#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dk5 s THR 7 N 0.00 0.94 -0.17 5.18 -4.23 -1.26 -1.92 115.64 114.18 3dk5 s THR 7 Ca 0.00 -0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 3dk5 s THR 7 Cb 0.00 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 3dk5 s THR 7 CO 0.00 0.29 0.09 0.00 -0.54 0.00 0.00 174.62 174.45 3dk5 s ALA 8 N 0.19 3.54 -0.17 3.99 0.00 -0.54 -1.71 121.76 127.06 3dk5 s ALA 8 Ca -0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 3dk5 s ALA 8 Cb -0.10 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 3dk5 s ALA 8 CO 0.01 0.29 -0.03 0.08 0.00 0.00 0.00 175.76 176.11 3dk5 s VAL 9 N 0.00 3.86 -0.12 0.00 1.01 0.91 -1.45 120.40 124.61 3dk5 s VAL 9 Ca 0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3dk5 s VAL 9 Cb -0.12 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3dk5 s VAL 9 CO 0.00 0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 174.79 3dk5 s LEU 10 N 0.54 3.35 -0.19 3.92 1.43 0.11 -1.35 118.68 126.49 3dk5 s LEU 10 Ca -0.03 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3dk5 s LEU 10 Cb -0.14 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3dk5 s LEU 10 CO 0.03 0.26 -0.04 -0.69 0.23 0.00 0.00 176.35 176.13 3dk5 s VAL 11 N -0.17 3.60 -0.43 -1.59 1.01 -0.09 -1.54 120.40 121.19 3dk5 s VAL 11 Ca 0.04 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 3dk5 s VAL 11 Cb -0.13 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.67 3dk5 s VAL 11 CO 0.02 0.45 0.51 -0.76 0.00 0.00 0.00 175.10 175.32 3dk5 s LEU 12 N 1.00 4.80 -0.30 3.92 1.43 0.52 -1.83 118.68 128.21 3dk5 s LEU 12 Ca 0.00 -0.62 0.11 0.00 -1.03 0.00 0.00 54.13 52.59 3dk5 s LEU 12 Cb -0.15 -2.48 0.47 0.00 0.03 0.00 0.00 46.19 44.07 3dk5 s LEU 12 CO 0.01 -0.66 1.15 0.00 0.23 0.00 0.00 176.35 177.08 3dk5 n ALA 13 N 5.81 4.36 0.48 4.21 0.00 -0.24 -2.66 120.51 132.46 3dk5 n ALA 13 Ca -0.06 -3.56 0.05 0.00 0.00 0.00 0.00 53.44 49.87 3dk5 n ALA 13 Cb 0.47 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 3dk5 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dk5 n ALA 14 N -0.63 3.23 -1.35 0.00 0.00 -1.12 -4.36 120.51 116.29 3dk5 n ALA 14 Ca 0.33 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 3dk5 n ALA 14 Cb 0.89 -0.37 0.13 0.00 0.00 0.00 0.00 19.45 20.09 3dk5 n ALA 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dk5 s GLY 15 N -1.85 1.61 0.18 0.00 0.00 -1.26 -3.84 107.32 102.16 3dk5 s GLY 15 Ca 0.05 -0.19 0.13 0.00 0.00 0.00 0.00 44.72 44.71 3dk5 s GLY 15 CO 0.39 0.30 1.24 -0.56 0.00 0.00 0.00 173.10 174.46 3dk5 h PRO 16 N -1.43 0.00 -3.52 2.90 0.13 -2.02 -3.47 132.00 124.60 3dk5 h PRO 16 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 3dk5 h PRO 16 Cb 1.29 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.49 3dk5 h PRO 16 CO 0.57 0.60 -0.34 0.41 -0.23 0.00 0.00 178.00 179.02 3dk5 n GLY 17 N 1.31 0.13 0.31 1.56 0.00 -1.26 -4.68 105.19 102.57 3dk5 n GLY 17 Ca -0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 3dk5 n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dk5 h THR 18 N -0.96 1.25 -0.15 2.61 2.02 -1.94 -3.00 112.91 112.74 3dk5 h THR 18 Ca -0.26 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 65.92 3dk5 h THR 18 Cb 1.16 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3dk5 h THR 18 CO 0.23 0.37 0.00 0.54 0.37 0.00 0.00 175.52 177.03 3dk5 n ARG 19 N -4.22 1.76 0.26 6.66 1.74 -1.26 -2.30 116.66 119.30 3dk5 n ARG 19 Ca 0.04 -1.14 0.14 0.00 -0.77 0.00 0.00 57.85 56.12 3dk5 n ARG 19 Cb 0.28 -1.41 0.68 0.00 -1.02 0.00 0.00 32.46 30.98 3dk5 n ARG 19 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3dk5 h MET 20 N 2.36 0.00 -6.39 5.56 2.86 -1.55 -3.41 114.93 114.36 3dk5 h MET 20 Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 3dk5 h MET 20 Cb 0.52 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.22 3dk5 h MET 20 CO 0.00 0.12 -0.94 0.54 1.06 0.00 0.00 176.91 177.69 3dk5 n ARG 21 N -3.39 -1.50 -4.09 1.72 5.12 -0.97 -4.76 116.66 108.79 3dk5 n ARG 21 Ca -0.01 0.38 -0.13 0.00 -1.93 0.00 0.00 57.85 56.16 3dk5 n ARG 21 Cb 0.30 -3.96 -0.11 0.00 -1.16 0.00 0.00 32.46 27.53 3dk5 n ARG 21 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3dk5 s SER 22 N -3.67 1.01 0.00 0.55 0.15 -1.26 -5.00 113.70 105.48 3dk5 s SER 22 Ca 0.38 -0.62 0.26 0.00 0.70 0.00 0.00 55.95 56.67 3dk5 s SER 22 Cb -0.15 0.03 0.70 0.00 -1.71 0.00 0.00 66.02 64.89 3dk5 s SER 22 CO 0.88 -0.22 1.54 0.47 1.20 0.00 0.00 173.24 177.11 3dk5 n ASP 23 N 1.23 1.90 -4.60 5.45 8.00 -1.26 -4.77 116.55 122.50 3dk5 n ASP 23 Ca -0.21 -1.56 -0.37 0.00 0.71 0.00 0.00 54.79 53.36 3dk5 n ASP 23 Cb 0.55 0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.60 3dk5 n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dk5 s THR 24 N -2.10 5.13 0.01 -3.53 2.01 -1.26 -5.04 115.64 110.86 3dk5 s THR 24 Ca 0.32 0.10 -0.38 0.00 0.31 0.00 0.00 61.69 62.05 3dk5 s THR 24 Cb 0.20 -3.41 -0.17 0.00 0.01 0.00 0.00 72.50 69.14 3dk5 s THR 24 CO 0.37 0.32 1.42 -2.65 -0.69 0.00 0.00 174.62 173.38 3dk5 n PRO 25 N 4.62 1.12 -0.31 4.92 -0.02 -1.26 -4.82 135.00 139.25 3dk5 n PRO 25 Ca -0.15 0.41 0.18 0.00 -2.02 0.00 0.00 63.50 61.92 3dk5 n PRO 25 Cb 0.52 -2.05 0.35 0.00 -0.02 0.00 0.00 33.50 32.30 3dk5 n PRO 25 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3dk5 n LYS 26 N 3.08 -0.07 0.21 -0.52 4.81 -1.26 -0.92 118.16 123.50 3dk5 n LYS 26 Ca 0.20 1.36 0.15 0.00 -0.87 0.00 0.00 58.31 59.15 3dk5 n LYS 26 Cb 0.17 -2.23 0.55 0.00 0.02 0.00 0.00 35.03 33.54 3dk5 n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3dk5 h VAL 27 N 0.00 0.00 -0.01 3.15 2.07 -1.88 -2.73 116.25 116.85 3dk5 h VAL 27 Ca 0.63 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3dk5 h VAL 27 Cb 1.42 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3dk5 h VAL 27 CO -0.83 0.00 -0.29 0.18 0.02 0.00 0.00 177.57 176.65 3dk5 n LEU 28 N -2.78 1.43 -4.75 2.57 4.77 -0.10 -2.07 117.00 116.08 3dk5 n LEU 28 Ca 0.02 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 55.13 3dk5 n LEU 28 Cb 0.32 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3dk5 n LEU 28 CO 0.26 0.26 1.16 -1.00 -1.33 0.00 0.00 177.39 176.74 3dk5 s HIS 29 N -2.43 2.87 0.25 -1.77 3.76 -1.03 -4.71 115.29 112.22 3dk5 s HIS 29 Ca 0.24 0.96 0.07 0.00 -0.15 0.00 0.00 55.06 56.18 3dk5 s HIS 29 Cb 0.19 -3.94 -0.04 0.00 1.11 0.00 0.00 32.58 29.91 3dk5 s HIS 29 CO 0.51 -3.03 0.20 0.95 -0.85 0.00 0.00 174.74 172.52 3dk5 s THR 30 N -0.18 4.47 -0.16 1.30 -4.23 -1.26 -1.51 115.64 114.07 3dk5 s THR 30 Ca 0.60 -1.39 -0.18 0.00 -1.18 0.00 0.00 61.69 59.54 3dk5 s THR 30 Cb -0.45 -3.41 0.05 0.00 1.34 0.00 0.00 72.50 70.03 3dk5 s THR 30 CO 0.48 -0.34 0.50 -1.48 -0.54 0.00 0.00 174.62 173.23 3dk5 s LEU 31 N -3.83 0.09 -1.32 4.79 2.34 -0.52 -4.95 118.68 115.28 3dk5 s LEU 31 Ca 0.33 0.91 0.00 0.00 0.06 0.00 0.00 54.13 55.43 3dk5 s LEU 31 Cb -0.08 1.75 0.00 0.00 -0.56 0.00 0.00 46.19 47.30 3dk5 s LEU 31 CO 0.25 -0.23 0.00 0.00 -1.06 0.00 0.00 176.35 175.31 3dk5 n ALA 32 N 2.52 -0.26 0.00 1.48 0.00 -1.26 -2.52 120.51 120.47 3dk5 n ALA 32 Ca -0.15 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3dk5 n ALA 32 Cb 0.56 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3dk5 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dk5 n GLY 33 N -0.30 2.12 3.41 0.00 0.00 -1.26 -2.07 105.19 107.09 3dk5 n GLY 33 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 3dk5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dk5 s ARG 34 N -0.20 1.47 0.79 1.61 0.52 -1.05 -4.99 118.95 117.10 3dk5 s ARG 34 Ca 0.00 -1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 53.63 3dk5 s ARG 34 Cb 0.00 -1.81 0.07 0.00 0.52 0.00 0.00 34.95 33.72 3dk5 s ARG 34 CO 0.00 0.40 1.09 -1.54 0.02 0.00 0.00 175.30 175.27 3dk5 s SER 35 N -2.52 4.35 0.30 0.23 1.04 -1.26 -1.44 113.70 114.40 3dk5 s SER 35 Ca 0.19 1.73 0.02 0.00 0.48 0.00 0.00 55.95 