.47 -0.14 4.11 2.01 -1.26 -0.86 115.64 122.92 3dkh s THR 124 Ca 0.01 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.44 3dkh s THR 124 Cb -0.04 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 3dkh s THR 124 CO -0.02 0.48 0.14 -0.31 -0.69 0.00 0.00 174.62 174.22 3dkh s TYR 125 N 0.64 3.56 -0.05 4.92 1.51 0.88 -4.96 117.35 123.86 3dkh s TYR 125 Ca -0.04 0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 56.49 3dkh s TYR 125 Cb -0.15 -1.98 0.03 0.00 -0.11 0.00 0.00 41.96 39.75 3dkh s TYR 125 CO 0.02 0.65 0.08 0.50 -1.11 0.00 0.00 175.55 175.70 3dkh s ARG 126 N -0.76 -0.04 -0.05 -0.62 3.52 -1.26 -0.31 118.95 119.43 3dkh s ARG 126 Ca 0.14 0.40 -0.10 0.00 -0.13 0.00 0.00 55.73 56.04 3dkh s ARG 126 Cb -0.12 -0.41 0.02 0.00 -1.56 0.00 0.00 34.95 32.88 3dkh s ARG 126 CO 0.03 -0.30 0.23 1.67 -0.81 0.00 0.00 175.30 176.12 3dkh s TRP 127 N 2.04 -0.16 0.14 5.12 1.48 -0.46 -4.93 118.94 122.16 3dkh s TRP 127 Ca 0.02 0.35 -0.25 0.00 -1.06 0.00 0.00 56.10 55.17 3dkh s TRP 127 Cb -0.12 0.05 -0.07 0.00 -1.16 0.00 0.00 33.47 32.17 3dkh s TRP 127 CO -0.04 -0.23 0.76 0.50 -4.06 0.00 0.00 176.95 173.88 3dkh s ARG 128 N -0.61 4.53 -1.36 3.25 6.06 -1.26 -0.66 118.95 128.91 3dkh s ARG 128 Ca -0.07 1.12 -0.15 0.00 -2.50 0.00 0.00 55.73 54.12 3dkh s ARG 128 Cb -0.04 -3.28 0.08 0.00 0.06 0.00 0.00 34.95 31.77 3dkh s ARG 128 CO 0.02 0.52 1.93 0.00 -2.50 0.00 0.00 175.30 175.27 3dkh n ALA 129 N 1.83 4.62 1.56 6.12 0.00 0.05 -4.70 120.51 129.99 3dkh n ALA 129 Ca -0.05 -3.95 0.15 0.00 0.00 0.00 0.00 53.44 49.58 3dkh n ALA 129 Cb 0.49 -3.46 0.73 0.00 0.00 0.00 0.00 19.45 17.21 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 6.68 0.76 -4.09 0.00 1.74 -1.26 -1.16 116.66 119.33 3dkh n ARG 130 Ca 0.48 -0.16 -0.14 0.00 -0.77 0.00 0.00 57.85 57.26 3dkh n ARG 130 Cb 0.42 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.35 0.49 0.09 5.56 0.74 -1.26 -4.55 119.66 118.37 3dkh s GLN 131 Ca 0.34 -0.57 0.10 0.00 0.05 0.00 0.00 55.36 55.28 3dkh s GLN 131 Cb 0.21 -0.33 -0.03 0.00 1.10 0.00 0.00 33.01 33.96 3dkh s GLN 131 CO 0.44 0.07 -0.25 1.52 -0.55 0.00 0.00 175.29 176.51 3dkh s TYR 132 N -0.97 2.35 -3.65 1.67 1.13 -1.26 -4.86 117.35 111.77 3dkh s TYR 132 Ca -0.06 -0.37 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 3dkh s TYR 132 Cb -0.07 -1.33 0.00 0.00 -1.10 0.00 0.00 41.96 39.45 3dkh s TYR 132 CO 0.00 0.25 0.00 0.41 -2.51 0.00 0.00 175.55 173.70 3dkh n GLY 133 N 1.30 0.82 3.75 5.49 0.00 0.07 -4.65 105.19 111.97 3dkh n GLY 133 Ca -0.17 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.32 4.68 0.00 2.61 2.01 -1.26 -2.07 115.64 119.30 3dkh s THR 134 Ca 0.00 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 3dkh s THR 134 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3dkh s THR 134 CO 0.00 0.52 0.01 -1.20 -0.69 0.00 0.00 174.62 173.26 3dkh n SER 135 N 1.78 -0.02 -3.94 3.53 7.64 -0.55 -4.04 113.62 118.02 3dkh n SER 135 Ca -0.17 -1.02 -0.09 0.00 1.01 0.00 0.00 58.87 58.60 3dkh n SER 135 Cb 0.54 0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 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 -5.92 0.24 0.08 1.43 1.48 -1.22 -1.31 118.94 113.72 3dkh s TRP 136 Ca 0.00 -0.61 0.04 0.00 -1.06 0.00 0.00 56.10 54.48 3dkh s TRP 136 Cb -0.00 0.24 -0.03 0.00 -1.16 0.00 0.00 33.47 32.52 3dkh s TRP 136 CO 0.00 -0.97 -0.12 1.52 -4.06 0.00 0.00 176.95 173.32 3dkh s TYR 137 N -3.98 1.07 0.19 1.66 -0.85 0.10 -1.47 117.35 114.07 3dkh s TYR 137 Ca 0.19 -0.53 -0.23 0.00 -0.52 0.00 0.00 57.07 55.98 3dkh s TYR 137 Cb -0.01 -0.60 0.05 0.00 0.38 0.00 0.00 41.96 41.79 3dkh s TYR 137 CO 0.06 0.02 0.70 -3.38 -1.52 0.00 0.00 175.55 171.43 3dkh s HIS 138 N -1.66 -0.35 0.56 -3.49 -3.43 -0.68 -1.73 115.29 104.50 3dkh s HIS 138 Ca -0.01 0.05 -0.19 0.00 -0.80 0.00 0.00 55.06 54.11 3dkh s HIS 138 Cb -0.08 0.62 -0.05 0.00 -1.43 0.00 0.00 32.58 31.64 3dkh s HIS 138 CO 0.01 -0.97 1.13 0.45 -2.00 0.00 0.00 174.74 173.36 3dkh s SER 139 N -2.81 5.66 -0.12 7.38 0.15 -0.80 0.41 113.70 123.58 3dkh s SER 139 Ca 0.06 2.15 0.17 0.00 0.70 0.00 0.00 55.95 59.03 3dkh s SER 139 Cb -0.03 -2.58 0.26 0.00 -1.71 0.00 0.00 66.02 61.96 3dkh s SER 139 CO -0.04 -1.26 1.13 1.57 1.20 0.00 0.00 173.24 175.85 3dkh n HIS 140 N -1.42 0.00 -3.11 3.44 -0.00 -1.23 -4.47 115.22 108.44 3dkh n HIS 140 Ca 0.11 -0.90 -0.45 0.00 0.46 0.00 0.00 57.72 56.94 3dkh n HIS 140 Cb 0.51 -0.14 -0.01 0.00 -0.12 0.00 0.00 29.99 30.23 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 -2.60 3.60 0.00 1.57 5.36 -1.26 -4.40 117.98 120.24 3dkh s PHE 141 Ca 0.29 -1.98 0.00 0.00 -0.96 0.00 0.00 56.93 54.28 3dkh s PHE 141 Cb 0.25 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 3dkh s PHE 141 CO 0.03 -1.24 0.00 0.43 -1.46 0.00 0.00 175.22 172.97 3dkh n SER 142 N 4.96 0.00 -1.72 6.13 7.64 -1.23 -1.94 113.62 127.47 3dkh n SER 142 Ca 0.25 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.20 3dkh n SER 142 Cb 0.45 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 64.03 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 12.03 3.72 -0.39 -0.43 0.00 -1.26 -4.65 120.51 129.53 3dkh n ALA 143 Ca 0.00 -1.99 0.34 0.00 0.00 0.00 0.00 53.44 51.79 3dkh n ALA 143 Cb 0.00 -1.05 0.67 0.00 0.00 0.00 0.00 19.45 19.07 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 3.63 0.12 0.00 0.00 4.15 -1.71 0.47 115.11 121.78 3dkh h GLN 144 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3dkh h GLN 144 Cb 1.88 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.55 3dkh h GLN 144 CO 0.44 0.08 0.00 0.10 -1.93 0.00 0.00 178.83 177.52 3dkh h TYR 145 N 0.13 0.00 0.00 3.99 -0.00 -1.82 -0.90 116.97 118.36 3dkh h TYR 145 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.39 3dkh h TYR 145 Cb 2.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 39.01 3dkh h TYR 145 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 3dkh n GLY 146 N -0.69 -1.34 0.20 0.10 0.00 0.17 -2.02 105.19 101.60 3dkh n GLY 146 Ca -0.01 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.28 1.02 0.00 1.61 3.02 -0.34 -4.67 115.26 113.62 3dkh n ASN 147 Ca 0.02 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3dkh n ASN 147 Cb 0.26 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 1.40 1.27 2.57 7.41 0.00 -0.86 -1.93 105.19 115.05 3dkh n GLY 148 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 4.77 -4.35 1.61 0.31 -1.16 -4.52 118.33 115.00 3dkh n VAL 149 Ca 0.00 -4.01 -0.18 0.00 -0.01 0.00 0.00 64.34 60.14 3dkh n VAL 149 Cb 0.00 -2.26 -0.10 0.00 -0.91 0.00 0.00 33.84 30.57 3dkh n VAL 149 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dkh s VAL 150 N -0.01 1.19 -0.08 2.52 1.01 -1.26 -1.91 120.40 121.86 3dkh s VAL 150 Ca 0.52 -2.06 -0.32 0.00 0.00 0.00 0.00 61.98 60.12 3dkh s VAL 150 Cb 0.16 -2.34 0.14 0.00 0.00 0.00 0.00 36.38 34.34 3dkh s VAL 150 CO -0.06 -0.35 1.40 -0.83 0.00 0.00 0.00 175.10 175.26 3dkh s GLY 151 N -3.33 -0.46 0.17 4.51 0.00 -0.71 -0.28 107.32 107.21 3dkh s GLY 151 Ca 0.28 0.84 0.07 0.00 0.00 0.00 0.00 44.72 45.91 3dkh s GLY 151 CO 0.09 0.65 0.04 -0.51 0.00 0.00 0.00 173.10 173.37 3dkh s THR 152 N -2.10 3.96 -0.07 0.90 -4.23 -1.26 -0.73 115.64 112.11 3dkh s THR 152 Ca 0.16 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 3dkh s THR 152 Cb 0.07 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.91 3dkh s THR 152 CO -0.06 -0.10 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.11 3dkh s ILE 153 N -1.72 1.56 -0.29 2.99 1.01 -0.43 -2.59 121.20 121.74 3dkh s ILE 153 Ca 0.28 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3dkh s ILE 153 Cb -0.10 -1.36 0.09 0.00 0.01 0.00 0.00 42.46 41.10 3dkh s ILE 153 CO 0.20 0.45 0.08 -1.58 0.00 0.00 0.00 174.94 174.08 3dkh s GLN 154 N 0.27 0.78 -0.43 2.79 0.74 0.05 -1.49 119.66 122.38 3dkh s GLN 154 Ca -0.11 -0.98 -0.14 0.00 0.05 0.00 0.00 55.36 54.18 3dkh s GLN 154 Cb -0.15 -2.08 0.04 0.00 1.10 0.00 0.00 33.01 31.93 3dkh s GLN 154 CO 0.04 -0.90 0.31 0.42 -0.55 0.00 0.00 175.29 174.62 3dkh s ILE 155 N 1.63 5.08 0.31 -2.34 -1.09 -0.88 -2.40 121.20 121.51 3dkh s ILE 155 Ca 0.07 -0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 57.33 3dkh s ILE 155 Cb -0.17 -3.91 -0.10 0.00 -1.58 0.00 0.00 42.46 36.69 3dkh s ILE 155 CO -0.21 -0.40 1.26 0.20 -1.23 0.00 0.00 174.94 174.57 3dkh s ASN 156 N 1.98 6.89 0.00 3.58 0.01 0.56 -0.75 114.94 127.21 3dkh s ASN 156 Ca 0.04 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 54.77 3dkh s ASN 156 Cb -0.21 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.81 3dkh s ASN 156 CO 0.08 -0.45 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 3dkh n GLY 157 N 1.02 1.61 3.82 0.66 0.00 -1.26 -0.74 105.19 110.30 3dkh n GLY 157 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.61 2.21 0.31 1.61 0.04 -1.26 -5.00 135.00 131.31 3dkh s PRO 158 Ca 0.00 0.58 0.03 0.00 0.04 0.00 0.00 61.00 61.66 3dkh s PRO 158 Cb 0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 3dkh s PRO 158 CO 0.00 -1.52 0.06 0.00 0.04 0.00 0.00 177.00 175.59 3dkh s ALA 159 N -3.21 2.26 -2.28 8.56 0.00 -0.49 -4.92 121.76 121.68 3dkh s ALA 159 Ca 0.60 -2.03 0.20 0.00 0.00 0.00 0.00 51.96 50.74 3dkh s ALA 159 Cb -0.14 0.71 0.68 0.00 0.00 0.00 0.00 23.12 24.38 3dkh s ALA 159 CO 0.54 -0.33 1.51 -1.13 0.00 0.00 0.00 175.76 176.35 3dkh n SER 160 N -0.65 1.88 -3.64 0.00 3.41 -1.26 -3.76 113.62 109.60 3dkh n SER 160 Ca -0.02 -1.76 -0.15 0.00 -0.26 0.00 0.00 58.87 56.68 3dkh n SER 160 Cb 0.66 -0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.52 -0.30 0.37 1.04 2.96 -1.26 -4.70 118.68 115.28 3dkh s LEU 161 Ca 0.32 0.99 -0.26 0.00 -0.22 0.00 0.00 54.13 54.96 3dkh s LEU 161 Cb 0.18 2.13 -0.09 0.00 0.50 0.00 0.00 46.19 48.90 3dkh s LEU 161 CO 0.26 -0.33 1.17 -2.16 -1.32 0.00 0.00 176.35 173.96 3dkh s PRO 162 N -0.22 4.19 0.10 0.98 0.04 -1.26 -4.78 135.00 134.06 3dkh s PRO 162 Ca -0.04 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 3dkh s PRO 162 Cb -0.03 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.73 3dkh s PRO 162 CO 0.03 -0.21 0.31 1.52 0.04 0.00 0.00 177.00 178.69 3dkh s TYR 163 N -1.36 -0.05 -0.26 0.56 -0.85 -1.18 -4.97 117.35 109.25 3dkh s TYR 163 Ca 0.54 -0.31 -0.16 0.00 -0.52 0.00 0.00 57.07 56.62 3dkh s TYR 163 Cb -0.31 0.11 -0.14 0.00 0.38 0.00 0.00 41.96 42.00 3dkh s TYR 163 CO 0.40 -0.62 -0.20 -0.25 -1.52 0.00 0.00 175.55 173.36 3dkh n ASP 164 N -0.10 1.93 -4.46 -0.18 8.00 0.18 -4.34 116.55 117.57 3dkh n ASP 164 Ca -0.16 0.37 -0.32 0.00 0.71 0.00 0.00 54.79 55.38 3dkh n ASP 164 Cb 0.63 -0.86 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.48 2.95 -0.43 0.53 1.01 -1.08 -4.89 121.20 116.82 3dkh s ILE 165 Ca -0.36 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.43 3dkh s ILE 165 Cb 0.12 -2.16 0.11 0.00 0.01 0.00 0.00 42.46 40.54 3dkh s ILE 165 CO 0.51 0.56 0.25 -0.62 0.00 0.00 0.00 174.94 175.65 3dkh s ASP 166 N -0.81 5.45 0.19 3.58 -1.08 -1.26 -0.36 116.67 122.39 3dkh s ASP 166 Ca 0.12 -1.89 0.19 0.00 -0.52 0.00 0.00 52.55 50.45 3dkh s ASP 166 Cb -0.11 -1.91 0.86 0.00 -1.46 0.00 0.00 42.92 40.30 3dkh s ASP 166 CO 0.01 -0.58 1.59 0.18 0.52 0.00 0.00 175.17 176.88 3dkh n LEU 167 N 4.75 0.45 0.00 -1.34 4.77 -0.63 -4.97 117.00 120.03 3dkh n LEU 167 Ca -0.06 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3dkh n LEU 167 Cb 0.41 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3dkh n LEU 167 CO 0.37 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 3dkh n GLY 168 N -0.40 -1.41 3.77 -0.72 0.00 -1.26 -4.95 105.19 100.22 3dkh n GLY 168 Ca 0.01 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 3.88 -0.51 1.61 -7.23 -1.26 -2.40 120.40 114.48 3dkh s VAL 169 Ca 0.00 1.69 0.07 0.00 -1.81 0.00 0.00 61.98 61.93 3dkh s VAL 169 Cb 0.00 -4.00 0.25 0.00 0.56 0.00 0.00 36.38 33.19 3dkh s VAL 169 CO 0.00 0.25 0.62 0.33 -0.31 0.00 0.00 175.10 175.99 3dkh n PHE 170 N 0.81 1.53 -2.16 2.82 7.35 0.85 -4.92 117.46 123.74 3dkh n PHE 170 Ca 0.01 -3.84 -0.43 0.00 -0.76 0.00 0.00 57.45 52.43 3dkh n PHE 170 Cb 0.48 -0.43 -0.02 0.00 0.35 0.00 0.00 39.48 39.85 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 -1.74 3.61 -0.26 -7.13 0.04 -1.26 -2.73 135.00 125.53 3dkh s PRO 171 Ca 0.37 1.38 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 3dkh s PRO 171 Cb 0.15 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 3dkh s PRO 171 CO -0.07 -1.52 0.16 0.42 0.04 0.00 0.00 177.00 176.03 3dkh s ILE 172 N 5.71 5.16 0.05 0.56 1.01 0.48 -1.47 121.20 132.70 3dkh s ILE 172 Ca 0.70 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.47 3dkh s ILE 172 Cb -0.21 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3dkh s ILE 172 CO 0.31 0.30 -0.05 0.28 0.00 0.00 0.00 174.94 175.79 3dkh s THR 173 N 1.43 0.35 0.47 2.92 -1.32 -0.54 -1.57 115.64 117.38 3dkh s THR 173 Ca 0.07 -1.52 -0.20 0.00 -1.21 0.00 0.00 61.69 58.83 3dkh s THR 173 Cb -0.15 -1.12 -0.09 0.00 -1.51 0.00 0.00 72.50 69.63 3dkh s THR 173 CO 0.07 -0.76 1.00 1.51 -2.21 0.00 0.00 174.62 174.23 3dkh s ASP 174 N -2.40 6.58 -0.10 8.08 1.47 -1.26 -0.87 116.67 128.16 3dkh s ASP 174 Ca 0.00 1.80 0.00 0.00 1.18 0.00 0.00 52.55 55.53 3dkh s ASP 174 Cb 0.00 -2.55 0.02 0.00 -0.34 0.00 0.00 42.92 40.06 3dkh s ASP 174 CO -0.05 -0.61 -0.09 -0.47 0.68 0.00 0.00 175.17 174.63 3dkh s TYR 175 N -2.13 1.50 -0.02 2.11 5.04 0.38 -4.78 117.35 119.45 3dkh s TYR 175 Ca 0.64 -0.71 0.06 0.00 -2.44 0.00 0.00 57.07 54.63 3dkh s TYR 175 Cb -0.13 -1.20 -0.02 0.00 0.35 0.00 0.00 41.96 40.95 3dkh s TYR 175 CO 0.18 -0.46 -0.20 0.71 -1.34 0.00 0.00 175.55 174.44 3dkh s TYR 176 N 1.46 2.50 0.14 4.97 1.51 -1.26 -1.62 117.35 125.05 3dkh s TYR 176 Ca 0.00 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 3dkh s TYR 176 Cb -0.13 -1.54 -0.10 0.00 -0.11 0.00 0.00 41.96 40.07 3dkh s TYR 176 CO -0.06 0.09 1.34 1.88 -1.11 0.00 0.00 175.55 177.70 3dkh h TYR 177 N 5.30 0.00 -3.44 2.71 0.05 -1.98 -3.44 116.97 116.16 3dkh h TYR 177 Ca -0.45 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 57.79 3dkh h TYR 177 Cb 1.14 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.84 3dkh h TYR 177 CO 0.45 0.92 0.09 1.03 -1.05 0.00 0.00 178.16 179.61 3dkh s ARG 178 N -2.87 4.37 0.84 4.88 1.81 -1.26 -4.30 118.95 122.41 3dkh s ARG 178 Ca 0.01 0.95 -0.10 0.00 -1.72 0.00 0.00 55.73 54.86 3dkh s ARG 178 Cb 0.10 -3.16 0.10 0.00 -0.45 0.00 0.00 34.95 31.54 3dkh s ARG 178 CO 0.81 0.55 1.11 0.00 -0.68 0.00 0.00 175.30 177.09 3dkh s ALA 179 N -1.23 1.87 0.20 2.13 0.00 -1.26 -4.86 121.76 118.62 3dkh s ALA 179 Ca 0.35 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 3dkh s ALA 179 Cb -0.20 -3.33 0.17 0.00 0.00 0.00 0.00 23.12 19.76 3dkh s ALA 179 CO 0.23 -2.20 1.84 0.00 0.00 0.00 0.00 175.76 175.63 3dkh h ALA 180 N -1.45 0.86 0.00 0.00 0.00 -1.87 -2.31 119.26 114.49 3dkh h ALA 180 Ca -0.44 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3dkh h ALA 180 Cb 1.