58.36 3dk5 s SER 35 Cb -0.08 -2.44 0.56 0.00 0.10 0.00 0.00 66.02 64.16 3dk5 s SER 35 CO 0.09 -2.12 1.88 0.24 0.98 0.00 0.00 173.24 174.31 3dk5 h MET 36 N -1.19 0.97 -0.55 4.02 0.00 -1.12 -0.82 114.93 116.24 3dk5 h MET 36 Ca -0.45 -0.06 -0.07 0.00 0.00 0.00 0.00 59.70 59.12 3dk5 h MET 36 Cb 1.24 -0.22 -0.02 0.00 0.00 0.00 0.00 31.60 32.60 3dk5 h MET 36 CO 0.52 0.64 0.05 1.25 0.00 0.00 0.00 176.91 179.38 3dk5 h LEU 37 N 1.00 0.87 -0.41 1.22 5.85 -1.53 0.12 115.31 122.43 3dk5 h LEU 37 Ca 0.43 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.78 3dk5 h LEU 37 Cb 0.34 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3dk5 h LEU 37 CO -0.19 0.90 -0.51 -1.28 -0.34 0.00 0.00 178.44 177.02 3dk5 h SER 38 N 0.85 0.84 -0.18 1.25 0.87 -1.57 0.10 113.55 115.71 3dk5 h SER 38 Ca 0.17 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 3dk5 h SER 38 Cb 0.43 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3dk5 h SER 38 CO 0.01 1.20 0.09 0.45 -0.53 0.00 0.00 176.83 178.06 3dk5 h HIS 39 N 0.60 0.26 0.16 2.24 3.86 -0.93 0.45 115.15 121.79 3dk5 h HIS 39 Ca 0.02 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3dk5 h HIS 39 Cb 1.09 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.45 3dk5 h HIS 39 CO 0.06 0.28 -0.24 0.28 0.86 0.00 0.00 177.93 179.17 3dk5 h VAL 40 N 0.17 0.48 0.00 2.45 2.07 -0.54 -2.98 116.25 117.90 3dk5 h VAL 40 Ca 0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 3dk5 h VAL 40 Cb 0.11 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3dk5 h VAL 40 CO -0.01 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.24 3dk5 h LEU 41 N -0.46 0.00 -0.63 2.57 3.38 -0.74 -2.87 115.31 116.56 3dk5 h LEU 41 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3dk5 h LEU 41 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3dk5 h LEU 41 CO -0.10 0.27 0.20 0.45 0.09 0.00 0.00 178.44 179.35 3dk5 h HIS 42 N 0.00 1.00 -0.46 1.13 3.86 -0.88 -1.34 115.15 118.46 3dk5 h HIS 42 Ca -0.00 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 3dk5 h HIS 42 Cb 0.50 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 3dk5 h HIS 42 CO 0.00 0.82 0.14 0.00 0.86 0.00 0.00 177.93 179.75 3dk5 h ALA 43 N 1.07 0.61 -0.43 2.45 0.00 -1.38 -2.43 119.26 119.15 3dk5 h ALA 43 Ca 0.20 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3dk5 h ALA 43 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dk5 h ALA 43 CO -0.01 0.26 -0.31 0.82 0.00 0.00 0.00 179.25 180.01 3dk5 h ILE 44 N 0.61 1.27 -0.52 0.00 2.04 -1.52 -2.70 117.51 116.69 3dk5 h ILE 44 Ca 0.15 -1.49 -0.08 0.00 1.00 0.00 0.00 64.86 64.44 3dk5 h ILE 44 Cb 0.27 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3dk5 h ILE 44 CO -0.00 0.50 -0.00 0.00 0.00 0.00 0.00 178.15 178.65 3dk5 h ALA 45 N 0.81 1.02 -0.80 1.87 0.00 -1.26 0.63 119.26 121.52 3dk5 h ALA 45 Ca 0.08 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 54.86 3dk5 h ALA 45 Cb 0.91 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3dk5 h ALA 45 CO 0.08 0.60 0.53 0.87 0.00 0.00 0.00 179.25 181.34 3dk5 h LYS 46 N 0.81 0.50 -0.27 0.00 1.57 -1.33 -2.21 116.57 115.63 3dk5 h LYS 46 Ca 0.15 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 3dk5 h LYS 46 Cb 0.49 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3dk5 h LYS 46 CO 0.02 0.33 -0.49 1.25 -0.57 0.00 0.00 179.45 179.99 3dk5 h LEU 47 N 0.51 0.80 -2.36 2.94 5.85 -0.61 -3.49 115.31 118.95 3dk5 h LEU 47 Ca 0.40 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dk5 h LEU 47 Cb 0.81 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3dk5 h LEU 47 CO -0.15 1.15 -0.06 0.00 -0.34 0.00 0.00 178.44 179.04 3dk5 n ALA 48 N -2.54 -2.56 -1.92 1.25 0.00 -0.37 -5.03 120.51 109.34 3dk5 n ALA 48 Ca -0.03 0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 3dk5 n ALA 48 Cb 0.58 -1.78 0.12 0.00 0.00 0.00 0.00 19.45 18.37 3dk5 n ALA 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dk5 s PRO 49 N -2.95 1.59 