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3dkh h ALA 180 CO 0.48 0.17 -0.25 -0.44 0.00 0.00 0.00 179.25 179.22 3dkh h ASP 181 N 0.81 0.00 0.92 0.00 3.32 -1.93 -0.27 116.42 119.26 3dkh h ASP 181 Ca 0.27 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.09 3dkh h ASP 181 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3dkh h ASP 181 CO -0.11 0.25 -1.07 0.44 -1.72 0.00 0.00 179.24 177.03 3dkh h ASP 182 N 0.00 0.07 1.06 6.45 3.32 -1.89 -2.81 116.42 122.62 3dkh h ASP 182 Ca -0.00 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.80 3dkh h ASP 182 Cb 0.63 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3dkh h ASP 182 CO 0.03 1.06 -0.83 -0.07 -1.72 0.00 0.00 179.24 177.71 3dkh h LEU 183 N 0.01 0.00 -0.29 1.55 3.38 -0.92 -0.90 115.31 118.13 3dkh h LEU 183 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 3dkh h LEU 183 Cb 1.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 3dkh h LEU 183 CO 0.14 0.83 -0.48 0.58 0.09 0.00 0.00 178.44 179.60 3dkh h VAL 184 N 0.00 1.28 -0.54 1.22 2.07 -1.09 -0.91 116.25 118.28 3dkh h VAL 184 Ca -0.01 -1.66 -0.09 0.00 0.82 0.00 0.00 66.70 65.76 3dkh h VAL 184 Cb 1.59 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3dkh h VAL 184 CO 0.11 0.54 -0.03 -0.74 0.02 0.00 0.00 177.57 177.47 3dkh h HIS 185 N 0.61 1.03 -0.05 1.57 -0.00 -1.43 -2.18 115.15 114.69 3dkh h HIS 185 Ca 0.02 -0.18 -0.02 0.00 -0.00 0.00 0.00 60.37 60.20 3dkh h HIS 185 Cb 1.08 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 3dkh h HIS 185 CO 0.07 0.94 -0.04 0.35 -0.00 0.00 0.00 177.93 179.25 3dkh h PHE 186 N 0.86 0.14 0.00 5.26 3.57 -1.05 -3.24 116.94 122.48 3dkh h PHE 186 Ca 0.15 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3dkh h PHE 186 Cb 0.55 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3dkh h PHE 186 CO 0.03 0.54 0.00 1.79 -2.23 0.00 0.00 178.31 178.44 3dkh h THR 187 N -0.29 0.00 -0.16 4.41 1.35 -1.11 0.90 112.91 118.02 3dkh h THR 187 Ca 0.01 -0.30 -0.04 0.00 -0.55 0.00 0.00 66.41 65.52 3dkh h THR 187 Cb 0.51 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 3dkh h THR 187 CO 0.01 0.00 -0.10 1.56 -0.25 0.00 0.00 175.52 176.74 3dkh h GLN 188 N 0.00 0.24 0.00 4.72 4.20 -1.41 -3.27 115.11 119.59 3dkh h GLN 188 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3dkh h GLN 188 Cb 0.32 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3dkh h GLN 188 CO 0.00 0.36 0.00 0.09 -0.67 0.00 0.00 178.83 178.61 3dkh n ASN 189 N -4.30 0.30 -4.24 1.46 3.02 -1.06 0.08 115.26 110.52 3dkh n ASN 189 Ca -0.01 -0.62 -0.14 0.00 -0.03 0.00 0.00 54.58 53.78 3dkh n ASN 189 Cb 0.25 0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.51 1.73 0.24 6.41 0.01 0.29 -4.89 114.94 118.22 3dkh s ASN 190 Ca 0.00 -0.97 -0.30 0.00 -0.71 0.00 0.00 52.86 50.89 3dkh s ASN 190 Cb 0.00 -0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.56 3dkh s ASN 190 CO 0.00 -0.31 1.24 0.00 -1.51 0.00 0.00 177.10 176.52 3dkh s ALA 191 N -3.12 3.48 0.18 0.60 0.00 -1.26 -4.11 121.76 117.53 3dkh s ALA 191 Ca 0.14 1.06 -0.33 0.00 0.00 0.00 0.00 51.96 52.84 3dkh s ALA 191 Cb 0.01 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.55 3dkh s ALA 191 CO 0.00 -0.45 1.37 -0.35 0.00 0.00 0.00 175.76 176.34 3dkh n PRO 192 N 1.92 1.71 -1.91 0.00 -0.04 -1.26 -4.88 135.00 130.54 3dkh n PRO 192 Ca 0.03 0.61 -0.29 0.00 -0.04 0.00 0.00 63.50 63.81 3dkh n PRO 192 Cb 0.43 -2.25 0.07 0.00 -0.04 0.00 0.00 33.50 31.71 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 0.02 2.34 0.61 0.54 0.04 -1.26 -5.06 135.00 132.23 3dkh s PRO 193 Ca 0.74 0.24 -0.14 0.00 0.04 0.00 0.00 61.00 61.89 3dkh s PRO 193 Cb -0.75 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 3dkh s PRO 193 CO 0.47 -1.35 1.04 -0.06 0.04 0.00 0.00 177.00 177.14 3dkh s PHE 194 N -3.48 3.22 0.50 0.56 0.40 -1.26 -4.87 117.98 113.05 3dkh s PHE 194 Ca 0.60 1.44 -0.20 0.00 -0.60 0.00 0.00 56.93 58.18 3dkh s PHE 194 Cb -0.11 -2.88 -0.08 0.00 0.51 0.00 0.00 43.02 40.46 3dkh s PHE 194 CO 0.50 -0.92 1.06 -1.54 0.70 0.00 0.00 175.22 175.02 3dkh s SER 195 N -3.33 6.20 0.27 1.36 1.04 -0.45 -4.73 113.70 114.06 3dkh s SER 195 Ca 0.60 1.98 0.10 0.00 0.48 0.00 0.00 55.95 59.10 3dkh s SER 195 Cb -0.13 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.78 3dkh s SER 195 CO 0.43 -0.88 1.62 0.44 0.98 0.00 0.00 173.24 175.83 3dkh h ASP 196 N 1.45 0.02 -5.31 7.02 3.32 -1.66 0.71 116.42 121.98 3dkh h ASP 196 Ca -0.50 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 56.70 3dkh h ASP 196 Cb 1.23 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 3dkh h ASP 196 CO 0.59 0.62 0.48 0.21 -1.72 0.00 0.00 179.24 179.42 3dkh s ASN 197 N -6.86 -0.12 -0.12 6.45 3.84 -0.91 -4.00 114.94 113.21 3dkh s ASN 197 Ca -0.02 -0.54 -0.01 0.00 0.21 0.00 0.00 52.86 52.51 3dkh s ASN 197 Cb 0.13 0.53 0.03 0.00 -0.55 0.00 0.00 41.25 41.39 3dkh s ASN 197 CO 0.76 -1.01 -0.04 -0.69 -2.79 0.00 0.00 177.10 173.34 3dkh s VAL 198 N -2.99 0.82 0.04 -5.21 1.01 -1.26 -0.47 120.40 112.33 3dkh s VAL 198 Ca 0.15 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 3dkh s VAL 198 Cb -0.02 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 3dkh s VAL 198 CO 0.04 0.21 0.72 -0.76 0.00 0.00 0.00 175.10 175.31 3dkh s LEU 199 N 1.78 4.45 -0.27 3.92 1.43 -0.05 -4.69 118.68 125.25 3dkh s LEU 199 Ca 0.03 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 3dkh s LEU 199 Cb -0.14 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 42.99 3dkh s LEU 199 CO -0.07 0.05 -0.09 -0.63 0.23 0.00 0.00 176.35 175.84 3dkh s ILE 200 N -0.16 2.33 -1.14 -0.59 1.01 -0.10 -1.47 121.20 121.08 3dkh s ILE 200 Ca 0.36 -1.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.39 3dkh s ILE 200 Cb -0.20 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.91 3dkh s ILE 200 CO 0.22 -0.04 0.97 -3.20 0.00 0.00 0.00 174.94 172.89 3dkh n ASN 201 N 4.47 -3.95 -0.51 3.58 5.15 -0.54 -2.88 115.26 120.58 3dkh n ASN 201 Ca -0.14 -0.52 -0.07 0.00 -0.60 0.00 0.00 54.58 53.26 3dkh n ASN 201 Cb 0.42 -4.58 -0.03 0.00 -0.53 0.00 0.00 39.78 35.06 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 -1.48 0.87 3.29 8.20 0.00 -1.26 -5.01 105.19 109.81 3dkh n GLY 202 Ca -0.13 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 3dkh n GLY 202 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dkh s THR 203 N -2.15 0.07 0.17 2.61 -1.32 -1.14 -4.78 115.64 109.10 3dkh s THR 203 Ca 0.00 -0.54 -0.24 0.00 -1.21 0.00 0.00 61.69 59.69 3dkh s THR 203 Cb 0.00 -0.94 0.06 0.00 -1.51 0.00 0.00 72.50 70.11 3dkh s THR 203 CO 0.00 -0.30 0.92 0.00 -2.21 0.00 0.00 174.62 173.03 3dkh s ALA 204 N -2.49 -1.59 -0.09 11.08 0.00 -1.09 -0.93 121.76 126.65 3dkh s ALA 204 Ca -0.05 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 3dkh s ALA 204 Cb -0.01 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3dkh s ALA 204 CO -0.03 -1.04 0.01 0.08 0.00 0.00 0.00 175.76 174.79 3dkh s VAL 205 N -3.38 4.38 -0.23 0.00 1.01 -1.25 -3.26 120.40 117.67 3dkh s VAL 205 Ca 0.12 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 3dkh s VAL 205 Cb -0.02 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3dkh s VAL 205 CO 0.03 0.60 1.10 0.21 0.00 0.00 0.00 175.10 177.04 3dkh s ASN 206 N -0.81 7.03 0.24 3.32 3.84 -0.70 -4.93 114.94 122.93 3dkh s ASN 206 Ca 0.12 1.41 0.20 0.00 0.21 0.00 0.00 52.86 54.80 3dkh s ASN 206 Cb -0.11 -2.54 0.94 0.00 -0.55 0.00 0.00 41.25 38.98 3dkh s ASN 206 CO 0.02 -0.73 1.60 -0.81 -2.79 0.00 0.00 177.10 174.40 3dkh n PRO 207 N 6.47 0.14 -0.13 0.43 -0.04 -1.26 -0.70 135.00 139.91 3dkh n PRO 207 Ca 0.13 0.51 -0.24 0.00 -0.04 0.00 0.00 63.50 63.86 3dkh n PRO 207 Cb 0.46 -1.84 -0.11 0.00 -0.04 0.00 0.00 33.50 31.96 3dkh n PRO 207 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dkh n ASN 208 N -2.12 1.97 -0.11 3.54 3.02 -1.26 -4.81 115.26 115.50 3dkh n ASN 208 Ca 0.00 0.09 -0.20 0.00 -0.03 0.00 0.00 54.58 54.45 3dkh n ASN 208 Cb 0.12 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 38.60 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 -3.73 1.51 0.00 3.41 -2.24 -1.20 -5.02 114.28 107.01 3dkh n THR 209 Ca -0.50 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3dkh n THR 209 Cb 0.94 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 1.43 0.79 3.78 3.38 0.00 0.13 -5.02 105.19 109.67 3dkh n GLY 210 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.45 3.75 0.00 1.61 2.02 -1.26 -4.65 118.70 119.73 3dkh s GLU 211 Ca 0.00 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.57 3dkh s GLU 211 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3dkh s GLU 211 CO 0.00 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.18 3dkh n GLY 212 N 0.19 -3.99 3.28 -1.39 0.00 -1.26 -1.72 105.19 100.30 3dkh n GLY 212 Ca 0.08 -2.10 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 3dkh n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dkh s GLN 213 N -0.86 1.13 0.41 1.61 -0.21 -1.20 -4.80 119.66 115.74 3dkh s GLN 213 Ca 0.00 -1.38 -0.11 0.00 0.02 0.00 0.00 55.36 53.89 3dkh s GLN 213 Cb 0.00 -0.95 -0.07 0.00 1.00 0.00 0.00 33.01 33.00 3dkh s GLN 213 CO 0.00 0.17 0.79 0.71 -2.12 0.00 0.00 175.29 174.83 3dkh s TYR 214 N -2.55 3.46 0.14 0.91 2.02 -1.26 -2.66 117.35 117.41 3dkh s TYR 214 Ca 0.14 1.09 -0.31 0.00 -0.37 0.00 0.00 57.07 57.63 3dkh s TYR 214 Cb -0.03 -2.48 -0.08 0.00 -0.40 0.00 0.00 41.96 38.98 3dkh s TYR 214 CO 0.04 -0.12 1.29 0.00 -1.57 0.00 0.00 175.55 175.19 3dkh s ALA 215 N -2.37 3.50 -0.34 3.71 0.00 -1.26 -4.82 121.76 120.17 3dkh s ALA 215 Ca 0.52 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 3dkh s ALA 215 Cb -0.10 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.62 3dkh s ALA 215 CO 0.31 -0.51 0.08 1.21 0.00 0.00 0.00 175.76 176.85 3dkh s ASN 216 N 0.73 5.03 -0.24 0.00 2.47 -1.26 -0.21 114.94 121.46 3dkh s ASN 216 Ca 0.59 -1.63 -0.09 0.00 0.42 0.00 0.00 52.86 52.15 3dkh s ASN 216 Cb -0.34 -1.75 -0.04 0.00 -1.45 0.00 0.00 41.25 37.66 3dkh s ASN 216 CO 0.33 -0.38 0.13 -0.69 -3.72 0.00 0.00 177.10 172.77 3dkh s VAL 217 N 1.19 5.04 -0.31 -5.21 1.01 -0.50 -4.98 120.40 116.64 3dkh s VAL 217 Ca 0.01 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 3dkh s VAL 217 Cb -0.21 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3dkh s VAL 217 CO -0.03 0.35 0.48 -0.89 0.00 0.00 0.00 175.10 175.01 3dkh s THR 218 N 1.14 5.07 -0.10 3.92 2.01 -1.26 -0.53 115.64 125.90 3dkh s THR 218 Ca 0.06 0.53 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 3dkh s THR 218 Cb -0.14 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 3dkh s THR 218 CO 0.05 -0.04 0.24 -0.76 -0.69 0.00 0.00 174.62 173.41 3dkh s LEU 219 N 2.28 4.37 -0.26 4.42 1.43 0.17 -4.95 118.68 126.14 3dkh s LEU 219 Ca 0.18 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 53.72 3dkh s LEU 219 Cb -0.16 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3dkh s LEU 219 CO 0.11 0.31 0.35 -0.89 0.23 0.00 0.00 176.35 176.46 3dkh s THR 220 N -0.64 5.20 -0.14 5.49 2.01 -1.26 -0.62 115.64 125.69 3dkh s THR 220 Ca 0.17 0.54 -0.37 0.00 0.31 0.00 0.00 61.69 62.34 3dkh s THR 220 Cb -0.13 -3.68 -0.14 0.00 0.01 0.00 0.00 72.50 68.56 3dkh s THR 220 CO 0.06 0.19 1.75 -2.65 -0.69 0.00 0.00 174.62 173.28 3dkh n PRO 221 N 5.12 1.64 -0.24 4.92 -0.02 -1.26 -2.38 135.00 142.79 3dkh n PRO 221 Ca -0.09 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3dkh n PRO 221 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3dkh n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkh n GLY 222 N 4.08 1.34 3.83 -1.23 0.00 -0.73 -5.05 105.19 107.43 3dkh n GLY 222 Ca 0.23 0.00 -0.33 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 -0.43 3.22 -0.34 1.61 -0.14 -1.00 -4.85 119.74 117.81 3dkh s LYS 223 Ca 0.00 -0.41 -0.24 0.00 -1.36 0.00 0.00 55.97 53.95 3dkh s LYS 223 Cb 0.00 -2.96 0.01 0.00 -1.68 0.00 0.00 37.83 33.20 3dkh s LYS 223 CO 0.00 0.66 0.84 1.03 -0.76 0.00 0.00 175.35 177.12 3dkh s ARG 224 N -1.79 3.87 -0.23 1.68 0.52 -1.26 -2.85 118.95 118.89 3dkh s ARG 224 Ca 0.24 0.53 -0.09 0.00 -0.52 0.00 0.00 55.73 55.89 3dkh s ARG 224 Cb -0.12 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 3dkh s ARG 224 CO 0.15 -0.81 0.12 -1.01 0.02 0.00 0.00 175.30 173.77 3dkh s HIS 225 N 3.17 3.24 -0.16 -0.53 3.76 -0.09 -0.65 115.29 124.02 3dkh s HIS 225 Ca 0.34 0.03 -0.23 0.00 -0.15 0.00 0.00 55.06 55.05 3dkh s HIS 225 Cb -0.13 -2.22 -0.02 0.00 1.11 0.00 0.00 32.58 31.32 3dkh s HIS 225 CO 0.15 -0.02 0.73 0.50 -0.85 0.00 0.00 174.74 175.25 3dkh s ARG 226 N 1.05 4.30 -0.13 1.40 3.52 0.52 -0.23 118.95 129.38 3dkh s ARG 226 Ca 0.06 0.84 0.03 0.00 -0.13 0.00 0.00 55.73 56.53 3dkh s ARG 226 Cb -0.14 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 3dkh s ARG 226 CO 0.04 -0.21 -0.21 -1.17 -0.81 0.00 0.00 175.30 172.94 3dkh s LEU 227 N 1.75 2.20 -0.83 -0.88 2.96 0.27 -1.61 118.68 122.54 3dkh s LEU 227 Ca 0.35 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 3dkh s LEU 227 Cb -0.17 -1.46 0.22 0.00 0.50 0.00 0.00 46.19 45.28 3dkh s LEU 227 CO 0.13 0.12 0.75 -0.13 -1.32 0.00 0.00 176.35 175.90 3dkh s ARG 228 N 0.61 3.49 0.01 1.98 0.52 -1.01 0.08 118.95 124.62 3dkh s ARG 228 Ca -0.11 -2.61 -0.29 0.00 -0.52 0.00 0.00 55.73 52.19 3dkh s ARG 228 Cb -0.16 -4.30 -0.03 0.00 0.52 0.00 0.00 34.95 30.97 3dkh s ARG 228 CO 0.03 -1.26 0.95 0.42 0.02 0.00 0.00 175.30 175.45 3dkh s ILE 229 N -0.12 4.85 0.06 1.52 1.01 0.01 -0.10 121.20 128.42 3dkh s ILE 229 Ca 0.20 2.00 0.05 0.00 0.00 0.00 0.00 60.65 62.90 3dkh s ILE 229 Cb -0.12 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 3dkh s ILE 229 CO -0.08 0.19 -0.14 -0.76 0.00 0.00 0.00 174.94 174.15 3dkh s LEU 230 N 0.87 2.25 -0.39 2.97 1.02 -1.10 -0.71 118.68 123.59 3dkh s LEU 230 Ca 0.50 -0.57 -0.01 0.00 0.02 0.00 0.00 54.13 54.07 3dkh s LEU 230 Cb -0.21 -0.54 0.11 0.00 0.02 0.00 0.00 46.19 45.57 3dkh s LEU 230 CO 0.27 -0.04 0.16 0.21 0.02 0.00 0.00 176.35 176.97 3dkh s ASN 231 N -1.57 5.14 -0.29 2.29 3.84 -0.58 -0.39 114.94 123.39 3dkh s ASN 231 Ca -0.01 -2.03 0.12 0.00 0.21 0.00 0.00 52.86 51.15 3dkh s ASN 231 Cb -0.09 -1.78 0.75 0.00 -0.55 0.00 0.00 41.25 39.57 3dkh s ASN 231 CO 0.02 -0.50 1.75 0.35 -2.79 0.00 0.00 177.10 175.93 3dkh n THR 232 N 4.52 2.83 -0.65 -5.21 -2.24 -0.61 -1.42 114.28 111.51 3dkh n THR 232 Ca -0.01 -1.64 -0.28 0.00 -2.27 0.00 0.00 64.05 59.84 3dkh n THR 232 Cb 0.42 -0.33 0.24 0.00 -2.10 0.00 0.00 70.33 68.56 3dkh n THR 232 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3dkh s SER 233 N -1.10 1.16 -0.10 3.42 0.01 -1.26 -4.82 113.70 111.00 3dkh s SER 233 Ca 0.54 1.44 0.16 0.00 1.31 0.00 0.00 55.95 59.40 3dkh s SER 233 Cb 0.43 -2.21 -0.24 0.00 0.21 0.00 0.00 66.02 64.20 3dkh s SER 233 CO 0.13 -4.08 0.22 0.35 0.41 0.00 0.00 173.24 170.27 3dkh n THR 234 N -4.83 0.60 0.00 1.44 -2.24 -1.26 -4.76 114.28 103.22 3dkh n THR 234 Ca 0.03 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3dkh n THR 234 Cb 0.55 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.38 0.00 -1.67 -0.78 0.00 -1.26 0.24 120.64 114.79 3dkh n GLU 235 Ca -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 57.16 56.53 3dkh n GLU 235 Cb 0.77 -0.09 -0.04 0.00 0.00 0.00 0.00 31.44 32.07 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 -2.21 3.04 -4.40 4.31 5.03 -1.26 -4.69 115.26 115.08 3dkh n ASN 236 Ca 0.00 1.07 -0.34 0.00 0.87 0.00 0.00 54.58 56.18 3dkh n ASN 236 Cb 0.00 -1.40 -0.13 0.00 -1.02 0.00 0.00 39.78 37.23 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 1.37 2.96 0.11 3.10 3.76 -1.01 -4.46 115.29 121.11 3dkh s HIS 237 Ca 0.81 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 55.16 3dkh s HIS 237 Cb -0.70 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.95 3dkh s HIS 237 CO 0.41 -0.27 0.12 -0.06 -0.85 0.00 0.00 174.74 174.09 3dkh s PHE 238 N 0.81 3.21 -0.17 1.40 0.08 -0.41 -4.83 117.98 118.07 3dkh s PHE 238 Ca -0.02 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.09 3dkh s PHE 238 Cb -0.15 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3dkh s PHE 238 CO 0.02 0.52 -0.16 -0.65 -0.10 0.00 0.00 175.22 174.85 3dkh s GLN 239 N -2.70 3.15 -0.01 0.44 -0.21 -0.96 0.43 119.66 119.79 3dkh s GLN 239 Ca 0.31 -0.77 0.07 0.00 0.02 0.00 0.00 55.36 54.98 3dkh s GLN 239 Cb -0.11 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.22 3dkh s GLN 239 CO 0.23 -0.10 -0.21 0.14 -2.12 0.00 0.00 175.29 173.23 3dkh s VAL 240 N 1.10 2.54 -0.06 1.09 -7.23 0.20 -1.02 120.40 117.03 3dkh s VAL 240 Ca 0.00 -1.03 -0.24 0.00 -1.81 0.00 0.00 61.98 58.90 3dkh s VAL 240 Cb -0.14 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.87 3dkh s VAL 240 CO -0.05 0.51 0.53 -0.94 -0.31 0.00 0.00 175.10 174.84 3dkh s SER 241 N -0.90 -0.48 -0.17 4.85 1.04 -0.88 -1.20 113.70 115.96 3dkh s SER 241 Ca 0.12 0.54 -0.01 0.00 0.48 0.00 0.00 55.95 57.08 3dkh s SER 241 Cb -0.10 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3dkh s SER 241 CO 0.01 -0.50 -0.11 -0.22 0.98 0.00 0.00 173.24 173.40 3dkh s LEU 242 N -1.06 2.68 0.13 2.42 2.96 -1.26 -0.02 118.68 124.53 3dkh s LEU 242 Ca -0.11 -0.40 -0.33 0.00 -0.22 0.00 0.00 54.13 53.08 3dkh s LEU 242 Cb -0.02 -1.63 -0.12 0.00 0.50 0.00 0.00 46.19 44.91 3dkh s LEU 242 CO 0.07 0.08 1.72 0.52 -1.32 0.00 0.00 176.35 177.42 3dkh n VAL 243 N 4.11 0.17 -0.92 1.68 0.31 -0.63 -2.32 118.33 120.73 3dkh n VAL 243 Ca -0.19 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3dkh n VAL 243 Cb 0.52 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 4.53 -3.47 -4.30 4.52 5.03 -1.26 -4.77 115.26 115.54 3dkh n ASN 244 Ca 0.18 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.46 3dkh n ASN 244 Cb 0.33 -2.05 -0.10 0.00 -1.02 0.00 0.00 39.78 36.94 3dkh n ASN 244 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3dkh s HIS 245 N -1.64 1.48 0.27 3.10 3.76 -0.98 -4.95 115.29 116.34 3dkh s HIS 245 Ca 0.00 -0.71 0.08 0.00 -0.15 0.00 0.00 55.06 54.28 3dkh s HIS 245 Cb 0.00 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 32.90 3dkh s HIS 245 CO 0.00 0.17 0.11 0.95 -0.85 0.00 0.00 174.74 175.12 3dkh s THR 246 N -3.21 3.84 -0.08 1.30 -4.23 -1.26 -4.51 115.64 107.48 3dkh s THR 246 Ca 0.21 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 3dkh s THR 246 Cb 0.02 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.75 3dkh s THR 246 CO 0.04 -0.34 -0.20 -0.04 -0.54 0.00 0.00 174.62 173.54 3dkh s MET 247 N -3.78 2.56 -0.42 3.99 -1.94 -0.11 -4.61 119.30 114.99 3dkh s MET 247 Ca 0.33 -0.73 -0.07 0.00 -1.71 0.00 0.00 55.69 53.51 3dkh s MET 247 Cb -0.07 -1.99 0.09 0.00 2.01 0.00 0.00 34.83 34.88 3dkh s MET 247 CO 0.23 0.15 0.25 0.99 -0.01 0.00 0.00 175.02 176.62 3dkh s THR 248 N 0.39 3.93 0.00 2.05 2.01 -0.80 -0.82 115.64 122.41 3dkh s THR 248 Ca -0.16 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 59.92 3dkh s THR 248 Cb -0.17 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 3dkh s THR 248 CO 0.07 -0.57 1.53 -0.69 -0.69 0.00 0.00 174.62 174.26 3dkh s VAL 249 N 1.34 3.51 -0.52 3.82 1.01 -0.35 -0.68 120.40 128.53 3dkh s VAL 249 Ca 0.04 0.85 0.07 0.00 0.00 0.00 0.00 61.98 62.93 3dkh s VAL 249 Cb -0.23 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3dkh s VAL 249 CO -0.00 -0.02 0.43 2.30 0.00 0.00 0.00 175.10 177.81 3dkh n ILE 250 N 4.90 0.00 -3.64 2.22 -5.35 0.22 -2.40 119.36 115.32 3dkh n ILE 250 Ca 0.15 -0.40 -0.08 0.00 -0.27 0.00 0.00 62.75 62.15 3dkh n ILE 250 Cb 0.43 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 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 -1.27 -1.87 -0.29 -1.28 0.00 -1.14 -1.29 121.76 114.61 3dkh s ALA 251 Ca 0.05 2.32 -0.06 0.00 0.00 0.00 0.00 51.96 54.27 3dkh s ALA 251 Cb 0.05 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.81 3dkh s ALA 251 CO 0.21 -0.37 0.05 0.00 0.00 0.00 0.00 175.76 175.65 3dkh s ALA 252 N 1.33 2.99 0.00 0.00 0.00 -0.45 -1.40 121.76 124.21 3dkh s ALA 252 Ca -0.08 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.41 3dkh s ALA 252 Cb -0.05 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3dkh s ALA 252 CO -0.15 -0.92 0.00 -0.25 0.00 0.00 0.00 175.76 174.44 3dkh n ASP 253 N 4.82 0.00 -1.67 0.00 8.00 -0.43 -1.90 116.55 125.36 3dkh n ASP 253 Ca -0.15 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.31 3dkh n ASP 253 Cb 0.48 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.85 3dkh n ASP 253 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3dkh n MET 254 N 13.95 3.14 -4.03 -1.24 1.56 -1.26 -4.19 117.12 125.06 3dkh n MET 254 Ca 0.00 -3.06 -0.33 0.00 -0.27 0.00 0.00 57.70 54.04 3dkh n MET 254 Cb 0.00 -2.08 -0.15 0.00 2.15 0.00 0.00 33.22 33.14 3dkh n MET 254 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3dkh s VAL 255 N -3.04 2.47 0.10 1.12 1.01 -0.80 -4.57 120.40 116.69 3dkh s VAL 255 Ca 0.51 -1.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 3dkh s VAL 255 Cb 0.42 -2.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 3dkh s VAL 255 CO 0.10 0.25 1.34 -2.84 0.00 0.00 0.00 175.10 173.95 3dkh s PRO 256 N 1.26 4.35 0.28 2.72 0.02 -1.26 -1.35 135.00 141.02 3dkh s PRO 256 Ca -0.01 1.99 0.10 0.00 0.02 0.00 0.00 61.00 63.11 3dkh s PRO 256 Cb -0.16 -3.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.04 3dkh s PRO 256 CO -0.07 -0.39 -0.03 0.14 -0.33 0.00 0.00 177.00 176.32 3dkh s VAL 257 N 1.09 3.13 0.31 3.83 -7.23 -0.41 -1.25 120.40 119.87 3dkh s VAL 257 Ca 0.63 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 3dkh s VAL 257 Cb -0.35 -2.73 -0.10 0.00 0.56 0.00 0.00 36.38 33.75 3dkh s VAL 257 CO 0.30 -0.35 1.33 0.20 -0.31 0.00 0.00 175.10 176.27 3dkh s ASN 258 N -3.65 6.76 -0.09 4.85 0.01 0.12 -4.45 114.94 118.48 3dkh s ASN 258 Ca 0.32 2.68 -0.40 0.00 -0.71 0.00 0.00 52.86 54.74 3dkh s ASN 258 Cb -0.05 -2.64 -0.18 0.00 0.41 0.00 0.00 41.25 38.78 3dkh s ASN 258 CO 0.19 -0.56 1.33 0.00 -1.51 0.00 0.00 177.10 176.55 3dkh n ALA 259 N 1.09 -2.01 -3.56 0.60 0.00 -1.26 -4.69 120.51 110.68 3dkh n ALA 259 Ca 0.01 0.53 -0.25 0.00 0.00 0.00 0.00 53.44 53.74 3dkh n ALA 259 Cb 0.42 -1.94 -0.15 0.00 0.00 0.00 0.00 19.45 17.77 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 1.11 0.13 -0.00 0.00 1.75 -1.01 -4.98 119.30 116.30 3dkh s MET 260 Ca 0.92 -0.13 -0.29 0.00 -1.25 0.00 0.00 55.69 54.94 3dkh s MET 260 Cb -1.19 -1.48 -0.03 0.00 2.84 0.00 0.00 34.83 34.97 3dkh s MET 260 CO 0.59 -0.77 0.95 0.99 -0.65 0.00 0.00 175.02 176.14 3dkh s THR 261 N 2.18 4.88 0.10 10.11 2.01 -1.26 -1.21 115.64 132.44 3dkh s THR 261 Ca 0.05 2.00 -0.01 0.00 0.31 0.00 0.00 61.69 64.04 3dkh s THR 261 Cb -0.16 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 3dkh s THR 261 CO -0.17 0.17 0.03 0.68 -0.69 0.00 0.00 174.62 174.64 3dkh s VAL 262 N 0.96 0.15 -0.10 3.82 -7.23 0.00 -4.99 120.40 113.01 3dkh s VAL 262 Ca 0.51 -1.83 0.10 0.00 -1.81 0.00 0.00 61.98 58.95 3dkh s VAL 262 Cb -0.21 -1.79 -0.24 0.00 0.56 0.00 0.00 36.38 34.70 3dkh s VAL 262 CO 0.27 -0.70 0.44 0.47 -0.31 0.00 0.00 175.10 175.27 3dkh n ASP 263 N -0.01 0.92 -3.93 4.85 8.00 -1.26 -0.94 116.55 124.18 3dkh n ASP 263 Ca -0.09 0.26 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 3dkh n ASP 263 Cb 0.62 0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.68 3dkh n ASP 263 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3dkh s SER 264 N -6.11 0.18 -0.03 -2.24 1.04 -1.26 -4.37 113.70 100.92 3dkh s SER 264 Ca -0.10 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.78 3dkh s SER 264 Cb 0.07 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3dkh s SER 264 CO 0.81 -0.54 -0.08 -0.76 0.98 0.00 0.00 173.24 173.64 3dkh s LEU 265 N -2.26 1.76 -0.12 2.42 1.43 -0.34 -4.96 118.68 116.61 3dkh s LEU 265 Ca -0.03 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 3dkh s LEU 265 Cb 0.00 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 3dkh s LEU 265 CO -0.06 0.06 0.43 0.12 0.23 0.00 0.00 176.35 177.13 3dkh s PHE 266 N 0.23 3.51 -0.25 0.29 5.36 -1.26 -0.63 117.98 125.23 3dkh s PHE 266 Ca -0.04 0.82 0.02 0.00 -0.96 0.00 0.00 56.93 56.77 3dkh s PHE 266 Cb -0.09 -2.49 0.06 0.00 -0.34 0.00 0.00 43.02 40.17 3dkh s PHE 266 CO 0.00 0.21 -0.06 -0.51 -1.46 0.00 0.00 175.22 173.40 3dkh s LEU 267 N 0.51 2.93 0.81 6.12 1.02 0.17 -4.77 118.68 125.47 3dkh s LEU 267 Ca 0.23 -1.30 -0.12 0.00 0.02 0.00 0.00 54.13 52.97 3dkh s LEU 267 Cb -0.15 -1.31 0.08 0.00 0.02 0.00 0.00 46.19 44.83 3dkh s LEU 267 CO 0.09 -0.23 1.13 0.00 0.02 0.00 0.00 176.35 177.35 3dkh s ALA 268 N 1.29 2.36 -0.12 4.21 0.00 -1.26 -1.29 121.76 126.94 3dkh s ALA 268 Ca -0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3dkh s ALA 268 Cb -0.19 -3.04 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 3dkh s ALA 268 CO -0.06 -1.73 2.12 0.28 0.00 0.00 0.00 175.76 176.37 3dkh n VAL 269 N -3.40 0.51 0.00 0.00 0.31 -1.26 -0.93 118.33 113.56 3dkh n VAL 269 Ca 0.07 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3dkh n VAL 269 Cb 0.58 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 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 5.30 0.30 3.81 2.92 0.00 -0.51 -4.80 105.19 112.21 3dkh n GLY 270 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.99 4.29 0.15 1.61 -0.21 -0.11 -4.86 119.66 119.55 3dkh s GLN 271 Ca 0.00 0.94 0.08 0.00 0.02 0.00 0.00 55.36 56.41 3dkh s GLN 271 Cb 0.00 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 3dkh s GLN 271 CO 0.00 0.35 -0.19 1.03 -2.12 0.00 0.00 175.29 174.36 3dkh s ARG 272 N -2.09 1.25 -0.17 2.91 3.00 -1.26 -1.52 118.95 121.07 3dkh s ARG 272 Ca 0.46 -1.37 -0.06 0.00 0.00 0.00 0.00 55.73 54.76 3dkh s ARG 272 Cb -0.16 -1.34 0.08 0.00 0.00 0.00 0.00 34.95 33.53 3dkh s ARG 272 CO 0.21 0.28 0.36 0.71 0.00 0.00 0.00 175.30 176.85 3dkh s TYR 273 N -1.91 -0.64 -0.36 -0.53 2.02 0.11 -1.32 117.35 114.72 3dkh s TYR 273 Ca 0.14 1.30 -0.17 0.00 -0.37 0.00 0.00 57.07 57.97 3dkh s TYR 273 Cb -0.06 0.17 -0.00 0.00 -0.40 0.00 0.00 41.96 41.67 3dkh s TYR 273 CO 0.06 -0.43 0.47 -0.51 -1.57 0.00 0.00 175.55 173.57 3dkh s ASP 274 N 2.49 6.26 0.18 2.29 1.11 -0.50 -0.81 116.67 127.69 3dkh s ASP 274 Ca -0.01 -0.19 0.09 0.00 0.18 0.00 0.00 52.55 52.63 3dkh s ASP 274 Cb -0.12 -2.25 -0.04 0.00 1.07 0.00 0.00 42.92 41.58 3dkh s ASP 274 CO -0.11 -0.47 -0.13 0.68 1.18 0.00 0.00 175.17 176.32 3dkh s VAL 275 N 2.28 3.03 -0.26 -1.27 -7.23 0.11 -0.61 120.40 116.45 3dkh s VAL 275 Ca 0.16 -1.71 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 3dkh s VAL 275 Cb -0.16 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.30 3dkh s VAL 275 CO 0.13 -0.10 0.02 -0.69 -0.31 0.00 0.00 175.10 174.15 3dkh s VAL 276 N -1.66 3.58 -0.24 1.32 1.01 0.15 0.96 120.40 125.51 3dkh s VAL 276 Ca 0.24 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 3dkh s VAL 276 Cb -0.09 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3dkh s VAL 276 CO 0.14 0.20 0.06 -0.63 0.00 0.00 0.00 175.10 174.88 3dkh s ILE 277 N 1.46 4.30 -0.19 2.22 1.01 0.68 -1.91 121.20 128.77 3dkh s ILE 277 Ca 0.03 -0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 3dkh s ILE 277 Cb -0.16 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3dkh s ILE 277 CO -0.00 0.35 0.54 -1.81 0.00 0.00 0.00 174.94 174.01 3dkh s ASP 278 N 1.53 6.61 -1.29 3.58 1.01 -1.26 -0.92 116.67 125.93 3dkh s ASP 278 Ca 0.06 0.73 -0.08 0.00 0.71 0.00 0.00 52.55 53.97 3dkh s ASP 278 Cb -0.15 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 3dkh s ASP 278 CO 0.03 -0.18 2.86 0.00 0.21 0.00 0.00 175.17 178.10 3dkh n ALA 279 N 4.68 7.16 -0.20 5.23 0.00 -1.13 -4.55 120.51 131.71 3dkh n ALA 279 Ca -0.04 -3.47 0.11 0.00 0.00 0.00 0.00 53.44 50.04 3dkh n ALA 279 Cb 0.50 -3.01 0.30 0.00 0.00 0.00 0.00 19.45 17.25 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 2.76 3.69 -4.92 0.00 3.41 -1.26 -1.78 113.62 115.53 3dkh n SER 280 Ca 0.68 -2.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.07 3dkh n SER 280 Cb 0.33 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3dkh n SER 280 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dkh s ARG 281 N -1.08 2.37 0.25 4.33 1.81 -1.26 -5.07 118.95 120.30 3dkh s ARG 281 Ca 0.46 -1.76 -0.31 0.00 -1.72 0.00 0.00 55.73 52.40 3dkh s ARG 281 Cb 0.24 -2.32 -0.12 0.00 -0.45 0.00 0.00 34.95 32.30 3dkh s ARG 281 CO 0.31 -0.51 1.62 0.00 -0.68 0.00 0.00 175.30 176.05 3dkh n ALA 282 N -1.78 2.43 -1.55 2.13 0.00 -1.26 -4.87 120.51 115.62 3dkh n ALA 282 Ca 0.04 0.39 -0.27 0.00 0.00 0.00 0.00 53.44 53.59 3dkh n ALA 282 Cb 0.63 -2.