0.08 0.00 0.04 -1.26 -4.98 135.00 127.51 3dk5 s PRO 49 Ca 0.03 -0.19 0.07 0.00 0.04 0.00 0.00 61.00 60.95 3dk5 s PRO 49 Cb -0.01 -1.98 -0.22 0.00 0.04 0.00 0.00 34.50 32.33 3dk5 s PRO 49 CO 0.75 -1.77 1.12 1.96 0.04 0.00 0.00 177.00 179.10 3dk5 h GLN 50 N -1.12 0.03 -4.54 4.56 7.50 -1.73 -3.44 115.11 116.37 3dk5 h GLN 50 Ca -0.45 -0.05 -0.48 0.00 0.50 0.00 0.00 58.65 58.17 3dk5 h GLN 50 Cb 1.29 0.02 -0.33 0.00 0.05 0.00 0.00 27.48 28.52 3dk5 h GLN 50 CO 0.55 0.91 -0.80 1.03 -1.50 0.00 0.00 178.83 179.02 3dk5 s ARG 51 N -2.68 1.37 -0.10 1.46 1.81 -1.13 -5.02 118.95 114.66 3dk5 s ARG 51 Ca -0.01 -0.35 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 3dk5 s ARG 51 Cb 0.09 -1.20 0.02 0.00 -0.45 0.00 0.00 34.95 33.42 3dk5 s ARG 51 CO 0.83 0.05 -0.09 -1.17 -0.68 0.00 0.00 175.30 174.24 3dk5 s LEU 52 N 0.52 1.35 -0.01 2.53 2.96 -1.26 -0.06 118.68 124.70 3dk5 s LEU 52 Ca -0.10 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3dk5 s LEU 52 Cb -0.13 -0.84 0.00 0.00 0.50 0.00 0.00 46.19 45.72 3dk5 s LEU 52 CO 0.02 -0.07 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.30 3dk5 s ILE 53 N 1.36 0.49 -0.07 6.68 1.01 -0.46 -1.85 121.20 128.36 3dk5 s ILE 53 Ca -0.01 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.46 3dk5 s ILE 53 Cb -0.14 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 3dk5 s ILE 53 CO -0.05 0.16 -0.22 -0.69 0.00 0.00 0.00 174.94 174.15 3dk5 s VAL 54 N 0.14 1.84 -0.15 2.92 1.01 -0.58 -0.91 120.40 124.67 3dk5 s VAL 54 Ca -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 3dk5 s VAL 54 Cb -0.06 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3dk5 s VAL 54 CO -0.00 0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 174.91 3dk5 s VAL 55 N 0.18 4.13 0.20 2.92 1.01 -0.76 -1.54 120.40 126.54 3dk5 s VAL 55 Ca -0.11 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3dk5 s VAL 55 Cb -0.15 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3dk5 s VAL 55 CO 0.06 0.50 -0.16 -0.76 0.00 0.00 0.00 175.10 174.74 3dk5 s LEU 56 N 0.16 2.52 0.00 3.92 1.43 -0.79 -1.08 118.68 124.85 3dk5 s LEU 56 Ca -0.00 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 3dk5 s LEU 56 Cb -0.13 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.35 3dk5 s LEU 56 CO 0.02 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3dk5 n GLY 57 N -0.19 0.70 3.61 -3.19 0.00 -1.25 -1.53 105.19 103.34 3dk5 n GLY 57 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3dk5 n GLY 57 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dk5 s HIS 58 N 0.37 1.60 0.00 1.61 -3.43 -1.26 -4.79 115.29 109.39 3dk5 s HIS 58 Ca 0.00 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.72 3dk5 s HIS 58 Cb 0.00 -4.04 0.00 0.00 -1.43 0.00 0.00 32.58 27.11 3dk5 s HIS 58 CO 0.00 -3.61 0.00 -0.40 -2.00 0.00 0.00 174.74 168.73 3dk5 n ASP 59 N 10.06 2.85 0.14 7.38 5.75 -1.26 -4.64 116.55 136.83 3dk5 n ASP 59 Ca 0.24 -0.15 -0.14 0.00 -0.01 0.00 0.00 54.79 54.73 3dk5 n ASP 59 Cb 0.45 0.87 -0.08 0.00 -1.03 0.00 0.00 41.12 41.33 3dk5 n ASP 59 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3dk5 h HIS 60 N 0.00 -0.29 0.20 2.11 3.86 -2.01 0.38 115.15 119.39 3dk5 h HIS 60 Ca 0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3dk5 h HIS 60 Cb 0.00 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 3dk5 h HIS 60 CO 0.00 -0.06 -0.27 0.37 0.86 0.00 0.00 177.93 178.83 3dk5 h GLN 61 N -0.48 -0.50 0.32 2.45 4.15 -2.00 -3.30 115.11 115.73 3dk5 h GLN 61 Ca -0.03 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3dk5 h GLN 61 Cb 0.36 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3dk5 h GLN 61 CO 0.05 -0.34 -0.26 0.00 -1.93 0.00 0.00 178.83 176.36 3dk5 h ARG 62 N -0.52 -0.54 -1.01 1.69 3.08 -1.82 -3.30 114.38 111.96 3dk5 h ARG 62 Ca 0.01 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.34 3dk5 h ARG 62 Cb 0.51 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.59 3dk5 h ARG 62 CO -0.10 -0.36 0.64 0.82 -1.07 0.00 0.00 179.97 179.90 3dk5 h ILE 63 N -0.56 0.58 -0.31 2.04 2.04 -0.32 0.30 117.51 121.27 3dk5 h ILE 63 Ca -0.04 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.70 3dk5 h ILE 63 Cb 0.47 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 3dk5 h ILE 63 CO -0.00 0.08 -0.53 0.00 0.00 0.00 0.00 178.15 177.70 3dk5 h ALA 64 N 1.63 -0.80 0.00 1.87 0.00 -1.67 -2.79 119.26 117.49 3dk5 h ALA 64 Ca 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3dk5 h ALA 64 Cb 1.34 1.08 0.00 0.00 0.00 0.00 0.00 17.79 20.21 3dk5 h ALA 64 CO -0.29 -1.04 0.00 -1.35 0.00 0.00 0.00 179.25 176.57 3dk5 h PRO 65 N -0.44 0.00 -6.53 0.00 0.11 -0.52 -3.27 132.00 121.35 3dk5 h PRO 65 Ca 0.06 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.65 3dk5 h PRO 65 Cb 0.60 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 3dk5 h PRO 65 CO -0.53 0.00 0.23 -0.51 -0.21 0.00 0.00 178.00 176.98 3dk5 s LEU 66 N -4.97 4.57 0.00 2.35 1.43 -1.06 -3.05 118.68 117.95 3dk5 s LEU 66 Ca -0.01 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3dk5 s LEU 66 Cb 0.08 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3dk5 s LEU 66 CO 0.30 0.14 0.00 0.55 0.23 0.00 0.00 176.35 177.57 3dk5 n VAL 67 N 1.90 0.00 -1.65 -1.59 3.14 -1.26 -4.60 118.33 114.27 3dk5 n VAL 67 Ca -0.04 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.93 3dk5 n VAL 67 Cb 0.49 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.24 3dk5 n VAL 67 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3dk5 s GLY 68 N 0.00 0.29 0.00 7.55 0.00 -1.23 -1.00 107.32 112.92 3dk5 s GLY 68 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.22 3dk5 s GLY 68 CO 0.00 3.83 0.00 1.18 0.00 0.00 0.00 173.10 178.11 3dk5 n GLU 69 N 8.81 0.00 -0.13 2.90 1.02 -1.26 -3.96 120.64 128.01 3dk5 n GLU 69 Ca 0.31 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.19 3dk5 n GLU 69 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.79 3dk5 n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dk5 n LEU 70 N 0.00 2.31 0.01 -4.62 4.77 -1.17 -2.63 117.00 115.66 3dk5 n LEU 70 Ca 0.00 0.18 0.01 0.00 -0.03 0.00 0.00 56.01 56.17 3dk5 n LEU 70 Cb 0.00 -0.86 0.33 0.00 -2.33 0.00 0.00 43.42 40.57 3dk5 n LEU 70 CO 0.00 0.70 0.99 0.00 -1.33 0.00 0.00 177.39 177.75 3dk5 h ALA 71 N -0.64 1.46 0.21 -1.18 0.00 -1.61 0.11 119.26 117.61 3dk5 h ALA 71 Ca -0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 3dk5 h ALA 71 Cb 1.71 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3dk5 h ALA 71 CO -0.31 0.39 -0.10 -0.44 0.00 0.00 0.00 179.25 178.80 3dk5 h ASP 72 N 0.50 -0.24 -1.08 0.00 3.32 -1.27 0.53 116.42 118.19 3dk5 h ASP 72 Ca 0.12 0.01 0.41 0.00 0.02 0.00 0.00 57.03 57.58 3dk5 h ASP 72 Cb 0.23 0.06 -0.16 0.00 0.22 0.00 0.00 39.33 39.68 3dk5 h ASP 72 CO 0.00 -0.10 0.62 0.74 -1.72 0.00 0.00 179.24 178.78 3dk5 h THR 73 N -0.41 0.08 0.00 0.35 2.02 -1.44 2.25 112.91 115.76 3dk5 h THR 73 Ca -0.03 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3dk5 h THR 73 Cb 0.21 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3dk5 h THR 73 CO 0.05 0.01 -0.47 0.18 0.37 0.00 0.00 175.52 175.66 3dk5 n LEU 74 N -5.10 0.49 -3.37 2.58 4.77 0.38 -4.99 117.00 111.77 3dk5 n LEU 74 Ca 0.37 0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.30 3dk5 n LEU 74 Cb 1.27 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 42.19 3dk5 n LEU 74 CO 0.07 0.06 0.09 0.61 -1.33 0.00 0.00 177.39 176.89 3dk5 n GLY 75 N 1.46 -0.51 3.75 -0.72 0.00 0.76 -5.02 105.19 104.91 3dk5 n GLY 75 Ca 0.05 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 3dk5 n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dk5 s ARG 76 N -5.15 1.96 -0.07 1.61 1.70 0.28 -5.01 118.95 114.27 3dk5 s ARG 76 Ca 0.09 -1.31 -0.17 0.00 -0.47 0.00 0.00 55.73 53.87 3dk5 s ARG 76 Cb -0.01 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.90 3dk5 s ARG 76 CO 0.72 -0.89 0.44 0.99 -1.08 0.00 0.00 175.30 175.49 