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 3dkh n ALA 282 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dkh n PRO 283 N 2.78 0.72 -2.78 0.00 -0.02 -1.26 -4.84 135.00 129.61 3dkh n PRO 283 Ca 0.12 -0.31 -0.07 0.00 -2.02 0.00 0.00 63.50 61.22 3dkh n PRO 283 Cb 0.35 -3.25 0.00 0.00 -0.02 0.00 0.00 33.50 30.58 3dkh n PRO 283 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3dkh n ASP 284 N 15.98 -1.15 -4.68 2.55 2.03 -1.26 -4.78 116.55 125.23 3dkh n ASP 284 Ca 0.45 -2.02 -0.36 0.00 0.52 0.00 0.00 54.79 53.38 3dkh n ASP 284 Cb 0.44 1.98 -0.09 0.00 -0.72 0.00 0.00 41.12 42.73 3dkh n ASP 284 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3dkh s ASN 285 N -2.25 6.09 0.04 1.67 0.01 -1.26 -2.98 114.94 116.26 3dkh s ASN 285 Ca 0.12 0.15 0.09 0.00 -0.71 0.00 0.00 52.86 52.51 3dkh s ASN 285 Cb -0.02 -2.08 -0.03 0.00 0.41 0.00 0.00 41.25 39.53 3dkh s ASN 285 CO 0.09 0.12 -0.25 -0.31 -1.51 0.00 0.00 177.10 175.24 3dkh s TYR 286 N 0.73 2.36 0.14 2.20 2.02 -0.66 -4.51 117.35 119.64 3dkh s TYR 286 Ca 0.07 -0.38 -0.27 0.00 -0.37 0.00 0.00 57.07 56.11 3dkh s TYR 286 Cb -0.12 -1.40 -0.07 0.00 -0.40 0.00 0.00 41.96 39.96 3dkh s TYR 286 CO 0.02 0.15 0.86 -1.58 -1.57 0.00 0.00 175.55 173.42 3dkh s TRP 287 N -0.83 3.86 -0.33 2.71 0.23 -1.26 -0.61 118.94 122.71 3dkh s TRP 287 Ca 0.12 1.70 -0.09 0.00 -2.03 0.00 0.00 56.10 55.81 3dkh s TRP 287 Cb -0.10 -2.90 0.02 0.00 0.03 0.00 0.00 33.47 30.52 3dkh s TRP 287 CO 0.03 0.37 0.14 0.12 0.96 0.00 0.00 176.95 178.57 3dkh s PHE 288 N -0.62 3.20 -0.13 -1.98 2.19 0.61 -1.60 117.98 119.65 3dkh s PHE 288 Ca 0.40 -0.96 -0.07 0.00 0.33 0.00 0.00 56.93 56.64 3dkh s PHE 288 Cb -0.23 -2.34 -0.04 0.00 -1.31 0.00 0.00 43.02 39.10 3dkh s PHE 288 CO 0.28 -0.60 0.10 -0.80 1.83 0.00 0.00 175.22 176.03 3dkh s ASN 289 N 1.52 6.04 -0.40 6.13 -0.87 0.97 -1.65 114.94 126.69 3dkh s ASN 289 Ca 0.02 0.32 -0.09 0.00 -1.57 0.00 0.00 52.86 51.53 3dkh s ASN 289 Cb -0.18 -1.95 0.06 0.00 -0.02 0.00 0.00 41.25 39.16 3dkh s ASN 289 CO 0.05 0.33 0.23 -0.69 -2.57 0.00 0.00 177.10 174.46 3dkh s VAL 290 N -0.59 4.26 0.36 1.60 1.01 -0.89 -2.07 120.40 124.09 3dkh s VAL 290 Ca 0.12 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.92 3dkh s VAL 290 Cb -0.12 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3dkh s VAL 290 CO 0.02 -0.42 0.18 0.42 0.00 0.00 0.00 175.10 175.30 3dkh s THR 291 N 1.45 2.86 -0.18 3.92 -4.23 -0.19 -4.29 115.64 114.98 3dkh s THR 291 Ca 0.02 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3dkh s THR 291 Cb -0.22 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.66 3dkh s THR 291 CO 0.03 -0.13 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.50 3dkh s PHE 292 N -2.46 2.30 0.52 3.99 0.08 -1.26 -2.26 117.98 118.88 3dkh s PHE 292 Ca 0.40 -1.42 0.04 0.00 0.12 0.00 0.00 56.93 56.06 3dkh s PHE 292 Cb -0.01 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3dkh s PHE 292 CO 0.23 -0.71 0.21 0.20 -0.10 0.00 0.00 175.22 175.05 3dkh s GLY 293 N 1.44 2.66 0.00 4.36 0.00 -1.26 -4.75 107.32 109.77 3dkh s GLY 293 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3dkh s GLY 293 CO -0.09 -2.05 0.00 0.61 0.00 0.00 0.00 173.10 171.56 3dkh n GLY 294 N -1.50 0.41 3.88 0.20 0.00 -1.26 -4.27 105.19 102.65 3dkh n GLY 294 Ca -0.09 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 3dkh n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkh n GLN 295 N -1.80 -0.62 -2.67 1.61 0.00 -1.26 -0.98 117.38 111.67 3dkh n GLN 295 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 57.00 56.69 3dkh n GLN 295 Cb 0.29 -1.26 -0.00 0.00 0.00 0.00 0.00 30.24 29.27 3dkh n GLN 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dkh n ALA 296 N -3.37 -0.82 0.04 2.61 0.00 -1.26 -4.84 120.51 112.87 3dkh n ALA 296 Ca -0.09 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 3dkh n ALA 296 Cb 0.35 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 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 1.00 0.56 -0.70 0.00 0.00 -1.33 -3.35 119.26 115.44 3dkh h ALA 297 Ca -0.39 -1.00 -0.48 0.00 0.00 0.00 0.00 54.91 53.04 3dkh h ALA 297 Cb 1.28 0.09 -0.42 0.00 0.00 0.00 0.00 17.79 18.74 3dkh h ALA 297 CO 0.45 1.22 -0.89 0.00 0.00 0.00 0.00 179.25 180.04 3dkh n GLY 299 N -0.67 1.34 3.90 0.00 0.00 -1.26 -2.42 105.19 106.08 3dkh n GLY 299 Ca 0.35 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.03 0.01 -0.02 0.00 -1.26 -4.29 107.32 101.73 3dkh s GLY 300 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 3dkh s GLY 300 CO 0.00 3.44 0.04 -0.45 0.00 0.00 0.00 173.10 176.13 3dkh s SER 301 N -3.52 0.14 0.13 1.64 0.15 -1.26 -1.34 113.70 109.64 3dkh s SER 301 Ca 0.24 -0.35 0.24 0.00 0.70 0.00 0.00 55.95 56.78 3dkh s SER 301 Cb -0.01 0.15 0.92 0.00 -1.71 0.00 0.00 66.02 65.36 3dkh s SER 301 CO 0.02 -0.32 1.73 0.18 1.20 0.00 0.00 173.24 176.05 3dkh n LEU 302 N 1.61 0.40 -4.55 3.45 4.77 0.25 -4.32 117.00 118.61 3dkh n LEU 302 Ca -0.23 0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 3dkh n LEU 302 Cb 0.55 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 3dkh n LEU 302 CO 0.21 -0.26 0.37 0.21 -1.33 0.00 0.00 177.39 176.59 3dkh s ASN 303 N -3.76 6.38 0.36 -1.43 3.84 -1.26 -4.94 114.94 114.13 3dkh s ASN 303 Ca 0.09 -0.04 0.08 0.00 0.21 0.00 0.00 52.86 53.20 3dkh s ASN 303 Cb 0.12 -2.32 0.69 0.00 -0.55 0.00 0.00 41.25 39.19 3dkh s ASN 303 CO 0.45 -0.66 1.86 1.55 -2.79 0.00 0.00 177.10 177.52 3dkh h PRO 304 N 8.62 0.26 -2.37 0.43 0.13 -1.97 -3.38 132.00 133.72 3dkh h PRO 304 Ca -0.26 -0.07 -0.59 0.00 -0.87 0.00 0.00 66.00 64.21 3dkh h PRO 304 Cb 1.11 -0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.81 3dkh h PRO 304 CO 0.85 0.45 -0.88 0.72 -0.23 0.00 0.00 178.00 178.91 3dkh n HIS 305 N -4.21 0.73 -2.38 1.56 8.25 -1.26 -5.03 115.22 112.88 3dkh n HIS 305 Ca -0.01 -3.70 -0.42 0.00 -0.26 0.00 0.00 57.72 53.33 3dkh n HIS 305 Cb 0.32 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.98 4.36 0.14 -0.41 0.02 -1.26 -4.99 135.00 131.87 3dkh s PRO 306 Ca 0.33 1.79 -0.12 0.00 0.02 0.00 0.00 61.00 63.02 3dkh s PRO 306 Cb 0.08 -3.47 0.01 0.00 0.02 0.00 0.00 34.50 31.14 3dkh s PRO 306 CO -0.14 -0.41 0.32 0.00 -0.33 0.00 0.00 177.00 176.45 3dkh s ALA 307 N 1.79 -0.47 0.15 -1.55 0.00 -1.26 -2.09 121.76 118.34 3dkh s ALA 307 Ca 0.59 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.16 3dkh s ALA 307 Cb -0.28 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 3dkh s ALA 307 CO 0.26 -0.63 -0.18 0.00 0.00 0.00 0.00 175.76 175.21 3dkh s ALA 308 N -3.88 1.92 -0.18 0.00 0.00 -0.66 -4.39 121.76 114.58 3dkh s ALA 308 Ca 0.08 -1.45 -0.07 0.00 0.00 0.00 0.00 51.96 50.52 3dkh s ALA 308 Cb 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3dkh s ALA 308 CO -0.07 0.23 0.06 0.42 0.00 0.00 0.00 175.76 176.40 3dkh s ILE 309 N -2.00 4.81 -0.46 0.00 1.01 0.71 -0.28 121.20 124.99 3dkh s ILE 309 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 3dkh s ILE 309 Cb -0.06 -3.16 0.12 0.00 0.01 0.00 0.00 42.46 39.37 3dkh s ILE 309 CO 0.06 0.47 0.30 -0.36 0.00 0.00 0.00 174.94 175.41 3dkh s PHE 310 N 0.26 3.50 -0.11 3.97 0.40 0.22 -1.41 117.98 124.82 3dkh s PHE 310 Ca 0.04 -2.16 -0.20 0.00 -0.60 0.00 0.00 56.93 54.01 3dkh s PHE 310 Cb -0.12 -3.37 -0.04 0.00 0.51 0.00 0.00 43.02 40.00 3dkh s PHE 310 CO 0.00 -0.98 0.55 -1.58 0.70 0.00 0.00 175.22 173.92 3dkh s HIS 311 N 1.17 3.53 -0.07 0.36 5.65 0.32 -1.65 115.29 124.59 3dkh s HIS 311 Ca 0.08 1.00 -0.24 0.00 0.25 0.00 0.00 55.06 56.15 3dkh s HIS 311 Cb -0.24 -2.64 -0.03 0.00 -1.18 0.00 0.00 32.58 28.48 3dkh s HIS 311 CO -0.03 0.13 0.74 0.71 -0.65 0.00 0.00 174.74 175.64 3dkh s TYR 312 N 0.74 3.57 0.13 3.88 1.51 -1.16 0.45 117.35 126.47 3dkh s TYR 312 Ca 0.30 1.29 -0.31 0.00 -1.01 0.00 0.00 57.07 57.34 3dkh s TYR 312 Cb -0.16 -2.86 -0.10 0.00 -0.11 0.00 0.00 41.96 38.73 3dkh s TYR 312 CO 0.13 0.04 1.82 0.00 -1.11 0.00 0.00 175.55 176.43 3dkh s ALA 313 N 0.96 3.77 0.00 3.71 0.00 0.21 -2.00 121.76 128.41 3dkh s ALA 313 Ca 0.39 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.80 3dkh s ALA 313 Cb -0.18 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3dkh s ALA 313 CO 0.19 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3dkh n GLY 314 N 4.22 0.17 3.92 0.00 0.00 -1.26 -4.73 105.19 107.51 3dkh n GLY 314 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 3.50 0.83 4.61 0.00 -0.85 -5.07 121.76 122.79 3dkh s ALA 315 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 3dkh s ALA 315 Cb 0.00 -2.42 0.09 0.00 0.00 0.00 0.00 23.12 20.79 3dkh s ALA 315 CO 0.00 -0.32 1.10 -2.14 0.00 0.00 0.00 175.76 174.41 3dkh s PRO 316 N -4.64 1.73 0.00 0.00 0.02 -1.26 -4.96 135.00 125.88 3dkh s PRO 316 Ca 0.46 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.70 3dkh s PRO 316 Cb -0.10 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.59 3dkh s PRO 316 CO 0.42 -2.03 0.00 0.41 -0.33 0.00 0.00 177.00 175.47 3dkh n GLY 317 N -0.77 -0.01 6.60 0.52 0.00 -1.26 -4.75 105.19 105.52 3dkh n GLY 317 Ca 0.09 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 4.79 -2.11 3.86 -0.02 0.00 -1.26 -4.93 105.19 105.51 3dkh n GLY 318 Ca 0.00 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 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 4.19 0.33 0.99 1.43 -1.26 -4.99 118.68 119.37 3dkh s LEU 319 Ca 0.00 1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.86 3dkh s LEU 319 Cb 0.00 -3.67 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 3dkh s LEU 319 CO 0.00 -0.06 1.38 -2.84 0.23 0.00 0.00 176.35 175.06 3dkh s PRO 320 N -2.64 4.28 0.12 1.29 0.02 -1.26 -4.96 135.00 131.85 3dkh s PRO 320 Ca 0.47 2.32 0.17 0.00 0.02 0.00 0.00 61.00 63.98 3dkh s PRO 320 Cb -0.12 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.27 3dkh s PRO 320 CO 0.20 -0.32 0.98 1.79 -0.33 0.00 0.00 177.00 179.32 3dkh h THR 321 N 3.10 0.51 -3.56 0.99 1.35 -1.97 -3.45 112.91 109.89 3dkh h THR 321 Ca -0.49 -1.93 -0.66 0.00 -0.55 0.00 0.00 66.41 62.79 3dkh h THR 321 Cb 1.23 2.05 -0.15 0.00 -1.73 0.00 0.00 68.15 69.55 3dkh h THR 321 CO 0.67 0.29 0.14 -0.62 -0.25 0.00 0.00 175.52 175.75 3dkh s ASP 322 N -5.88 6.32 0.41 5.36 2.15 -1.26 -4.92 116.67 118.85 3dkh s ASP 322 Ca -0.01 -0.38 0.19 0.00 0.43 0.00 0.00 52.55 52.78 3dkh s ASP 322 Cb 0.08 -2.32 0.89 0.00 -0.30 0.00 0.00 42.92 41.27 3dkh s ASP 322 CO 0.79 -0.80 1.85 -0.33 -0.17 0.00 0.00 175.17 176.51 3dkh h GLU 323 N 8.90 0.00 0.00 4.34 5.08 -2.01 -3.42 114.58 127.47 3dkh h GLU 323 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3dkh h GLU 323 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3dkh h GLU 323 CO 0.90 0.31 0.00 0.41 -1.00 0.00 0.00 179.01 179.63 3dkh n GLY 324 N -0.20 -1.01 3.70 -3.84 0.00 -1.26 -4.94 105.19 97.64 3dkh n GLY 324 Ca -0.01 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.10 4.93 0.19 2.61 -4.23 -1.26 -5.08 115.64 111.71 3dkh s THR 325 Ca 0.00 0.01 -0.32 0.00 -1.18 0.00 0.00 61.69 60.20 3dkh s THR 325 Cb 0.00 -3.19 -0.11 0.00 1.34 0.00 0.00 72.50 70.54 3dkh s THR 325 CO 0.00 0.52 1.65 -2.16 -0.54 0.00 0.00 174.62 174.08 3dkh s PRO 326 N -0.13 4.17 0.95 3.99 0.04 -1.26 -4.99 135.00 137.77 3dkh s PRO 326 Ca 0.08 2.50 -0.12 0.00 0.04 0.00 0.00 61.00 63.50 3dkh s PRO 326 Cb -0.12 -3.11 0.16 0.00 0.04 0.00 0.00 34.50 31.48 3dkh s PRO 326 CO 0.01 -0.68 1.09 -1.25 0.04 0.00 0.00 177.00 176.21 3dkh s PRO 327 N 1.05 0.78 0.42 0.56 0.04 -1.26 -5.00 135.00 131.60 3dkh s PRO 327 Ca 0.72 0.79 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 3dkh s PRO 327 Cb -0.47 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 3dkh s PRO 327 CO 0.33 -2.56 1.40 1.33 0.04 0.00 0.00 177.00 177.53 3dkh n VAL 328 N -4.10 2.54 -2.32 -0.36 0.24 -1.26 -4.93 118.33 108.14 3dkh n VAL 328 Ca 0.06 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 3dkh n VAL 328 Cb 0.55 -1.79 -0.02 0.00 -1.47 0.00 0.00 33.84 31.11 3dkh n VAL 328 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dkh s ASP 329 N -0.40 6.36 0.00 -1.34 -1.08 -1.26 -4.87 116.67 114.08 3dkh s ASP 329 Ca 0.59 0.98 0.27 0.00 -0.52 0.00 0.00 52.55 53.86 3dkh s ASP 329 Cb -0.47 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 39.70 3dkh s ASP 329 CO 0.59 -1.38 1.89 1.41 0.52 0.00 0.00 175.17 178.20 3dkh n HIS 330 N 8.70 0.00 -3.94 -5.34 8.25 -1.26 -4.92 115.22 116.71 3dkh n HIS 330 Ca 0.17 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.34 3dkh n HIS 330 Cb 0.47 -0.39 0.01 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.39 -4.69 -3.04 -0.41 1.13 -1.26 -2.28 117.38 105.44 3dkh n GLN 331 Ca 0.10 0.54 -0.22 0.00 -1.94 0.00 0.00 57.00 55.47 3dkh n GLN 331 Cb 0.26 -5.23 0.02 0.00 0.11 0.00 0.00 30.24 25.40 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 -6.53 1.69 0.31 0.00 1.43 -0.97 -4.91 118.68 109.70 3dkh s LEU 333 Ca 0.29 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.92 3dkh s LEU 333 Cb -0.14 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.26 3dkh s LEU 333 CO 0.36 0.05 0.84 1.51 0.23 0.00 0.00 176.35 179.34 3dkh s ASP 334 N 0.47 7.10 0.16 2.29 -4.77 -1.26 -4.81 116.67 115.85 3dkh s ASP 334 Ca -0.10 1.59 -0.31 0.00 -3.30 0.00 0.00 52.55 50.44 3dkh s ASP 334 Cb -0.13 -2.49 -0.09 0.00 -1.09 0.00 0.00 42.92 39.12 3dkh s ASP 334 CO 0.02 -0.10 1.39 0.28 0.70 0.00 0.00 175.17 177.46 3dkh s THR 335 N -1.73 3.11 -1.35 2.11 -1.32 -1.26 -4.92 115.64 110.28 3dkh s THR 335 Ca 0.50 0.84 0.19 0.00 -1.21 0.00 0.00 61.69 62.02 3dkh s THR 335 Cb -0.15 -3.54 0.65 0.00 -1.51 0.00 0.00 72.50 67.95 3dkh s THR 335 CO 0.20 0.09 1.56 0.18 -2.21 0.00 0.00 174.62 174.44 3dkh n LEU 336 N 3.35 4.29 0.17 9.08 4.77 -1.26 -4.38 117.00 133.01 3dkh n LEU 336 Ca 0.10 -2.28 0.13 0.00 -0.03 0.00 0.00 56.01 53.93 3dkh n LEU 336 Cb 0.42 -0.51 0.34 0.00 -2.33 0.00 0.00 43.42 41.33 3dkh n LEU 336 CO 0.59 0.86 0.86 0.44 -1.33 0.00 0.00 177.39 178.81 3dkh h ASP 337 N 3.86 0.00 -2.71 -1.43 3.32 -2.02 -3.43 116.42 114.01 3dkh h ASP 337 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3dkh h ASP 337 Cb 1.23 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.82 3dkh h ASP 337 CO 0.13 0.00 0.97 0.68 -1.72 0.00 0.00 179.24 179.31 3dkh s VAL 338 N -3.20 2.49 -0.23 -1.35 -7.23 -1.26 -5.02 120.40 104.61 3dkh s VAL 338 Ca 0.08 0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.53 3dkh s VAL 338 Cb 0.09 -3.17 0.05 0.00 0.56 0.00 0.00 36.38 33.91 3dkh s VAL 338 CO 0.61 0.01 -0.13 -0.13 -0.31 0.00 0.00 175.10 175.15 3dkh s ARG 339 N 1.63 2.39 0.62 4.82 1.81 -1.26 -3.71 118.95 125.25 3dkh s ARG 339 Ca 0.74 -1.10 -0.18 0.00 -1.72 0.00 0.00 55.73 53.47 3dkh s ARG 339 Cb -0.45 -2.70 -0.04 0.00 -0.45 0.00 0.00 34.95 31.30 3dkh s ARG 339 CO 0.32 -0.44 0.90 -2.30 -0.68 0.00 0.00 175.30 173.10 3dkh n PRO 340 N 4.54 0.77 0.05 3.54 -0.02 -1.26 -0.70 135.00 141.92 3dkh n PRO 340 Ca -0.16 0.31 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 3dkh n PRO 340 Cb 0.45 -2.11 -0.09 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.32 1.09 -3.51 -1.45 2.07 -1.48 -3.40 116.25 109.90 3dkh h VAL 341 Ca -0.48 -0.93 -0.59 0.00 0.82 0.00 0.00 66.70 65.52 3dkh h VAL 341 Cb 1.37 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 3dkh h VAL 341 CO 0.50 0.22 0.59 -0.69 0.02 0.00 0.00 177.57 178.20 3dkh s VAL 342 N -4.34 4.58 0.65 2.57 1.01 -1.26 -5.01 120.40 118.59 3dkh s VAL 342 Ca -0.15 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 3dkh s VAL 342 Cb 0.02 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3dkh s VAL 342 CO 0.61 -0.56 1.04 -2.16 0.00 0.00 0.00 175.10 174.03 3dkh s PRO 343 N 3.48 3.25 -0.00 2.72 0.04 -1.26 -5.10 135.00 138.12 3dkh s PRO 343 Ca 0.38 0.56 -0.00 0.00 0.04 0.00 0.00 61.00 61.97 3dkh s PRO 343 Cb -0.12 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 3dkh s PRO 343 CO 0.19 -0.75 0.01 1.03 0.04 0.00 0.00 177.00 177.51 3dkh s ARG 344 N -5.22 0.02 -0.06 4.56 1.81 -1.26 -5.05 118.95 113.75 3dkh s ARG 344 Ca 0.56 -0.02 0.03 0.00 -1.72 0.00 0.00 55.73 54.58 3dkh s ARG 344 Cb -0.11 0.01 0.00 0.00 -0.45 0.00 0.00 34.95 34.40 3dkh s ARG 344 CO 0.52 -0.00 -0.16 -1.12 -0.68 0.00 0.00 175.30 173.86 3dkh s SER 345 N -0.06 2.12 0.00 0.23 0.01 -1.26 -2.25 113.70 112.49 3dkh s SER 345 Ca -0.01 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.90 3dkh s SER 345 Cb -0.01 -0.81 -0.00 0.00 0.21 0.00 0.00 66.02 65.41 3dkh s SER 345 CO -0.00 0.10 -0.02 0.68 0.41 0.00 0.00 173.24 174.41 3dkh s VAL 346 N 0.34 0.14 -0.08 3.43 -7.23 -0.56 -5.06 120.40 111.39 3dkh s VAL 346 Ca -0.11 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 3dkh s VAL 346 Cb -0.14 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 3dkh s VAL 346 CO 0.04 -0.05 1.20 -2.84 -0.31 0.00 0.00 175.10 173.14 3dkh s PRO 347 N -0.28 4.33 -0.01 4.82 0.02 -1.26 -4.39 135.00 138.22 3dkh s PRO 347 Ca -0.02 1.65 0.16 0.00 0.02 0.00 0.00 61.00 62.81 3dkh s PRO 347 Cb -0.02 -3.60 -0.21 0.00 0.02 0.00 0.00 34.50 30.70 3dkh s PRO 347 CO -0.00 -0.49 0.54 1.33 -0.33 0.00 0.00 177.00 178.04 3dkh n VAL 348 N 4.76 0.00 0.17 3.83 0.24 -1.26 -4.48 118.33 121.58 3dkh n VAL 348 Ca 0.11 -0.23 0.03 0.00 -2.04 0.00 0.00 64.34 62.21 3dkh n VAL 348 Cb 0.46 0.62 0.24 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.34 -1.34 -1.07 -1.90 -3.19 115.58 108.42 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 0.53 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.78 3dkh h ASN 349 CO 0.00 0.47 -0.01 -1.20 0.07 0.00 0.00 177.43 176.76 3dkh n SER 350 N -3.51 0.08 -4.70 6.14 7.64 -1.26 -4.90 113.62 113.10 3dkh n SER 350 Ca -0.00 -0.51 -0.42 0.00 1.01 0.00 0.00 58.87 58.95 3dkh n SER 350 Cb 0.58 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 3dkh n SER 350 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3dkh s PHE 351 N -2.35 2.96 -0.07 1.43 5.36 -1.21 -5.03 117.98 119.07 3dkh s PHE 351 Ca 0.35 0.79 0.02 0.00 -0.96 0.00 0.00 56.93 57.13 3dkh s PHE 351 Cb 0.21 -3.73 0.01 0.00 -0.34 0.00 0.00 43.02 39.17 3dkh s PHE 351 CO 0.43 -2.69 -0.12 0.08 -1.46 0.00 0.00 175.22 171.47 3dkh s VAL 352 N 1.83 1.11 -0.59 3.12 1.01 -1.26 -5.09 120.40 120.52 3dkh s VAL 352 Ca 0.66 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 3dkh s VAL 352 Cb -0.36 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3dkh s VAL 352 CO 0.29 0.35 1.45 -0.75 0.00 0.00 0.00 175.10 176.44 3dkh s LYS 353 N 0.71 3.21 0.13 2.72 2.20 -1.26 -4.99 119.74 122.45 3dkh s LYS 353 Ca -0.14 0.37 0.11 0.00 -0.36 0.00 0.00 55.97 55.95 3dkh s LYS 353 Cb -0.16 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.96 3dkh s LYS 353 CO 0.03 -2.06 -0.26 1.03 -0.36 0.00 0.00 175.35 173.73 3dkh s ARG 354 N 5.72 1.39 0.52 4.03 0.52 -1.26 -5.05 118.95 124.82 3dkh s ARG 354 Ca 0.51 -1.35 0.26 0.00 -0.52 0.00 0.00 55.73 54.63 3dkh s ARG 354 Cb -0.11 -1.86 1.37 0.00 0.52 0.00 0.00 34.95 34.87 3dkh s ARG 354 CO 0.23 0.44 1.96 -1.35 0.02 0.00 0.00 175.30 176.60 3dkh h PRO 355 N 3.84 0.05 -0.01 3.54 0.11 -1.94 -1.82 132.00 135.77 3dkh h PRO 355 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dkh h PRO 355 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dkh h PRO 355 CO 0.40 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.82 3dkh n ASP 356 N -4.37 0.18 0.00 -2.05 5.75 -1.26 -3.00 116.55 111.81 3dkh n ASP 356 Ca 0.12 -1.14 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 3dkh n ASP 356 Cb 0.68 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 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 -0.82 0.58 -4.61 -1.12 0.23 -0.73 -5.04 115.26 103.76 3dkh n ASN 357 Ca 0.22 -0.86 -0.36 0.00 -0.53 0.00 0.00 54.58 53.05 3dkh n ASN 357 Cb 0.13 0.17 -0.10 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.17 5.00 -0.51 5.53 2.01 -0.93 -0.91 115.64 125.66 3dkh s THR 358 Ca 0.00 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.07 3dkh s THR 358 Cb 0.00 -3.32 0.13 0.00 0.01 0.00 0.00 72.50 69.33 3dkh s THR 358 CO 0.00 0.37 0.27 -0.76 -0.69 0.00 0.00 174.62 173.81 3dkh s LEU 359 N 1.05 4.69 -0.16 4.42 1.43 0.88 -4.93 118.68 126.06 3dkh s LEU 359 Ca 0.06 -2.78 -0.29 0.00 -1.03 0.00 0.00 54.13 50.08 3dkh s LEU 359 Cb -0.14 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3dkh s LEU 359 CO 0.04 -0.31 1.09 -2.84 0.23 0.00 0.00 176.35 174.55 3dkh s PRO 360 N 0.04 4.32 -0.19 1.29 0.02 -1.26 -1.81 135.00 137.40 3dkh s PRO 360 Ca 0.15 1.46 -0.16 0.00 0.02 0.00 0.00 61.00 62.47 3dkh s PRO 360 Cb -0.23 -3.62 -0.04 0.00 0.02 0.00 0.00 34.50 30.63 3dkh s PRO 360 CO -0.02 -0.52 0.41 0.08 -0.33 0.00 0.00 177.00 176.61 3dkh s VAL 361 N 2.76 5.20 0.02 3.83 1.01 0.47 -0.56 120.40 133.13 3dkh s VAL 361 Ca 0.49 0.75 0.01 0.00 0.00 0.00 0.00 61.98 63.23 3dkh s VAL 361 Cb -0.18 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3dkh s VAL 361 CO 0.13 0.27 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 3dkh s ALA 362 N 1.17 0.32 -0.25 5.51 0.00 0.11 -0.79 121.76 127.83 3dkh s ALA 362 Ca 0.20 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 3dkh s ALA 362 Cb -0.15 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3dkh s ALA 362 CO 0.08 -0.04 0.11 -1.17 0.00 0.00 0.00 175.76 174.73 3dkh s LEU 363 N -1.08 3.70 -0.21 0.00 2.96 -1.26 0.35 118.68 123.13 3dkh s LEU 363 Ca -0.09 -0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.59 3dkh s LEU 363 Cb -0.07 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3dkh s LEU 363 CO -0.00 -0.00 0.34 -0.62 -1.32 0.00 0.00 176.35 174.74 3dkh s ASP 364 N 1.44 6.36 0.00 3.68 -1.08 -0.29 -4.95 116.67 121.83 3dkh s ASP 364 Ca 0.06 0.41 0.04 0.00 -0.52 0.00 0.00 52.55 52.55 3dkh s ASP 364 Cb -0.15 -2.20 0.11 0.00 -1.46 0.00 0.00 42.92 39.22 3dkh s ASP 364 CO 0.05 -0.04 1.02 0.18 0.52 0.00 0.00 175.17 176.91 3dkh n LEU 365 N 4.41 2.20 0.01 -1.34 4.77 -1.26 -3.49 117.00 122.31 3dkh n LEU 365 Ca -0.10 -1.83 -0.05 0.00 -0.03 0.00 0.00 56.01 53.99 3dkh n LEU 365 Cb 0.51 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 3dkh n LEU 365 CO 0.39 0.54 -0.31 0.71 -1.33 0.00 0.00 177.39 177.39 3dkh h THR 366 N 0.82 0.88 -3.05 -5.08 1.35 -1.91 -3.48 112.91 102.44 3dkh h THR 366 Ca 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 3dkh h THR 366 Cb 0.52 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3dkh h THR 366 CO 0.00 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 3dkh n GLY 367 N 1.46 1.54 3.14 5.82 0.00 -1.26 -5.10 105.19 110.80 3dkh n GLY 367 Ca -0.11 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 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 1.42 1.98 0.97 2.61 -4.23 -1.26 -4.06 115.64 113.07 3dkh s THR 368 Ca 0.00 -0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 59.45 3dkh s THR 368 Cb 0.00 -1.77 0.17 0.00 1.34 0.00 0.00 72.50 72.24 3dkh s THR 368 CO 0.00 0.53 1.15 -2.16 -0.54 0.00 0.00 174.62 173.60 3dkh s PRO 369 N 0.98 0.64 0.07 3.99 0.04 -1.26 -5.10 135.00 134.36 3dkh s PRO 369 Ca -0.04 0.17 -0.23 0.00 0.04 0.00 0.00 61.00 60.94 3dkh s PRO 369 Cb -0.15 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 3dkh s PRO 369 CO -0.05 -2.51 1.62 1.25 0.04 0.00 0.00 177.00 177.35 3dkh h LEU 370 N -1.72 0.09 -8.04 -3.56 5.85 -1.66 -3.39 115.31 102.88 3dkh h LEU 370 Ca -0.49 -0.14 -0.72 0.00 0.84 0.00 0.00 57.88 57.36 3dkh h LEU 370 Cb 1.31 -0.02 -0.21 0.00 0.37 0.00 0.00 40.66 42.11 3dkh h LEU 370 CO 0.54 0.21 0.26 -0.36 -0.34 0.00 0.00 178.44 178.76 3dkh s PHE 371 N -5.63 3.21 -0.18 1.25 0.08 0.11 -4.16 117.98 112.66 3dkh s PHE 371 Ca -0.14 -1.30 0.01 0.00 0.12 0.00 0.00 56.93 55.62 3dkh s PHE 371 Cb 0.06 -4.03 0.03 0.00 -0.57 0.00 0.00 43.02 38.52 3dkh s PHE 371 CO 0.68 -1.26 -0.12 0.08 -0.10 0.00 0.00 175.22 174.49 3dkh s VAL 372 N 2.08 1.68 -0.25 -0.44 1.01 -1.23 -4.77 120.40 118.48 3dkh s VAL 372 Ca 0.17 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 3dkh s VAL 372 Cb -0.17 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3dkh s VAL 372 CO -0.01 0.28 0.45 0.26 0.00 0.00 0.00 175.10 176.09 3dkh s TRP 373 N 1.40 3.28 -0.08 5.22 0.52 -0.77 -1.13 118.94 127.38 3dkh s TRP 373 Ca 0.01 0.56 0.02 0.00 0.02 0.00 0.00 56.10 56.72 3dkh s TRP 373 Cb -0.15 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.51 3dkh s TRP 373 CO -0.09 -0.21 -0.15 0.15 0.02 0.00 0.00 176.95 176.66 3dkh s LYS 374 N 2.05 2.83 -0.24 4.98 1.02 0.15 -3.18 119.74 127.35 3dkh s LYS 374 Ca 0.19 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.48 3dkh s LYS 374 Cb -0.16 -2.45 0.04 0.00 -0.52 0.00 0.00 37.83 34.75 3dkh s LYS 374 CO 0.09 0.45 -0.11 0.08 -0.92 0.00 0.00 175.35 174.94 3dkh s VAL 375 N -0.28 2.32 -0.89 3.17 1.01 -0.07 0.06 120.40 125.71 3dkh s VAL 375 Ca 0.02 -1.36 -0.05 0.00 0.00 0.00 0.00 61.98 60.58 3dkh s VAL 375 Cb -0.13 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3dkh s VAL 375 CO 0.03 0.13 0.78 -3.20 0.00 0.00 0.00 175.10 172.84 3dkh n ASN 376 N 4.53 -4.53 -0.01 3.32 5.15 0.27 -3.10 115.26 120.89 3dkh n ASN 376 Ca -0.16 -0.37 -0.00 0.00 -0.60 0.00 0.00 54.58 53.45 3dkh n ASN 376 Cb 0.45 -3.55 -0.00 0.00 -0.53 0.00 0.00 39.78 36.15 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 -1.45 0.46 2.90 8.20 0.00 -1.26 -5.02 105.19 109.00 3dkh n GLY 377 Ca -0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.05 -0.08 -0.20 1.61 0.15 -1.18 -5.05 113.70 106.90 3dkh s SER 378 Ca 0.00 0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.71 3dkh s SER 378 Cb 0.00 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 3dkh s SER 378 CO 0.00 -0.14 0.53 1.51 1.20 0.00 0.00 173.24 176.34 3dkh s ASP 379 N 1.08 6.57 0.49 5.45 -4.77 -1.26 -0.89 116.67 123.34 3dkh s ASP 379 Ca -0.09 0.69 -0.24 0.00 -3.30 0.00 0.00 52.55 49.62 3dkh s ASP 379 Cb -0.11 -2.30 -0.07 0.00 -1.09 0.00 0.00 42.92 39.35 3dkh s ASP 379 CO -0.05 -0.19 1.39 -0.51 0.70 0.00 0.00 175.17 176.51 3dkh s ILE 380 N 1.65 2.12 -0.35 2.11 2.07 -0.79 -4.82 121.20 123.18 3dkh s ILE 380 Ca 0.24 0.10 0.06 0.00 -1.41 0.00 0.00 60.65 59.64 3dkh s ILE 380 Cb -0.15 -3.06 0.18 0.00 0.13 0.00 0.00 42.46 39.56 3dkh s ILE 380 CO 0.10 0.01 0.53 0.21 -1.91 0.00 0.00 174.94 173.88 3dkh s ASN 381 N -0.72 -0.71 0.52 4.50 3.84 0.50 -4.51 114.94 118.36 3dkh s ASN 381 Ca 0.65 -0.65 -0.18 0.00 0.21 0.00 0.00 52.86 52.90 3dkh s ASN 381 Cb -0.42 1.56 -0.07 0.00 -0.55 0.00 0.00 41.25 41.78 3dkh s ASN 381 CO 0.52 -0.25 1.01 0.68 -2.79 0.00 0.00 177.10 176.27 3dkh s VAL 382 N 2.11 4.12 -0.42 -5.21 -7.23 -0.87 -4.25 120.40 108.64 3dkh s VAL 382 Ca 0.14 1.12 -0.14 0.00 -1.81 0.00 0.00 61.98 61.29 3dkh s VAL 382 Cb -0.09 -3.54 0.04 0.00 0.56 0.00 0.00 36.38 33.35 3dkh s VAL 382 CO -0.15 -0.48 0.31 -0.62 -0.31 0.00 0.00 175.10 173.85 3dkh s ASP 383 N -2.60 6.02 0.49 4.85 -1.08 -1.26 -4.81 116.67 118.28 3dkh s ASP 383 Ca 0.63 -1.08 0.18 0.00 -0.52 0.00 0.00 52.55 51.75 3dkh s ASP 383 Cb -0.13 -2.13 1.19 0.00 -1.46 0.00 0.00 42.92 40.39 3dkh s ASP 383 CO 0.28 -0.50 2.06 -0.50 0.52 0.00 0.00 175.17 177.03 3dkh h TRP 384 N 8.62 0.00 0.00 -5.34 6.55 -1.90 -2.65 115.95 121.22 3dkh h TRP 384 Ca -0.27 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 59.36 3dkh h TRP 384 Cb 1.11 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.38 3dkh h TRP 384 CO 0.58 0.12 -1.15 0.78 -1.05 0.00 0.00 178.44 177.72 3dkh h GLY 385 N 0.41 0.00 -6.60 1.49 0.00 -1.95 -3.39 103.07 93.03 3dkh h GLY 385 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3dkh h GLY 385 CO 0.02 0.00 -0.86 1.25 0.00 0.00 0.00 176.54 176.95 3dkh s LYS 386 N -2.74 0.74 0.95 4.80 2.20 -1.01 -4.96 119.74 119.72 3dkh s LYS 386 Ca -0.00 -1.61 -0.12 0.00 -0.36 0.00 0.00 55.97 53.88 3dkh s LYS 386 Cb 0.09 -1.49 0.16 0.00 -1.51 0.00 0.00 37.83 35.08 3dkh s LYS 386 CO 0.81 -1.24 1.09 -2.14 -0.36 0.00 0.00 175.35 173.51 3dkh s PRO 387 N 0.73 0.84 0.37 4.03 0.02 -1.15 -4.44 135.00 135.40 3dkh s PRO 387 Ca 0.21 0.73 0.06 0.00 0.02 0.00 0.00 61.00 62.03 3dkh s PRO 387 Cb -0.17 -1.77 0.73 0.00 0.02 0.00 0.00 34.50 33.31 3dkh s PRO 387 CO -0.04 -2.51 1.95 0.82 -0.33 0.00 0.00 177.00 176.89 3dkh h ILE 388 N -1.74 1.16 0.00 2.83 1.08 -1.49 -1.86 117.51 117.49 3dkh h ILE 388 Ca -0.52 -0.57 -0.04 0.00 -0.39 0.00 0.00 64.86 63.34 3dkh h ILE 388 Cb 1.30 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 3dkh h ILE 388 CO 0.55 0.20 -0.18 0.40 -0.69 0.00 0.00 178.15 178.43 3dkh h ILE 389 N 0.47 0.74 -0.25 -0.67 1.08 -1.79 -1.72 117.51 115.36 3dkh h ILE 389 Ca 0.11 -0.73 -0.14 0.00 -0.39 0.00 0.00 64.86 63.71 3dkh h ILE 389 Cb 0.20 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 3dkh h ILE 389 CO -0.00 0.18 -0.42 -0.78 -0.69 0.00 0.00 178.15 176.43 3dkh h ASP 390 N 0.00 0.64 -0.14 1.72 3.58 -1.64 -0.49 116.42 120.09 3dkh h ASP 390 Ca -0.00 -0.29 -0.09 0.00 0.42 0.00 0.00 57.03 57.06 3dkh h ASP 390 Cb 0.43 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3dkh h ASP 390 CO 0.02 0.98 -0.21 1.88 -2.88 0.00 0.00 179.24 179.04 3dkh h TYR 391 N 0.49 0.62 -0.19 0.28 -1.99 -1.32 -1.67 116.97 113.19 3dkh h TYR 391 Ca 0.04 -0.12 -0.09 0.00 2.00 0.00 0.00 58.73 60.56 3dkh h TYR 391 Cb 0.94 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.51 3dkh h TYR 391 CO 0.04 0.73 -0.23 0.82 -0.00 0.00 0.00 178.16 179.52 3dkh h ILE 392 N 0.50 1.34 0.00 -2.88 1.08 -1.04 0.13 117.51 116.63 3dkh h ILE 392 Ca 0.08 -1.42 -0.03 0.00 -0.39 0.00 0.00 64.86 63.10 3dkh h ILE 392 Cb 0.63 1.81 -0.00 0.00 -3.07 0.00 0.00 36.82 36.19 3dkh h ILE 392 CO 0.05 0.43 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.72 3dkh h LEU 393 N 0.15 0.00 -1.89 1.44 3.38 -0.95 -3.09 115.31 114.34 3dkh h LEU 393 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dkh h LEU 393 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3dkh h LEU 393 CO 0.05 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.08 3dkh n THR 394 N -3.24 0.07 -1.99 0.22 -2.24 -0.64 -4.98 114.28 101.48 3dkh n THR 394 Ca 0.01 -0.53 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 3dkh n THR 394 Cb 0.44 1.38 -0.02 0.00 -2.10 0.00 0.00 70.33 70.03 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 1.22 0.26 3.57 3.38 0.00 -0.94 -5.01 105.19 107.67 3dkh n GLY 395 Ca 0.13 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.57 6.15 0.00 1.61 3.84 0.40 -4.96 114.94 119.42 3dkh s ASN 396 Ca 0.00 -0.06 0.22 0.00 0.21 0.00 0.00 52.86 53.23 3dkh s ASN 396 Cb 0.00 -2.18 0.29 0.00 -0.55 0.00 0.00 41.25 38.81 3dkh s ASN 396 CO 0.00 -0.23 1.28 0.35 -2.79 0.00 0.00 177.10 175.71 3dkh n THR 397 N 5.16 0.28 -2.06 -5.21 -2.24 -1.26 -4.40 114.28 