3dk5 s THR 77 N -3.14 5.12 -0.22 4.99 2.01 -1.26 -4.39 115.64 118.75 3dk5 s THR 77 Ca 0.17 0.89 0.01 0.00 0.31 0.00 0.00 61.69 63.07 3dk5 s THR 77 Cb -0.04 -3.77 0.05 0.00 0.01 0.00 0.00 72.50 68.75 3dk5 s THR 77 CO 0.11 0.43 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.77 3dk5 s ILE 78 N -0.08 1.57 0.52 1.82 1.01 -1.26 -4.47 121.20 120.31 3dk5 s ILE 78 Ca 0.24 -1.12 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 3dk5 s ILE 78 Cb -0.16 -1.75 -0.08 0.00 0.01 0.00 0.00 42.46 40.48 3dk5 s ILE 78 CO 0.11 0.02 0.99 -1.81 0.00 0.00 0.00 174.94 174.25 3dk5 s ASP 79 N 1.40 6.60 -0.04 3.58 1.01 -0.77 -4.80 116.67 123.64 3dk5 s ASP 79 Ca -0.04 1.58 0.05 0.00 0.71 0.00 0.00 52.55 54.85 3dk5 s ASP 79 Cb -0.18 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 3dk5 s ASP 79 CO -0.07 -0.60 -0.19 -0.69 0.21 0.00 0.00 175.17 173.82 3dk5 s VAL 80 N -2.62 1.59 0.03 -1.27 1.01 -1.26 -1.52 120.40 116.35 3dk5 s VAL 80 Ca 0.59 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.84 3dk5 s VAL 80 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3dk5 s VAL 80 CO 0.31 0.45 -0.23 0.00 0.00 0.00 0.00 175.10 175.64 3dk5 s ALA 81 N -0.04 1.92 0.18 5.51 0.00 -0.59 -4.93 121.76 123.80 3dk5 s ALA 81 Ca -0.03 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 50.90 3dk5 s ALA 81 Cb -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3dk5 s ALA 81 CO 0.02 0.45 0.15 -0.51 0.00 0.00 0.00 175.76 175.87 3dk5 s LEU 82 N -1.00 3.82 -0.33 0.00 1.02 -1.26 -1.88 118.68 119.05 3dk5 s LEU 82 Ca 0.09 -0.14 -0.00 0.00 0.02 0.00 0.00 54.13 54.10 3dk5 s LEU 82 Cb -0.09 -2.41 0.11 0.00 0.02 0.00 0.00 46.19 43.81 3dk5 s LEU 82 CO 0.01 0.05 0.12 -1.58 0.02 0.00 0.00 176.35 174.97 3dk5 s GLN 83 N -3.22 0.84 0.12 1.70 0.74 -0.59 -4.87 119.66 114.38 3dk5 s GLN 83 Ca 0.31 -1.27 -0.13 0.00 0.05 0.00 0.00 55.36 54.32 3dk5 s GLN 83 Cb -0.10 -2.10 -0.07 0.00 1.10 0.00 0.00 33.01 31.85 3dk5 s GLN 83 CO 0.24 -1.01 1.44 -0.44 -0.55 0.00 0.00 175.29 174.97 3dk5 h ASP 84 N 7.84 0.85 -3.51 6.67 3.32 -1.95 -3.42 116.42 126.22 3dk5 h ASP 84 Ca -0.11 -0.47 -0.67 0.00 0.02 0.00 0.00 57.03 55.80 3dk5 h ASP 84 Cb 1.00 -0.24 -0.19 0.00 0.22 0.00 0.00 39.33 40.13 3dk5 h ASP 84 CO 0.47 1.14 -0.67 -0.13 -1.72 0.00 0.00 179.24 178.33 3dk5 s ARG 85 N -4.39 3.00 -0.84 3.56 1.81 -1.26 -5.01 118.95 115.82 3dk5 s ARG 85 Ca -0.12 -0.51 -0.14 0.00 -1.72 0.00 0.00 55.73 53.24 3dk5 s ARG 85 Cb 0.10 -2.70 -0.10 0.00 -0.45 0.00 0.00 34.95 31.79 3dk5 s ARG 85 CO 0.85 0.58 2.01 -2.30 -0.68 0.00 0.00 175.30 175.76 3dk5 n PRO 86 N 2.48 1.79 0.12 3.54 -0.02 -1.26 -4.69 135.00 136.95 3dk5 n PRO 86 Ca -0.18 -1.65 -0.03 0.00 -2.02 0.00 0.00 63.50 59.62 3dk5 n PRO 86 Cb 0.53 -2.69 0.09 0.00 -0.02 0.00 0.00 33.50 31.42 3dk5 n PRO 86 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dk5 h LEU 87 N 11.04 0.00 0.00 2.45 3.38 -1.94 -3.48 115.31 126.76 3dk5 h LEU 87 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3dk5 h LEU 87 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3dk5 h LEU 87 CO 1.70 0.71 0.00 0.61 0.09 0.00 0.00 178.44 181.55 3dk5 n GLY 88 N 0.56 0.80 0.24 0.83 0.00 -1.26 -0.08 105.19 106.29 3dk5 n GLY 88 Ca -0.01 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.74 3dk5 n GLY 88 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dk5 h THR 89 N 0.00 1.28 -0.57 2.61 1.35 -1.88 -1.57 112.91 114.13 3dk5 h THR 89 Ca 0.00 -1.79 0.11 0.00 -0.55 0.00 0.00 66.41 64.18 3dk5 h THR 89 Cb 0.00 1.71 -0.08 0.00 -1.73 0.00 0.00 68.15 68.05 3dk5 h THR 89 CO 0.00 0.58 0.11 1.23 -0.25 0.00 0.00 175.52 177.18 3dk5 h GLY 90 N 0.74 0.71 0.93 5.82 0.00 -1.41 -0.07 103.07 109.79 3dk5 h GLY 90 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3dk5 h GLY 90 CO 0.13 -0.11 -0.26 0.84 0.00 0.00 0.00 176.54 177.14 3dk5 h HIS 91 N 0.24 0.77 -0.82 5.60 6.17 -1.64 -2.03 115.15 123.44 3dk5 h HIS 91 Ca 0.30 -0.23 0.19 0.00 0.71 0.00 0.00 60.37 61.34 