104.54 3dkh n THR 397 Ca -0.10 -0.64 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 3dkh n THR 397 Cb 0.50 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 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 1.30 4.53 -4.73 3.42 7.64 -1.26 -4.96 113.62 119.56 3dkh n SER 398 Ca 0.16 -2.99 -0.41 0.00 1.01 0.00 0.00 58.87 56.64 3dkh n SER 398 Cb 0.56 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.17 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 1.68 3.42 0.70 1.43 2.02 -1.26 -5.01 117.35 120.32 3dkh s TYR 399 Ca 0.43 1.39 -0.15 0.00 -0.37 0.00 0.00 57.07 58.37 3dkh s TYR 399 Cb 0.12 -3.44 0.02 0.00 -0.40 0.00 0.00 41.96 38.26 3dkh s TYR 399 CO -0.04 -1.28 1.17 -2.14 -1.57 0.00 0.00 175.55 171.70 3dkh s PRO 400 N -0.05 2.39 0.24 -1.71 0.02 -1.26 -4.95 135.00 129.67 3dkh s PRO 400 Ca 0.54 1.63 -0.07 0.00 0.02 0.00 0.00 61.00 63.12 3dkh s PRO 400 Cb -0.33 -1.88 0.25 0.00 0.02 0.00 0.00 34.50 32.57 3dkh s PRO 400 CO 0.36 -1.62 1.90 0.28 -0.33 0.00 0.00 177.00 177.59 3dkh h VAL 401 N -0.15 1.19 0.00 3.83 2.07 -1.98 -2.56 116.25 118.64 3dkh h VAL 401 Ca -0.47 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3dkh h VAL 401 Cb 1.28 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3dkh h VAL 401 CO 0.51 0.22 0.00 0.28 0.02 0.00 0.00 177.57 178.60 3dkh h SER 402 N 1.18 0.00 0.95 0.57 0.02 -1.88 -2.53 113.55 111.86 3dkh h SER 402 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3dkh h SER 402 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3dkh h SER 402 CO -0.10 0.00 -0.05 0.47 -1.14 0.00 0.00 176.83 176.01 3dkh n ASP 403 N -2.40 0.05 -3.95 3.07 8.00 -0.96 -0.37 116.55 119.98 3dkh n ASP 403 Ca 0.00 0.42 -0.33 0.00 0.71 0.00 0.00 54.79 55.59 3dkh n ASP 403 Cb 0.16 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.50 -2.49 -4.63 -2.24 4.13 -0.95 -4.23 115.26 103.35 3dkh n ASN 404 Ca 0.07 -1.12 -0.43 0.00 1.68 0.00 0.00 54.58 54.78 3dkh n ASN 404 Cb 0.34 -2.63 -0.02 0.00 -1.54 0.00 0.00 39.78 35.93 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 -3.78 4.31 -0.63 2.41 -1.09 -1.26 -0.05 121.20 121.13 3dkh s ILE 405 Ca 0.26 1.48 -0.05 0.00 -2.23 0.00 0.00 60.65 60.11 3dkh s ILE 405 Cb -0.11 -4.34 0.16 0.00 -1.58 0.00 0.00 42.46 36.58 3dkh s ILE 405 CO 0.92 -0.56 0.46 -0.69 -1.23 0.00 0.00 174.94 173.84 3dkh s VAL 406 N 4.07 4.00 -0.18 2.92 1.01 0.09 -4.96 120.40 127.36 3dkh s VAL 406 Ca 0.50 -2.73 -0.29 0.00 0.00 0.00 0.00 61.98 59.46 3dkh s VAL 406 Cb -0.13 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 3dkh s VAL 406 CO 0.21 -0.88 1.31 -1.58 0.00 0.00 0.00 175.10 174.16 3dkh s GLN 407 N 0.17 4.16 -0.38 2.72 0.74 -1.26 -2.45 119.66 123.36 3dkh s GLN 407 Ca 0.16 1.63 -0.05 0.00 0.05 0.00 0.00 55.36 57.14 3dkh s GLN 407 Cb -0.19 -3.81 0.08 0.00 1.10 0.00 0.00 33.01 30.19 3dkh s GLN 407 CO -0.04 -0.81 0.17 0.08 -0.55 0.00 0.00 175.29 174.14 3dkh s VAL 408 N 3.75 3.55 -0.66 1.34 1.01 -0.87 -4.96 120.40 123.57 3dkh s VAL 408 Ca 0.57 -1.63 0.25 0.00 0.00 0.00 0.00 61.98 61.17 3dkh s VAL 408 Cb -0.22 -3.23 0.21 0.00 0.00 0.00 0.00 36.38 33.14 3dkh s VAL 408 CO 0.17 -0.46 1.59 0.44 0.00 0.00 0.00 175.10 176.85 3dkh h ASP 409 N 8.16 0.00 -1.90 3.32 3.32 -1.95 -1.58 116.42 125.80 3dkh h ASP 409 Ca -0.19 -0.06 -0.65 0.00 0.02 0.00 0.00 57.03 56.15 3dkh h ASP 409 Cb 1.06 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.65 3dkh h ASP 409 CO 0.67 0.03 0.88 0.00 -1.72 0.00 0.00 179.24 179.10 3dkh n ALA 410 N -1.85 0.40 -2.53 3.45 0.00 -1.26 -4.79 120.51 113.94 3dkh n ALA 410 Ca 0.04 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.44 3dkh n ALA 410 Cb 0.45 -2.33 -0.09 0.00 0.00 0.00 0.00 19.45 17.48 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 2.66 5.13 -1.44 0.00 1.01 -1.26 -4.54 120.40 121.96 3dkh s VAL 411 Ca 0.90 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 3dkh s VAL 411 Cb -0.83 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 31.55 3dkh s VAL 411 CO 0.51 -0.43 0.57 -0.67 0.00 0.00 0.00 175.10 175.08 3dkh n ASP 412 N 5.49 -5.11 -4.43 3.32 2.03 -0.85 -5.00 116.55 112.00 3dkh n ASP 412 Ca -0.09 -0.33 -0.26 0.00 0.52 0.00 0.00 54.79 54.63 3dkh n ASP 412 Cb 0.47 -4.15 -0.11 0.00 -0.72 0.00 0.00 41.12 36.60 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 -5.85 1.55 0.08 -0.67 -1.52 -1.26 -4.74 119.66 107.25 3dkh s GLN 413 Ca 0.35 -1.58 -0.31 0.00 -1.95 0.00 0.00 55.36 51.87 3dkh s GLN 413 Cb -0.17 -1.81 -0.06 0.00 -0.22 0.00 0.00 33.01 30.75 3dkh s GLN 413 CO 0.43 0.38 1.26 -1.58 -0.25 0.00 0.00 175.29 175.54 3dkh s TRP 414 N -1.88 3.37 -0.11 0.91 0.52 -1.26 -1.79 118.94 118.70 3dkh s TRP 414 Ca 0.23 1.18 0.03 0.00 0.02 0.00 0.00 56.10 57.55 3dkh s TRP 414 Cb -0.07 -3.51 -0.00 0.00 -1.15 0.00 0.00 33.47 28.74 3dkh s TRP 414 CO 0.11 -1.66 -0.21 0.95 0.02 0.00 0.00 176.95 176.16 3dkh s THR 415 N 1.09 2.30 -0.17 2.01 -4.23 -0.68 -4.97 115.64 110.99 3dkh s THR 415 Ca 0.61 -0.93 -0.08 0.00 -1.18 0.00 0.00 61.69 60.11 3dkh s THR 415 Cb -0.32 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 3dkh s THR 415 CO 0.29 0.55 0.11 -0.31 -0.54 0.00 0.00 174.62 174.72 3dkh s TYR 416 N 0.42 3.40 -0.09 3.99 1.51 -1.26 -2.12 117.35 123.20 3dkh s TYR 416 Ca -0.15 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 3dkh s TYR 416 Cb -0.17 -2.07 0.02 0.00 -0.11 0.00 0.00 41.96 39.63 3dkh s TYR 416 CO 0.07 0.37 -0.07 -1.58 -1.11 0.00 0.00 175.55 173.22 3dkh s TRP 417 N -0.01 1.30 -0.33 2.71 0.52 -0.04 -4.79 118.94 118.30 3dkh s TRP 417 Ca 0.09 -0.58 -0.13 0.00 0.02 0.00 0.00 56.10 55.50 3dkh s TRP 417 Cb -0.12 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.09 3dkh s TRP 417 CO 0.00 -0.41 0.23 -1.17 0.02 0.00 0.00 176.95 175.62 3dkh s LEU 418 N 1.46 4.43 -0.27 2.99 2.96 -0.09 -0.75 118.68 129.42 3dkh s LEU 418 Ca -0.00 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 3dkh s LEU 418 Cb -0.13 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3dkh s LEU 418 CO -0.05 -0.20 0.11 -0.63 -1.32 0.00 0.00 176.35 174.27 3dkh s ILE 419 N 1.73 4.59 -0.11 6.68 1.09 0.83 -0.08 121.20 135.93 3dkh s ILE 419 Ca 0.06 -0.15 -0.08 0.00 -1.10 0.00 0.00 60.65 59.38 3dkh s ILE 419 Cb -0.17 -3.20 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 3dkh s ILE 419 CO 0.11 0.26 0.18 -1.61 -0.10 0.00 0.00 174.94 173.77 3dkh s GLU 420 N 1.65 3.60 -1.02 2.79 2.02 -0.75 -0.40 118.70 126.58 3dkh s GLU 420 Ca 0.06 -0.06 -0.04 0.00 0.02 0.00 0.00 54.97 54.95 3dkh s GLU 420 Cb -0.16 -3.22 0.29 0.00 0.10 0.00 0.00 34.13 31.14 3dkh s GLU 420 CO 0.06 0.71 1.27 -1.71 0.02 0.00 0.00 175.26 175.61 3dkh n ASN 421 N 2.16 5.78 -3.93 -0.19 2.85 0.10 -0.40 115.26 121.64 3dkh n ASN 421 Ca -0.19 -3.32 -0.36 0.00 -0.11 0.00 0.00 54.58 50.60 3dkh n ASN 421 Cb 0.54 -1.21 0.01 0.00 1.24 0.00 0.00 39.78 40.37 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 1.61 -4.55 0.02 1.20 -0.08 0.03 -3.35 116.55 111.42 3dkh n ASP 422 Ca 0.26 -1.13 -0.01 0.00 -1.51 0.00 0.00 54.79 52.39 3dkh n ASP 422 Cb 0.35 -1.81 0.26 0.00 2.34 0.00 0.00 41.12 42.26 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 -1.60 0.48 -0.41 -0.67 0.11 -1.85 -3.08 132.00 124.99 3dkh h PRO 423 Ca -0.67 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.30 3dkh h PRO 423 Cb 1.40 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3dkh h PRO 423 CO 0.45 0.61 0.00 0.39 -0.21 0.00 0.00 178.00 179.24 3dkh n GLU 424 N -4.20 2.22 -2.33 1.05 -0.58 -1.26 -4.95 120.64 110.58 3dkh n GLU 424 Ca 0.00 -1.87 -0.25 0.00 -0.42 0.00 0.00 57.16 54.62 3dkh n GLU 424 Cb 0.32 -1.45 0.05 0.00 -0.57 0.00 0.00 31.44 29.80 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 -1.30 1.68 0.16 0.62 0.00 -1.17 -5.02 107.32 102.29 3dkh s GLY 425 Ca 0.36 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 44.02 3dkh s GLY 425 CO 0.28 -0.56 1.81 -0.56 0.00 0.00 0.00 173.10 174.07 3dkh h PRO 426 N -0.36 0.60 -3.89 2.90 0.13 -1.93 -3.45 132.00 125.99 3dkh h PRO 426 Ca -0.44 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 3dkh h PRO 426 Cb 1.29 -0.13 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 3dkh h PRO 426 CO 0.59 0.41 -0.43 -0.59 -0.23 0.00 0.00 178.00 177.76 3dkh s PHE 427 N -6.10 0.23 -0.02 1.56 -0.71 -1.26 -5.13 117.98 106.54 3dkh s PHE 427 Ca -0.13 -0.68 -0.01 0.00 -1.04 0.00 0.00 56.93 55.07 3dkh s PHE 427 Cb 0.11 -0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.81 3dkh s PHE 427 CO 0.73 -0.51 0.03 0.45 -1.34 0.00 0.00 175.22 174.58 3dkh s SER 428 N -2.87 -0.01 0.13 1.98 0.15 -1.26 -4.97 113.70 106.85 3dkh s SER 428 Ca 0.05 0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.84 3dkh s SER 428 Cb 0.05 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 3dkh s SER 428 CO -0.11 -0.05 -0.06 -0.76 1.20 0.00 0.00 173.24 173.47 3dkh s LEU 429 N 0.35 3.17 0.37 3.45 1.43 -1.26 -4.54 118.68 121.66 3dkh s LEU 429 Ca -0.03 -0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 3dkh s LEU 429 Cb -0.04 -1.90 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 3dkh s LEU 429 CO -0.01 0.14 1.20 -2.84 0.23 0.00 0.00 176.35 175.07 3dkh s PRO 430 N -2.53 4.18 -0.14 1.29 0.02 -1.26 -4.33 135.00 132.22 3dkh s PRO 430 Ca 0.24 1.94 -0.00 0.00 0.02 0.00 0.00 61.00 63.21 3dkh s PRO 430 Cb -0.10 -2.83 0.03 0.00 0.02 0.00 0.00 34.50 31.61 3dkh s PRO 430 CO 0.16 -0.24 -0.09 -1.01 -0.33 0.00 0.00 177.00 175.49 3dkh s HIS 431 N -1.31 1.79 -0.92 6.54 3.76 0.03 -4.94 115.29 120.24 3dkh s HIS 431 Ca 0.54 -1.02 -0.24 0.00 -0.15 0.00 0.00 55.06 54.18 3dkh s HIS 431 Cb -0.33 -1.38 0.02 0.00 1.11 0.00 0.00 32.58 32.00 3dkh s HIS 431 CO 0.43 -0.60 1.58 -1.25 -0.85 0.00 0.00 174.74 174.05 3dkh s PRO 432 N 1.61 3.20 -0.02 8.40 0.04 -1.26 0.43 135.00 147.40 3dkh s PRO 432 Ca 0.03 -0.65 -0.30 0.00 0.04 0.00 0.00 61.00 60.12 3dkh s PRO 432 Cb -0.14 -5.03 -0.04 0.00 0.04 0.00 0.00 34.50 29.33 3dkh s PRO 432 CO -0.09 -2.53 1.19 -1.64 0.04 0.00 0.00 177.00 173.97 3dkh s MET 433 N 5.75 4.38 -0.04 4.56 -1.94 0.98 -1.22 119.30 131.77 3dkh s MET 433 Ca 0.52 1.68 0.04 0.00 -1.71 0.00 0.00 55.69 56.22 3dkh s MET 433 Cb -0.04 -3.50 -0.00 0.00 2.01 0.00 0.00 34.83 33.30 3dkh s MET 433 CO -0.02 -0.38 -0.16 -1.58 -0.01 0.00 0.00 175.02 172.88 3dkh s HIS 434 N 1.87 1.59 -0.08 -0.03 5.04 0.41 -1.55 115.29 122.55 3dkh s HIS 434 Ca 0.56 -0.43 0.02 0.00 -1.54 0.00 0.00 55.06 53.68 3dkh s HIS 434 Cb -0.26 -1.07 -0.02 0.00 0.04 0.00 0.00 32.58 31.27 3dkh s HIS 434 CO 0.24 -0.14 -0.14 -1.17 -2.34 0.00 0.00 174.74 171.19 3dkh s LEU 435 N -0.01 2.72 0.25 8.88 2.96 -0.73 -1.18 118.68 131.57 3dkh s LEU 435 Ca -0.02 -0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 53.50 3dkh s LEU 435 Cb -0.10 -1.57 -0.08 0.00 0.50 0.00 0.00 46.19 44.94 3dkh s LEU 435 CO 0.02 0.29 0.65 -1.00 -1.32 0.00 0.00 176.35 174.98 3dkh s HIS 436 N -0.37 3.47 0.00 5.38 3.76 -0.44 -4.28 115.29 122.81 3dkh s HIS 436 Ca 0.04 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 3dkh s HIS 436 Cb -0.12 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.13 3dkh s HIS 436 CO 0.02 0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.56 3dkh n GLY 437 N 0.06 0.35 3.37 -2.22 0.00 -1.26 -4.74 105.19 100.75 3dkh n GLY 437 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.02 1.23 -0.15 1.61 3.76 -1.26 -4.67 115.29 113.79 3dkh s HIS 438 Ca 0.00 -1.37 -0.01 0.00 -0.15 0.00 0.00 55.06 53.54 3dkh s HIS 438 Cb 0.00 -0.35 0.04 0.00 1.11 0.00 0.00 32.58 33.37 3dkh s HIS 438 CO 0.00 -0.93 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.39 3dkh s ASP 439 N -3.24 2.62 0.49 1.40 1.01 -1.26 -4.57 116.67 113.12 3dkh s ASP 439 Ca 0.35 -0.55 -0.02 0.00 0.71 0.00 0.00 52.55 53.03 3dkh s ASP 439 Cb 0.02 -0.87 -0.00 0.00 1.01 0.00 0.00 42.92 43.07 3dkh s ASP 439 CO 0.20 -0.17 0.75 0.72 0.21 0.00 0.00 175.17 176.87 3dkh s PHE 440 N 1.67 3.27 -0.24 4.23 -0.12 0.56 -4.75 117.98 122.61 3dkh s PHE 440 Ca 0.02 0.41 -0.10 0.00 -0.05 0.00 0.00 56.93 57.22 3dkh s PHE 440 Cb -0.14 -2.43 -0.05 0.00 -0.63 0.00 0.00 43.02 39.77 3dkh s PHE 440 CO -0.08 -0.48 0.14 -0.51 -0.05 0.00 0.00 175.22 174.24 3dkh s LEU 441 N -4.70 3.98 -0.70 -1.99 1.43 0.12 -1.97 118.68 114.85 3dkh s LEU 441 Ca 0.50 0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 53.44 3dkh s LEU 441 Cb -0.10 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.15 3dkh s LEU 441 CO 0.41 0.06 0.93 -0.69 0.23 0.00 0.00 176.35 177.28 3dkh s VAL 442 N 1.11 4.55 0.14 -1.59 1.01 -0.42 -1.52 120.40 123.68 3dkh s VAL 442 Ca 0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3dkh s VAL 442 Cb -0.14 -4.65 -0.16 0.00 0.00 0.00 0.00 36.38 31.43 3dkh s VAL 442 CO 0.05 -1.38 1.34 -0.07 0.00 0.00 0.00 175.10 175.04 3dkh h LEU 443 N 10.76 0.50 0.00 3.92 3.38 -1.40 -3.37 115.31 129.10 3dkh h LEU 443 Ca -0.19 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3dkh h LEU 443 Cb 1.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3dkh h LEU 443 CO 1.14 1.16 0.00 0.61 0.09 0.00 0.00 178.44 181.44 3dkh n GLY 444 N 0.83 0.09 3.59 0.83 0.00 -1.18 -1.35 105.19 108.00 3dkh n GLY 444 Ca -0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3dkh n GLY 444 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dkh s ARG 445 N -2.00 1.65 0.68 1.61 1.70 -1.26 -1.01 118.95 120.31 3dkh s ARG 445 Ca 0.00 -1.33 -0.16 0.00 -0.47 0.00 0.00 55.73 53.77 3dkh s ARG 445 Cb 0.00 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.87 3dkh s ARG 445 CO 0.00 -0.69 1.17 -1.54 -1.08 0.00 0.00 175.30 173.16 3dkh s SER 446 N -3.05 4.70 -0.01 -2.89 1.04 -1.00 -4.90 113.70 107.59 3dkh s SER 446 Ca 0.23 2.24 -0.37 0.00 0.48 0.00 0.00 55.95 58.53 3dkh s SER 446 Cb -0.01 -2.58 -0.16 0.00 0.10 0.00 0.00 66.02 63.37 3dkh s SER 446 CO 0.11 -1.91 1.49 -2.65 0.98 0.00 0.00 173.24 171.25 3dkh n PRO 447 N -2.38 1.27 -1.58 4.02 -0.02 -1.26 -4.84 135.00 130.20 3dkh n PRO 447 Ca 0.12 0.46 -0.44 0.00 -2.02 0.00 0.00 63.50 61.62 3dkh n PRO 447 Cb 0.51 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 3dkh n PRO 447 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dkh n ASP 448 N 3.51 3.16 -4.33 2.55 8.00 -1.26 -4.97 116.55 123.21 3dkh n ASP 448 Ca 0.21 0.31 -0.17 0.00 0.71 0.00 0.00 54.79 55.84 3dkh n ASP 448 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 41.12 39.68 3dkh n ASP 448 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3dkh s VAL 449 N 7.77 0.72 0.17 2.53 -7.23 -1.26 -5.12 120.40 117.98 3dkh s VAL 449 Ca 1.01 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.86 3dkh s VAL 449 Cb -0.43 -2.58 -0.11 0.00 0.56 0.00 0.00 36.38 33.81 3dkh s VAL 449 CO 0.38 -0.08 1.75 -2.84 -0.31 0.00 0.00 175.10 174.00 3dkh s PRO 450 N -3.98 4.14 0.37 4.82 0.02 -1.26 -4.90 135.00 134.20 3dkh s PRO 450 Ca 0.35 2.58 0.17 0.00 0.02 0.00 0.00 61.00 64.13 3dkh s PRO 450 Cb 0.08 -3.28 1.11 0.00 0.02 0.00 0.00 34.50 32.43 3dkh s PRO 450 CO 0.12 -0.78 1.70 0.00 -0.33 0.00 0.00 177.00 177.71 3dkh h ALA 451 N 7.50 2.13 -0.45 -1.55 0.00 -1.84 -1.21 119.26 123.83 3dkh h ALA 451 Ca -0.44 0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.37 3dkh h ALA 451 Cb 1.21 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 3dkh h ALA 451 CO 0.95 -0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.57 3dkh n ALA 452 N -2.38 4.54 0.19 0.00 0.00 -1.26 -4.58 120.51 117.02 3dkh n ALA 452 Ca 0.30 -3.11 0.09 0.00 0.00 0.00 0.00 53.44 50.72 3dkh n ALA 452 Cb 0.99 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 19.72 3dkh n ALA 452 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dkh h SER 453 N 1.01 0.00 -2.09 0.00 4.64 -1.60 -3.48 113.55 112.04 3dkh h SER 453 Ca 0.29 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.35 3dkh h SER 453 Cb 1.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3dkh h SER 453 CO 0.50 0.19 -0.35 0.00 -0.87 0.00 0.00 176.83 176.30 3dkh n GLN 454 N -3.15 -1.43 -2.99 4.77 1.13 -1.26 -5.02 117.38 109.43 3dkh n GLN 454 Ca 0.03 0.63 -0.40 0.00 -1.94 0.00 0.00 57.00 55.32 3dkh n GLN 454 Cb 0.60 -4.86 -0.05 0.00 0.11 0.00 0.00 30.24 26.04 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 -4.77 4.49 0.01 -1.09 -0.21 -1.26 -5.06 119.66 111.76 3dkh s GLN 455 Ca 0.03 1.05 0.04 0.00 0.02 0.00 0.00 55.36 56.51 3dkh s GLN 455 Cb -0.02 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 3dkh s GLN 455 CO 0.04 0.30 -0.11 1.03 -2.12 0.00 0.00 175.29 174.43 3dkh s ARG 456 N -0.11 2.40 -0.02 2.91 1.81 -1.26 -4.53 118.95 120.15 3dkh s ARG 456 Ca 0.38 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.60 3dkh s ARG 456 Cb -0.20 -2.39 0.03 0.00 -0.45 0.00 0.00 34.95 31.94 3dkh s ARG 456 CO 0.23 0.59 0.03 -0.06 -0.68 0.00 0.00 175.30 175.40 3dkh s PHE 457 N -0.93 0.06 0.05 -0.53 0.08 -0.87 -5.01 117.98 110.84 3dkh s PHE 457 Ca 0.15 0.11 0.07 0.00 0.12 0.00 0.00 56.93 57.38 3dkh s PHE 457 Cb -0.11 -0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 42.05 3dkh s PHE 457 CO 0.06 -0.09 -0.15 0.08 -0.10 0.00 0.00 175.22 175.01 3dkh s VAL 458 N 1.05 2.99 -0.09 -0.44 1.01 -1.26 -4.33 120.40 119.33 3dkh s VAL 458 Ca -0.09 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.43 3dkh s VAL 458 Cb -0.13 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.88 3dkh s VAL 458 CO -0.03 0.29 2.06 0.12 0.00 0.00 0.00 175.10 177.54 3dkh s PHE 459 N -1.00 1.28 -0.30 5.22 5.36 -1.26 -4.96 117.98 122.32 3dkh s PHE 459 Ca 0.16 0.04 -0.01 0.00 -0.96 0.00 0.00 56.93 56.17 3dkh s PHE 459 Cb -0.11 -4.09 0.06 0.00 -0.34 0.00 0.00 43.02 38.54 3dkh s PHE 459 CO 0.07 -4.76 -0.00 0.34 -1.46 0.00 0.00 175.22 169.41 3dkh s ASP 460 N 6.13 4.83 0.51 6.13 2.15 -1.26 -5.01 116.67 130.14 3dkh s ASP 460 Ca 0.93 -1.40 0.26 0.00 0.43 0.00 0.00 52.55 52.76 3dkh s ASP 460 Cb -0.37 -1.69 1.36 0.00 -0.30 0.00 0.00 42.92 41.92 3dkh s ASP 460 CO 0.38 -0.28 1.93 -0.65 -0.17 0.00 0.00 175.17 176.38 3dkh h PRO 461 N 7.94 0.09 0.00 4.34 0.11 -1.96 -0.57 132.00 141.95 3dkh h PRO 461 Ca -0.19 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.87 3dkh h PRO 461 Cb 1.05 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3dkh h PRO 461 CO 0.53 0.06 -0.21 0.00 -0.21 0.00 0.00 178.00 178.17 3dkh h ALA 462 N 1.64 1.57 0.00 -0.75 0.00 -2.02 -3.10 119.26 116.60 3dkh h ALA 462 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dkh h ALA 462 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dkh h ALA 462 CO -0.04 0.27 -0.99 1.33 0.00 0.00 0.00 179.25 179.82 3dkh n VAL 463 N -4.17 0.00 -0.02 0.00 0.24 -1.01 -4.86 118.33 108.52 3dkh n VAL 463 Ca -0.02 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.20 3dkh n VAL 463 Cb 0.28 0.28 -0.13 0.00 -1.47 0.00 0.00 33.84 32.80 3dkh n VAL 463 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3dkh n ASP 464 N -1.56 0.82 0.29 -1.34 8.00 -0.25 -4.13 116.55 118.38 3dkh n ASP 464 Ca 0.00 0.39 0.15 0.00 0.71 0.00 0.00 54.79 56.04 3dkh n ASP 464 Cb 0.07 0.03 0.87 0.00 -0.02 0.00 0.00 41.12 42.07 3dkh n ASP 464 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dkh h LEU 465 N 0.00 0.00 0.00 0.64 3.38 -1.74 -1.77 115.31 115.82 3dkh h LEU 465 Ca -0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.47 3dkh h LEU 465 Cb 1.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.69 3dkh h LEU 465 CO 0.07 0.05 -1.14 0.00 0.09 0.00 0.00 178.44 177.52 3dkh h ALA 466 N 1.95 0.52 0.00 1.53 0.00 -1.83 -3.31 119.26 118.11 3dkh h ALA 466 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3dkh h ALA 466 Cb 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dkh h ALA 466 CO 0.01 1.23 0.00 0.54 0.00 0.00 0.00 179.25 181.02 3dkh n ARG 467 N -3.23 0.09 -2.47 0.00 1.74 -0.67 -4.84 116.66 107.29 3dkh n ARG 467 Ca -0.05 0.21 -0.31 0.00 -0.77 0.00 0.00 57.85 56.93 3dkh n ARG 467 Cb 0.93 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 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 -3.60 3.62 -0.06 0.55 1.43 -1.18 -4.86 118.68 114.59 3dkh s LEU 468 Ca 0.09 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 3dkh s LEU 468 Cb 0.13 -4.29 0.02 0.00 0.03 0.00 0.00 46.19 42.08 3dkh s LEU 468 CO 0.43 -0.58 -0.06 0.21 0.23 0.00 0.00 176.35 176.58 3dkh s ASN 469 N -3.38 1.26 -0.00 2.29 2.47 -0.45 -5.00 114.94 112.12 3dkh s ASN 469 Ca 0.55 -0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.65 3dkh s ASN 469 Cb -0.10 -0.56 0.00 0.00 -1.45 0.00 0.00 41.25 39.14 3dkh s ASN 469 CO 0.36 -0.05 0.98 0.61 -3.72 0.00 0.00 177.10 175.29 3dkh n GLY 470 N 4.13 2.76 3.17 1.21 0.00 -1.26 -4.48 105.19 110.71 3dkh n GLY 470 Ca -0.22 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.97 5.51 -1.17 1.61 2.15 -1.26 -1.50 116.67 121.03 3dkh s ASP 471 Ca 0.00 -2.09 -0.17 0.00 0.43 0.00 0.00 52.55 50.73 3dkh s ASP 471 Cb 0.00 -1.93 -0.01 0.00 -0.30 0.00 0.00 42.92 40.68 3dkh s ASP 471 CO 0.00 -0.60 0.76 -3.20 -0.17 0.00 0.00 175.17 171.97 3dkh n ASN 472 N 4.60 -4.69 -4.83 -0.34 5.15 -0.96 -5.00 115.26 109.19 3dkh n ASN 472 Ca -0.03 -0.99 -0.30 0.00 -0.60 0.00 0.00 54.58 52.66 3dkh n ASN 472 Cb 0.41 -3.50 0.07 0.00 -0.53 0.00 0.00 39.78 36.23 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 -5.94 2.38 0.06 1.20 0.04 -1.26 -4.52 135.00 126.96 3dkh s PRO 473 Ca 0.40 0.58 -0.34 0.00 0.04 0.00 0.00 61.00 61.68 3dkh s PRO 473 Cb -0.14 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 3dkh s PRO 473 CO 0.85 -1.40 1.67 -2.30 0.04 0.00 0.00 177.00 175.86 3dkh n PRO 474 N -3.27 2.06 -3.94 0.56 -0.02 -1.24 -4.58 135.00 124.56 3dkh n PRO 474 Ca 0.07 0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 61.95 3dkh n PRO 474 Cb 0.57 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 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 2.01 3.26 0.27 -0.52 3.52 -1.26 -1.30 118.95 124.93 3dkh s ARG 475 Ca 0.84 -0.69 -0.20 0.00 -0.13 0.00 0.00 55.73 55.55 3dkh s ARG 475 Cb -0.71 -2.94 0.05 0.00 -1.56 0.00 0.00 34.95 29.79 3dkh s ARG 475 CO 0.44 -0.22 0.87 -0.98 -0.81 0.00 0.00 175.30 174.60 3dkh s ARG 476 N 1.44 1.71 0.00 5.12 1.70 -0.83 -4.69 118.95 123.39 3dkh s ARG 476 Ca 0.05 -1.04 0.22 0.00 -0.47 0.00 0.00 55.73 54.49 3dkh s ARG 476 Cb -0.14 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.66 3dkh s ARG 476 CO -0.05 -0.79 0.99 -0.40 -1.08 0.00 0.00 175.30 173.97 3dkh n ASP 477 N -0.96 0.98 -3.78 -2.89 5.68 -1.26 -0.32 116.55 113.99 3dkh n ASP 477 Ca -0.06 -0.91 -0.13 0.00 -0.50 0.00 0.00 54.79 53.19 3dkh n ASP 477 Cb 0.60 0.85 -0.14 0.00 -1.14 0.00 0.00 41.12 41.29 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 -2.97 -0.03 0.20 2.12 2.01 -1.26 -1.77 115.64 113.93 3dkh s THR 478 Ca 0.09 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.05 3dkh s THR 478 Cb 0.16 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.52 3dkh s THR 478 CO 0.83 0.05 0.49 0.28 -0.69 0.00 0.00 174.62 175.58 3dkh s THR 479 N 0.76 0.03 -0.05 -0.82 -1.32 -0.59 -4.95 115.64 108.70 3dkh s THR 479 Ca -0.06 -0.90 -0.22 0.00 -1.21 0.00 0.00 61.69 59.30 3dkh s THR 479 Cb -0.08 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.21 3dkh s THR 479 CO -0.03 -0.13 0.64 -0.04 -2.21 0.00 0.00 174.62 172.84 3dkh s MET 480 N -3.89 4.39 -0.42 7.08 -1.94 -1.26 -0.01 119.30 123.24 3dkh s MET 480 Ca 0.11 0.78 -0.17 0.00 -1.71 0.00 0.00 55.69 54.70 3dkh s MET 480 Cb -0.01 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.45 3dkh s MET 480 CO -0.02 0.19 0.43 -1.17 -0.01 0.00 0.00 175.02 174.44 3dkh s LEU 481 N 0.40 4.88 0.49 -0.03 2.96 0.17 -4.90 118.68 122.65 3dkh s LEU 481 Ca 0.34 -0.69 -0.23 0.00 -0.22 0.00 0.00 54.13 53.33 3dkh s LEU 481 Cb -0.18 -2.37 -0.06 0.00 0.50 0.00 0.00 46.19 44.08 3dkh s LEU 481 CO 0.17 -0.57 1.31 -2.16 -1.32 0.00 0.00 176.35 173.78 3dkh s PRO 482 N 2.11 3.47 0.11 0.98 0.04 -1.26 -0.79 135.00 139.66 3dkh s PRO 482 Ca 0.12 2.13 -0.32 0.00 0.04 0.00 0.00 61.00 62.97 3dkh s PRO 482 Cb -0.17 -2.41 -0.11 0.00 0.04 0.00 0.00 34.50 31.84 3dkh s PRO 482 CO 0.13 -0.90 1.79 0.00 0.04 0.00 0.00 177.00 178.07 3dkh n ALA 483 N -0.64 1.97 -0.89 8.56 0.00 -1.26 -2.19 120.51 126.07 3dkh n ALA 483 Ca 0.08 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3dkh n ALA 483 Cb 0.45 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 4.10 0.74 0.00 0.00 0.00 -1.21 -4.85 105.19 103.98 3dkh n GLY 484 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 4.14 3.23 -0.02 0.00 -0.93 -2.04 105.19 107.56 3dkh n GLY 485 Ca 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 4.27 0.73 -0.11 1.61 1.48 -1.26 0.03 118.94 125.68 3dkh s TRP 486 Ca 0.00 -1.08 -0.05 0.00 -1.06 0.00 0.00 56.10 53.91 3dkh s TRP 486 Cb 0.00 -0.33 0.05 0.00 -1.16 0.00 0.00 33.47 32.03 3dkh s TRP 486 CO 0.00 -0.61 0.24 -1.17 -4.06 0.00 0.00 176.95 171.35 3dkh s LEU 487 N -3.03 0.08 -0.34 -4.66 2.96 0.47 -2.38 118.68 111.77 3dkh s LEU 487 Ca 0.24 0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 54.59 3dkh s LEU 487 Cb 0.06 0.68 0.02 0.00 0.50 0.00 0.00 46.19 47.45 3dkh s LEU 487 CO 0.03 -0.20 0.15 -0.22 -1.32 0.00 0.00 176.35 174.79 3dkh s LEU 488 N 1.83 4.37 0.33 -0.68 2.96 -0.18 -0.12 118.68 127.19 3dkh s LEU 488 Ca -0.04 -0.88 0.08 0.00 -0.22 0.00 0.00 54.13 53.08 3dkh s LEU 488 Cb -0.11 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3dkh s LEU 488 CO -0.08 -0.30 0.11 -0.76 -1.32 0.00 0.00 176.35 174.00 3dkh s LEU 489 N 1.53 3.24 -0.19 -0.68 1.43 0.07 -1.24 118.68 122.84 3dkh s LEU 489 Ca 0.02 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 3dkh s LEU 489 Cb -0.18 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.38 3dkh s LEU 489 CO 0.05 -0.25 0.47 0.00 0.23 0.00 0.00 176.35 176.85 3dkh s ALA 490 N -2.41 -1.20 -0.00 4.21 0.00 -0.57 -0.86 121.76 120.92 3dkh s ALA 490 Ca 0.36 1.61 -0.00 0.00 0.00 0.00 0.00 51.96 53.94 3dkh s ALA 490 Cb -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.13 3dkh s ALA 490 CO 0.22 -0.27 0.00 -0.59 0.00 0.00 0.00 175.76 175.12 3dkh s PHE 491 N 1.15 0.00 -0.07 0.00 -0.71 -0.90 0.14 117.98 117.59 3dkh s PHE 491 Ca -0.07 0.01 -0.29 0.00 -1.04 0.00 0.00 56.93 55.53 3dkh s PHE 491 Cb -0.07 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.71 3dkh s PHE 491 CO -0.10 -0.00 0.98 0.50 -1.34 0.00 0.00 175.22 175.25 3dkh s ARG 492 N 0.05 4.46 -1.02 1.99 3.52 -1.26 -1.69 118.95 125.00 3dkh s ARG 492 Ca -0.00 1.37 -0.16 0.00 -0.13 0.00 0.00 55.73 56.80 3dkh s ARG 492 Cb -0.01 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.78 3dkh s ARG 492 CO -0.00 -0.22 2.11 0.25 -0.81 0.00 0.00 175.30 176.63 3dkh n THR 493 N 4.32 2.50 0.14 4.11 -2.24 -0.74 -4.59 114.28 117.79 3dkh n THR 493 Ca 0.07 -1.97 0.10 0.00 -2.27 0.00 0.00 64.05 59.98 3dkh n THR 493 Cb 0.50 -2.37 0.19 0.00 -2.10 0.00 0.00 70.33 66.55 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 6.24 3.23 -3.50 3.42 5.68 -1.26 -2.02 116.55 128.34 3dkh n ASP 494 Ca 0.51 -1.93 -0.29 0.00 -0.50 0.00 0.00 54.79 52.59 3dkh n ASP 494 Cb 0.34 -0.24 -0.12 0.00 -1.14 0.00 0.00 41.12 39.95 3dkh n ASP 494 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3dkh s ASN 495 N -1.25 3.11 0.06 -1.12 2.47 -1.26 -4.90 114.94 112.04 3dkh s ASN 495 Ca 0.34 -2.13 -0.34 0.00 0.42 0.00 0.00 52.86 51.15 3dkh s ASN 495 Cb 0.19 -0.47 -0.13 0.00 -1.45 0.00 0.00 41.25 39.40 3dkh s ASN 495 CO 0.26 -0.32 1.72 -2.65 -3.72 0.00 0.00 177.10 172.40 3dkh n PRO 496 N 4.13 2.22 0.00 0.43 -0.02 -1.26 -4.89 135.00 135.61 3dkh n PRO 496 Ca 0.10 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3dkh n PRO 496 Cb 0.37 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.89 0.60 3.55 -1.23 0.00 0.47 -4.75 105.19 107.71 3dkh n GLY 497 Ca 0.19 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 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 3.47 -0.09 4.61 0.00 -1.26 -0.50 121.76 125.99 3dkh s ALA 498 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.89 3dkh s ALA 498 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3dkh s ALA 498 CO 0.00 -1.23 -0.20 -1.58 0.00 0.00 0.00 175.76 172.75 3dkh s TRP 499 N 2.29 2.26 0.21 0.00 0.52 0.46 -4.82 118.94 119.86 3dkh s TRP 499 Ca 0.16 -0.93 -0.30 0.00 0.02 0.00 0.00 56.10 55.05 3dkh s TRP 499 Cb -0.16 -1.54 -0.08 0.00 -1.15 0.00 0.00 33.47 30.54 3dkh s TRP 499 CO 0.13 -0.40 1.02 -0.51 0.02 0.00 0.00 176.95 177.21 3dkh s LEU 500 N 0.48 4.56 -0.25 2.99 1.43 -1.26 0.23 118.68 126.87 3dkh s LEU 500 Ca -0.17 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 3dkh s LEU 500 Cb -0.17 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.51 3dkh s LEU 500 CO 0.06 -0.04 -0.01 0.12 0.23 0.00 0.00 176.35 176.72 3dkh s PHE 501 N -0.75 2.15 0.22 0.29 5.36 -0.71 -1.33 117.98 123.22 3dkh s PHE 501 Ca 0.45 -1.69 -0.07 0.00 -0.96 0.00 0.00 56.93 54.66 3dkh s PHE 501 Cb -0.28 -1.61 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 3dkh s PHE 501 CO 0.34 -0.77 0.31 -3.38 -1.46 0.00 0.00 175.22 170.26 3dkh s HIS 502 N 1.47 0.76 0.13 10.12 -3.43 -0.32 -1.05 115.29 122.97 3dkh s HIS 502 Ca -0.01 -1.05 -0.30 0.00 -0.80 0.00 0.00 55.06 52.90 3dkh s HIS 502 Cb -0.18 -0.18 -0.06 0.00 -1.43 0.00 0.00 32.58 30.72 3dkh s HIS 502 CO -0.10 -0.82 0.94 0.00 -2.00 0.00 0.00 174.74 172.77 3dkh n HIS 504 N 2.52 0.00 -2.30 0.00 -0.00 -0.36 -4.21 115.22 110.88 3dkh n HIS 504 Ca 0.01 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.76 3dkh n HIS 504 Cb 0.49 -0.01 -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 -2.03 4.01 0.29 3.57 1.01 -1.26 -4.78 121.20 122.01 3dkh s ILE 505 Ca 0.40 1.18 0.03 0.00 0.00 0.00 0.00 60.65 62.26 3dkh s ILE 505 Cb 0.21 -3.91 0.28 0.00 0.01 0.00 0.00 42.46 39.05 3dkh s ILE 505 CO 