3dk5 h HIS 91 Cb 0.43 -0.16 -0.12 0.00 2.52 0.00 0.00 27.41 30.08 3dk5 h HIS 91 CO -0.25 0.95 0.29 0.00 0.71 0.00 0.00 177.93 179.62 3dk5 h ALA 92 N 0.69 1.20 -0.55 5.26 0.00 -1.07 0.51 119.26 125.31 3dk5 h ALA 92 Ca 0.04 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3dk5 h ALA 92 Cb 0.82 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3dk5 h ALA 92 CO 0.06 -0.33 -0.10 0.28 0.00 0.00 0.00 179.25 179.16 3dk5 h VAL 93 N 0.34 1.27 -0.03 0.00 2.07 -0.78 -0.81 116.25 118.31 3dk5 h VAL 93 Ca 0.49 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3dk5 h VAL 93 Cb 0.88 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3dk5 h VAL 93 CO -0.52 0.44 -0.04 0.25 0.02 0.00 0.00 177.57 177.73 3dk5 h LEU 94 N 0.91 -0.11 -0.71 2.57 5.85 -0.08 -1.59 115.31 122.15 3dk5 h LEU 94 Ca 0.14 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.02 3dk5 h LEU 94 Cb 0.66 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.65 3dk5 h LEU 94 CO 0.05 -0.05 0.23 0.00 -0.34 0.00 0.00 178.44 178.33 3dk5 h GLY 96 N 0.36 0.00 2.00 0.00 0.00 -0.66 -3.10 103.07 101.66 3dk5 h GLY 96 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 3dk5 h GLY 96 CO -0.43 0.00 -0.32 1.41 0.00 0.00 0.00 176.54 177.20 3dk5 h LEU 97 N 0.00 0.00 -2.83 3.11 3.38 -0.30 -3.09 115.31 115.58 3dk5 h LEU 97 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dk5 h LEU 97 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dk5 h LEU 97 CO 0.01 0.32 0.02 0.77 0.09 0.00 0.00 178.44 179.65 3dk5 h SER 98 N 0.00 0.00 0.29 -0.43 4.64 -1.48 0.01 113.55 116.58 3dk5 h SER 98 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dk5 h SER 98 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3dk5 h SER 98 CO 0.04 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.92 3dk5 n ALA 99 N -2.13 2.73 -2.58 5.18 0.00 -1.17 -4.79 120.51 117.76 3dk5 n ALA 99 Ca -0.03 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 3dk5 n ALA 99 Cb 0.09 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 3dk5 n ALA 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dk5 s LEU 100 N -2.38 4.29 0.21 0.00 1.43 -0.01 -5.06 118.68 117.16 3dk5 s LEU 100 Ca 0.32 0.75 -0.32 0.00 -1.03 0.00 0.00 54.13 53.85 3dk5 s LEU 100 Cb 0.20 -3.23 -0.13 0.00 0.03 0.00 0.00 46.19 43.06 3dk5 s LEU 100 CO 0.45 0.08 1.58 -0.81 0.23 0.00 0.00 176.35 177.88 3dk5 n PRO 101 N 0.42 2.38 -0.44 1.29 -0.04 -1.26 -4.82 135.00 132.52 3dk5 n PRO 101 Ca -0.04 0.85 0.36 0.00 -0.04 0.00 0.00 63.50 64.63 3dk5 n PRO 101 Cb 0.52 -2.62 0.66 0.00 -0.04 0.00 0.00 33.50 32.02 3dk5 n PRO 101 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3dk5 h ASP 102 N 5.60 0.22 -0.63 3.54 3.32 -1.92 0.36 116.42 126.91 3dk5 h ASP 102 Ca -0.45 0.09 -0.35 0.00 0.02 0.00 0.00 57.03 56.34 3dk5 h ASP 102 Cb 1.24 0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.67 3dk5 h ASP 102 CO 0.86 -0.08 0.45 -0.90 -1.72 0.00 0.00 179.24 177.85 3dk5 n ASP 103 N -4.52 4.41 -4.72 6.45 5.75 -1.26 -4.97 116.55 117.69 3dk5 n ASP 103 Ca 0.34 -3.08 -0.42 0.00 -0.01 0.00 0.00 54.79 51.62 3dk5 n ASP 103 Cb 1.37 -0.80 -0.03 0.00 -1.03 0.00 0.00 41.12 40.63 3dk5 n ASP 103 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3dk5 s TYR 104 N -2.16 3.18 -0.13 2.11 5.04 0.13 -4.96 117.35 120.56 3dk5 s TYR 104 Ca 0.37 0.86 -0.06 0.00 -2.44 0.00 0.00 57.07 55.80 3dk5 s TYR 104 Cb 0.31 -3.75 -0.03 0.00 0.35 0.00 0.00 41.96 38.84 3dk5 s TYR 104 CO 0.05 -2.66 -0.05 0.00 -1.34 0.00 0.00 175.55 171.55 3dk5 h ALA 105 N 6.84 0.01 -2.94 3.97 0.00 -1.93 -3.47 119.26 121.74 3dk5 h ALA 105 Ca -0.42 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 53.85 3dk5 h ALA 105 Cb 1.21 0.27 0.19 0.00 0.00 0.00 0.00 17.79 19.46 3dk5 h ALA 105 CO 0.88 0.27 -0.16 0.41 0.00 0.00 0.00 179.25 180.65 3dk5 n GLY 106 N 1.68 -3.92 3.76 0.00 0.00 -1.26 -4.75 105.19 100.71 3dk5 n GLY 106 Ca -0.05 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 