0.35 -0.27 1.70 0.00 0.00 0.00 0.00 174.94 176.73 3dkh h ALA 506 N 9.31 1.40 -0.20 9.38 0.00 -0.51 -1.54 119.26 137.10 3dkh h ALA 506 Ca -0.30 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3dkh h ALA 506 Cb 1.12 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3dkh h ALA 506 CO 1.00 -0.31 -0.30 -1.49 0.00 0.00 0.00 179.25 178.14 3dkh h TRP 507 N 0.42 0.45 -0.02 0.00 -0.00 -1.90 -2.35 115.95 112.55 3dkh h TRP 507 Ca 0.54 -0.10 -0.25 0.00 -0.00 0.00 0.00 58.89 59.08 3dkh h TRP 507 Cb 1.00 -0.11 0.02 0.00 -0.00 0.00 0.00 29.16 30.07 3dkh h TRP 507 CO -0.14 0.66 -1.00 0.45 -0.00 0.00 0.00 178.44 178.41 3dkh h HIS 508 N 0.35 0.96 0.00 0.49 3.86 -1.65 -1.57 115.15 117.58 3dkh h HIS 508 Ca 0.05 -0.51 -0.08 0.00 -1.16 0.00 0.00 60.37 58.66 3dkh h HIS 508 Cb 0.70 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3dkh h HIS 508 CO 0.02 1.34 -0.40 -0.24 0.86 0.00 0.00 177.93 179.51 3dkh h VAL 509 N 0.38 1.03 0.00 2.45 3.04 -1.39 -1.24 116.25 120.52 3dkh h VAL 509 Ca -0.11 -1.52 -0.14 0.00 -1.01 0.00 0.00 66.70 63.92 3dkh h VAL 509 Cb 1.64 1.88 -0.02 0.00 -2.01 0.00 0.00 31.29 32.78 3dkh h VAL 509 CO 0.19 0.39 -0.68 0.28 -1.01 0.00 0.00 177.57 176.75 3dkh h SER 510 N 0.00 0.00 1.46 3.17 0.02 -1.36 -2.75 113.55 114.09 3dkh h SER 510 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3dkh h SER 510 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3dkh h SER 510 CO 0.05 0.68 -0.18 1.23 -1.14 0.00 0.00 176.83 177.47 3dkh h GLY 511 N 2.07 0.00 0.00 -3.77 0.00 -0.46 -2.54 103.07 98.36 3dkh h GLY 511 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3dkh h GLY 511 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 3dkh n GLY 512 N 0.74 0.22 3.57 4.60 0.00 -0.70 -1.85 105.19 111.77 3dkh n GLY 512 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3dkh n GLY 512 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dkh s LEU 513 N 0.00 3.26 -0.12 0.99 0.20 -0.55 -1.89 118.68 120.56 3dkh s LEU 513 Ca 0.00 -1.57 -0.30 0.00 0.69 0.00 0.00 54.13 52.95 3dkh s LEU 513 Cb 0.00 -2.58 0.12 0.00 -0.43 0.00 0.00 46.19 43.30 3dkh s LEU 513 CO 0.00 -2.51 0.98 -0.55 -0.29 0.00 0.00 176.35 173.98 3dkh s SER 514 N 6.29 -0.36 0.29 3.68 0.15 -1.26 -2.38 113.70 120.11 3dkh s SER 514 Ca 0.64 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.60 3dkh s SER 514 Cb -0.01 0.32 -0.06 0.00 -1.71 0.00 0.00 66.02 64.56 3dkh s SER 514 CO 0.07 -0.41 0.08 0.68 1.20 0.00 0.00 173.24 174.87 3dkh s VAL 515 N -1.68 0.82 -0.21 4.45 -7.23 -0.21 -4.43 120.40 111.91 3dkh s VAL 515 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 3dkh s VAL 515 Cb -0.01 -2.70 0.06 0.00 0.56 0.00 0.00 36.38 34.29 3dkh s VAL 515 CO -0.01 0.00 -0.00 -0.62 -0.31 0.00 0.00 175.10 174.16 3dkh s ASP 516 N -3.39 3.28 -0.76 4.85 -1.08 0.93 -1.74 116.67 118.78 3dkh s ASP 516 Ca 0.37 -0.96 -0.27 0.00 -0.52 0.00 0.00 52.55 51.17 3dkh s ASP 516 Cb 0.08 -0.83 0.03 0.00 -1.46 0.00 0.00 42.92 40.74 3dkh s ASP 516 CO 0.15 -0.28 1.29 -0.36 0.52 0.00 0.00 175.17 176.49 3dkh s PHE 517 N 1.67 2.29 -0.98 -5.34 0.08 0.13 -0.73 117.98 115.11 3dkh s PHE 517 Ca -0.03 -0.10 -0.18 0.00 0.12 0.00 0.00 56.93 56.74 3dkh s PHE 517 Cb -0.18 -4.63 0.13 0.00 -0.57 0.00 0.00 43.02 37.77 3dkh s PHE 517 CO -0.07 -2.07 1.20 -1.17 -0.10 0.00 0.00 175.22 173.01 3dkh s LEU 518 N 5.70 4.91 -0.15 -0.37 2.96 -1.03 -0.41 118.68 130.30 3dkh s LEU 518 Ca 0.36 -2.13 -0.26 0.00 -0.22 0.00 0.00 54.13 51.88 3dkh s LEU 518 Cb -0.08 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 3dkh s LEU 518 CO 0.14 -1.06 0.87 -0.70 -1.32 0.00 0.00 176.35 174.28 3dkh s GLU 519 N 2.74 4.33 -0.91 1.98 2.12 0.35 -2.04 118.70 127.27 3dkh s GLU 519 Ca 0.35 1.11 -0.08 0.00 0.36 0.00 0.00 54.97 56.72 3dkh s GLU 519 Cb -0.04 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.79 3dkh s GLU 519 CO -0.08 -0.32 0.65 0.54 -0.54 0.00 0.00 175.26 175.50 3dkh n ARG 520 N 5.16 -1.27 -0.21 4.30 1.74 -0.59 -0.40 116.66 125.39 3dkh n ARG 520 Ca 0.05 0.71 0.01 0.00 -0.77 0.00 0.00 57.85 57.86 3dkh n ARG 520 Cb 0.49 -2.92 0.12 0.00 -1.02 0.00 0.00 32.46 29.13 3dkh n ARG 520 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3dkh h PRO 521 N -0.72 0.31 -0.78 5.56 0.11 -1.84 -1.75 132.00 132.88 3dkh h PRO 521 Ca -0.57 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.50 3dkh h PRO 521 Cb 1.35 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3dkh h PRO 521 CO 0.39 0.20 0.40 0.00 -0.21 0.00 0.00 178.00 178.78 3dkh h ALA 522 N 1.48 1.23 0.00 -0.75 0.00 -1.99 -2.69 119.26 116.55 3dkh h ALA 522 Ca 0.33 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3dkh h ALA 522 Cb 0.49 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3dkh h ALA 522 CO -0.39 0.60 -0.70 -0.44 0.00 0.00 0.00 179.25 178.32 3dkh h ASP 523 N 1.10 0.00 -0.18 0.00 3.32 -1.85 -3.35 116.42 115.47 3dkh h ASP 523 Ca 0.27 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3dkh h ASP 523 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3dkh h ASP 523 CO -0.04 0.70 0.00 0.25 -1.72 0.00 0.00 179.24 178.43 3dkh h LEU 524 N 0.00 0.30 -1.13 1.55 5.85 -0.99 -3.13 115.31 117.76 3dkh h LEU 524 Ca -0.01 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3dkh h LEU 524 Cb 1.32 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 3dkh h LEU 524 CO 0.09 0.53 0.59 -0.09 -0.34 0.00 0.00 178.44 179.22 3dkh h ARG 525 N 0.06 1.09 0.00 1.25 2.43 -1.67 -2.35 114.38 115.20 3dkh h ARG 525 Ca 0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3dkh h ARG 525 Cb 0.38 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3dkh h ARG 525 CO 0.01 0.72 0.00 1.04 -1.51 0.00 0.00 179.97 180.23 3dkh n GLN 526 N -4.44 0.21 0.00 0.20 3.00 -1.24 -3.46 117.38 111.66 3dkh n GLN 526 Ca 0.12 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.45 3dkh n GLN 526 Cb 0.10 -1.77 0.12 0.00 0.00 0.00 0.00 30.24 28.69 3dkh n GLN 526 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3dkh n ARG 527 N -2.14 1.19 -2.89 -1.09 1.74 -0.89 -4.89 116.66 107.69 3dkh n ARG 527 Ca 0.05 -0.92 -0.42 0.00 -0.77 0.00 0.00 57.85 55.79 3dkh n ARG 527 Cb 0.38 -1.48 -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 -2.44 4.76 0.69 0.55 1.01 -1.18 -4.97 121.20 119.62 3dkh s ILE 528 Ca 0.21 1.31 -0.15 0.00 0.00 0.00 0.00 60.65 62.03 3dkh s ILE 528 Cb 0.19 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.49 3dkh s ILE 528 CO 0.54 -0.26 1.14 -0.94 0.00 0.00 0.00 174.94 175.42 3dkh s SER 529 N 1.58 4.74 0.51 3.58 1.04 -1.26 -4.85 113.70 119.04 3dkh s SER 529 Ca 0.34 2.13 0.17 0.00 0.48 0.00 0.00 55.95 59.07 3dkh s SER 529 Cb -0.14 -2.56 1.25 0.00 0.10 0.00 0.00 66.02 64.67 3dkh s SER 529 CO 0.12 -1.89 2.12 -0.61 0.98 0.00 0.00 173.24 173.97 3dkh h GLN 530 N -0.13 0.00 -0.23 4.02 5.75 -1.99 -1.49 115.11 121.04 3dkh h GLN 530 Ca -0.47 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 57.84 3dkh h GLN 530 Cb 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 3dkh h GLN 530 CO 0.52 0.04 -0.62 0.93 -2.65 0.00 0.00 178.83 177.05 3dkh h GLU 531 N 0.00 0.82 -0.04 1.69 3.07 -1.99 -2.15 114.58 115.98 3dkh h GLU 531 Ca -0.00 -0.58 -0.17 0.00 -0.50 0.00 0.00 59.36 58.11 3dkh h GLU 531 Cb 0.07 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3dkh h GLU 531 CO 0.01 1.20 -0.71 -0.44 -1.40 0.00 0.00 179.01 177.66 3dkh h ASP 532 N 0.58 0.27 -0.30 1.42 3.32 -1.81 -1.98 116.42 117.92 3dkh h ASP 532 Ca -0.01 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.72 3dkh h ASP 532 Cb 1.24 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3dkh h ASP 532 CO 0.13 0.89 -0.33 -0.08 -1.72 0.00 0.00 179.24 178.13 3dkh h GLU 533 N 0.15 0.76 -0.35 3.56 4.81 -1.29 -1.91 114.58 120.31 3dkh h GLU 533 Ca -0.02 -0.41 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 3dkh h GLU 533 Cb 1.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3dkh h GLU 533 CO 0.11 1.04 -0.21 -0.44 -0.73 0.00 0.00 179.01 178.77 3dkh h ASP 534 N 0.51 0.79 -0.49 1.04 3.32 -1.37 -2.04 116.42 118.19 3dkh h ASP 534 Ca 0.04 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 3dkh h ASP 534 Cb 0.91 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3dkh h ASP 534 CO 0.08 1.04 0.22 -0.78 -1.72 0.00 0.00 179.24 178.09 3dkh h ASP 535 N 0.54 0.66 -0.10 6.45 3.58 -1.38 0.14 116.42 126.31 3dkh h ASP 535 Ca 0.07 -0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.40 3dkh h ASP 535 Cb 0.77 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 3dkh h ASP 535 CO 0.06 0.62 -0.03 0.15 -2.88 0.00 0.00 179.24 177.16 3dkh h PHE 536 N 0.65 -0.07 -0.26 0.28 3.04 -1.28 -0.48 116.94 118.82 3dkh h PHE 536 Ca 0.17 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.01 3dkh h PHE 536 Cb 0.15 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 3dkh h PHE 536 CO -0.00 -0.05 -0.34 -0.91 -2.02 0.00 0.00 178.31 174.98 3dkh h ASN 537 N -0.01 0.57 -0.06 0.41 2.35 -1.15 -1.31 115.58 116.38 3dkh h ASN 537 Ca 0.05 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3dkh h ASN 537 Cb 0.09 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3dkh h ASN 537 CO -0.11 0.87 0.02 -0.09 -1.65 0.00 0.00 177.43 176.47 3dkh h ARG 538 N 0.47 0.10 -0.06 0.81 2.43 -0.41 -0.31 114.38 117.40 3dkh h ARG 538 Ca 0.05 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3dkh h ARG 538 Cb 0.81 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3dkh h ARG 538 CO 0.07 0.27 -0.36 0.28 -1.51 0.00 0.00 179.97 178.72 3dkh h VAL 539 N -0.09 1.28 -0.04 0.20 2.07 -1.08 -2.06 116.25 116.52 3dkh h VAL 539 Ca 0.02 -1.32 -0.17 0.00 0.82 0.00 0.00 66.70 66.05 3dkh h VAL 539 Cb 0.22 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3dkh h VAL 539 CO -0.00 0.39 -0.74 0.00 0.02 0.00 0.00 177.57 177.24 3dkh h ASP 541 N 0.17 0.81 0.36 0.00 3.32 -0.71 -1.45 116.42 118.92 3dkh h ASP 541 Ca -0.03 -0.47 -0.14 0.00 0.02 0.00 0.00 57.03 56.41 3dkh h ASP 541 Cb 1.30 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 3dkh h ASP 541 CO 0.12 1.25 -0.59 -0.33 -1.72 0.00 0.00 179.24 177.96 3dkh h GLU 542 N 0.51 0.23 0.04 3.56 5.08 -1.41 -2.36 114.58 120.25 3dkh h GLU 542 Ca -0.01 -0.16 -0.19 0.00 -1.00 0.00 0.00 59.36 57.99 3dkh h GLU 542 Cb 1.24 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.53 3dkh h GLU 542 CO 0.13 0.76 -0.78 2.35 -1.00 0.00 0.00 179.01 180.47 3dkh h TRP 543 N 0.18 0.71 0.00 4.33 2.91 -1.36 -2.58 115.95 120.12 3dkh h TRP 543 Ca -0.00 -0.41 -0.05 0.00 1.13 0.00 0.00 58.89 59.55 3dkh h TRP 543 Cb 1.09 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.66 3dkh h TRP 543 CO 0.02 1.25 -0.26 0.00 -1.03 0.00 0.00 178.44 178.43 3dkh h ARG 544 N -0.04 0.00 0.04 2.65 3.08 -1.26 -0.54 114.38 118.30 3dkh h ARG 544 Ca -0.11 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.69 3dkh h ARG 544 Cb 1.50 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.56 3dkh h ARG 544 CO 0.15 0.26 -1.05 0.00 -1.07 0.00 0.00 179.97 178.26 3dkh h ALA 545 N 1.74 0.21 -0.10 0.04 0.00 -1.47 -3.34 119.26 116.35 3dkh h ALA 545 Ca -0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 3dkh h ALA 545 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dkh h ALA 545 CO 0.03 0.78 -0.22 -0.92 0.00 0.00 0.00 179.25 178.92 3dkh h TYR 546 N 0.26 0.41 -0.98 0.00 3.20 -1.14 -3.38 116.97 115.35 3dkh h TYR 546 Ca -0.12 -0.15 0.31 0.00 3.14 0.00 0.00 58.73 61.91 3dkh h TYR 546 Cb 1.71 -0.07 -0.17 0.00 1.54 0.00 0.00 36.73 39.73 3dkh h TYR 546 CO 0.08 0.84 0.24 2.35 -1.64 0.00 0.00 178.16 180.02 3dkh h TRP 547 N -0.14 0.32 0.00 -3.82 2.91 -1.22 -1.49 115.95 112.52 3dkh h TRP 547 Ca -0.00 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3dkh h TRP 547 Cb 0.82 0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.49 3dkh h TRP 547 CO 0.11 -0.40 0.00 -1.35 -1.03 0.00 0.00 178.44 175.77 3dkh h PRO 548 N 0.05 0.00 0.00 2.65 0.11 -1.77 -2.29 132.00 130.75 3dkh h PRO 548 Ca 0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 3dkh h PRO 548 Cb 1.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.65 3dkh h PRO 548 CO -0.82 0.00 -0.70 0.25 -0.21 0.00 0.00 178.00 176.52 3dkh n THR 549 N -2.47 0.10 -2.05 -1.15 -2.24 -0.56 -4.90 114.28 101.00 3dkh n THR 549 Ca 0.00 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3dkh n THR 549 Cb 0.17 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 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 -3.42 6.71 0.00 3.42 3.84 -0.86 -4.92 114.94 119.71 3dkh s ASN 550 Ca 0.08 2.33 0.29 0.00 0.21 0.00 0.00 52.86 55.77 3dkh s ASN 550 Cb 0.16 -2.56 1.56 0.00 -0.55 0.00 0.00 41.25 39.85 3dkh s ASN 550 CO 0.75 -0.82 2.03 -0.81 -2.79 0.00 0.00 177.10 175.46 3dkh n PRO 551 N 5.49 0.58 -4.82 0.43 -0.04 -1.26 -4.84 135.00 130.55 3dkh n PRO 551 Ca 0.15 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.32 3dkh n PRO 551 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.38 2.39 0.78 0.54 2.02 -1.26 -5.15 117.35 114.29 3dkh s TYR 552 Ca 0.33 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.63 3dkh s TYR 552 Cb 0.20 -1.41 0.16 0.00 -0.40 0.00 0.00 41.96 40.51 3dkh s TYR 552 CO 0.40 0.17 1.07 -1.25 -1.57 0.00 0.00 175.55 174.37 3dkh s PRO 553 N -1.32 1.36 -0.46 -1.71 0.04 -1.26 -5.06 135.00 126.60 3dkh s PRO 553 Ca 0.13 -1.13 -0.16 0.00 0.04 0.00 0.00 61.00 59.88 3dkh s PRO 553 Cb -0.10 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.24 3dkh s PRO 553 CO 0.03 -1.71 0.39 0.21 0.04 0.00 0.00 177.00 175.96 3dkh s LYS 554 N -5.30 3.00 0.10 4.56 2.20 -1.26 -4.93 119.74 118.11 3dkh s LYS 554 Ca 0.69 -1.19 0.24 0.00 -0.36 0.00 0.00 55.97 55.35 3dkh s LYS 554 Cb -0.04 -4.08 0.27 0.00 -1.51 0.00 0.00 37.83 32.47 3dkh s LYS 554 CO 0.46 -0.96 1.25 0.44 -0.36 0.00 0.00 175.35 176.18 3dkh n ILE 555 N 5.24 0.32 -3.32 5.43 -5.35 -1.26 -4.99 119.36 115.43 3dkh n ILE 555 Ca -0.11 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 3dkh n ILE 555 Cb 0.45 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 3dkh n ILE 555 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3dkh n ASP 556 N -2.09 1.73 -0.29 7.28 5.68 -1.26 -5.06 116.55 122.55 3dkh n ASP 556 Ca 0.03 -0.32 -0.06 0.00 -0.50 0.00 0.00 54.79 53.94 3dkh n ASP 556 Cb 0.44 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.48 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 1.07 0.00 -1.12 4.64 -1.68 -3.47 113.55 112.98 3dkh h SER 557 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3dkh h SER 557 Cb 0.00 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 3dkh h SER 557 CO 0.00 0.94 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 3dkh n GLY 558 N -0.89 0.47 0.58 -0.77 0.00 -1.26 -2.06 105.19 101.26 3dkh n GLY 558 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 3dkh n GLY 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32