3dk5 n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dk5 s ASN 107 N -2.96 4.32 -0.10 1.61 0.01 -0.81 -4.09 114.94 112.92 3dk5 s ASN 107 Ca 0.60 1.75 0.00 0.00 -0.71 0.00 0.00 52.86 54.49 3dk5 s ASN 107 Cb -0.11 -2.44 0.02 0.00 0.41 0.00 0.00 41.25 39.13 3dk5 s ASN 107 CO 0.50 -2.14 -0.09 -0.69 -1.51 0.00 0.00 177.10 173.17 3dk5 s VAL 108 N -2.92 1.06 -0.13 1.60 1.01 -0.90 -1.46 120.40 118.66 3dk5 s VAL 108 Ca 0.61 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 3dk5 s VAL 108 Cb -0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3dk5 s VAL 108 CO 0.56 0.36 -0.04 -0.69 0.00 0.00 0.00 175.10 175.30 3dk5 s VAL 109 N 1.42 3.92 -0.09 2.92 1.01 -0.53 -0.58 120.40 128.46 3dk5 s VAL 109 Ca -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3dk5 s VAL 109 Cb -0.13 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3dk5 s VAL 109 CO -0.05 0.53 -0.23 -0.69 0.00 0.00 0.00 175.10 174.66 3dk5 s VAL 110 N -0.04 1.98 0.20 2.92 1.01 0.69 -0.71 120.40 126.45 3dk5 s VAL 110 Ca 0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3dk5 s VAL 110 Cb -0.13 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3dk5 s VAL 110 CO 0.03 0.54 0.12 0.28 0.00 0.00 0.00 175.10 176.07 3dk5 s THR 111 N 0.33 0.05 0.44 3.92 -1.32 -0.59 -2.09 115.64 116.37 3dk5 s THR 111 Ca -0.17 -1.99 0.07 0.00 -1.21 0.00 0.00 61.69 58.39 3dk5 s THR 111 Cb -0.17 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.34 3dk5 s THR 111 CO 0.08 -0.05 0.38 -0.44 -2.21 0.00 0.00 174.62 172.39 3dk5 s SER 112 N -3.16 4.96 0.00 8.08 0.01 -1.26 -0.36 113.70 121.97 3dk5 s SER 112 Ca 0.37 -0.83 0.21 0.00 1.31 0.00 0.00 55.95 57.02 3dk5 s SER 112 Cb 0.07 -0.42 0.53 0.00 0.21 0.00 0.00 66.02 66.41 3dk5 s SER 112 CO 0.11 -0.72 1.45 0.61 0.41 0.00 0.00 173.24 175.10 3dk5 n GLY 113 N -1.58 1.62 0.95 3.44 0.00 -1.09 -4.45 105.19 104.08 3dk5 n GLY 113 Ca 0.03 -0.67 0.02 0.00 0.00 0.00 0.00 46.02 45.40 3dk5 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dk5 n ASP 114 N 1.26 3.02 -3.99 1.61 5.68 -1.26 -3.90 116.55 118.97 3dk5 n ASP 114 Ca 0.20 -3.41 -0.32 0.00 -0.50 0.00 0.00 54.79 50.76 3dk5 n ASP 114 Cb 0.53 -0.58 -0.13 0.00 -1.14 0.00 0.00 41.12 39.81 3dk5 n ASP 114 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3dk5 s THR 115 N -3.05 2.95 -1.82 2.12 2.01 -1.26 -1.38 115.64 115.21 3dk5 s THR 115 Ca 0.42 -3.26 0.30 0.00 0.31 0.00 0.00 61.69 59.47 3dk5 s THR 115 Cb 0.37 -3.00 0.75 0.00 0.01 0.00 0.00 72.50 70.63 3dk5 s THR 115 CO 0.04 -0.83 2.09 -0.81 -0.69 0.00 0.00 174.62 174.42 3dk5 n PRO 116 N 3.17 0.78 -0.01 4.92 -0.04 -1.26 -3.43 135.00 139.14 3dk5 n PRO 116 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 3dk5 n PRO 116 Cb 0.34 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 3dk5 n PRO 116 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dk5 n LEU 117 N -1.09 0.16 -4.68 1.53 4.32 -1.26 -4.71 117.00 111.27 3dk5 n LEU 117 Ca 0.20 -0.12 -0.44 0.00 -0.02 0.00 0.00 56.01 55.62 3dk5 n LEU 117 Cb 0.14 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.91 3dk5 n LEU 117 CO 0.19 0.04 1.10 -0.11 -1.22 0.00 0.00 177.39 177.39 3dk5 n LEU 118 N -1.85 3.32 -4.59 2.23 7.94 -0.32 -4.73 117.00 119.00 3dk5 n LEU 118 Ca -0.01 1.13 -0.27 0.00 -1.11 0.00 0.00 56.01 55.74 3dk5 n LEU 118 Cb 0.34 -1.46 -0.11 0.00 0.53 0.00 0.00 43.42 42.73 3dk5 n LEU 118 CO 0.30 -0.32 -0.28 1.51 -1.11 0.00 0.00 177.39 177.49 3dk5 s ASP 119 N 0.49 3.54 0.44 1.96 -4.77 -1.26 -4.79 116.67 112.28 3dk5 s ASP 119 Ca 0.70 -1.39 0.10 0.00 -3.30 0.00 0.00 52.55 48.66 3dk5 s ASP 119 Cb -0.63 -0.27 0.97 0.00 -1.09 0.00 0.00 42.92 41.91 3dk5 s ASP 119 CO 0.46 -0.51 2.08 0.00 0.70 0.00 0.00 175.17 177.90 3dk5 h ALA 120 N 1.83 1.78 -0.33 2.11 0.00 -1.94 -2.82 119.26 119.89 3dk5 h ALA 120 Ca -0.43 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3dk5 h ALA 120 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3dk5 h ALA 120 CO 0.78 0.20 0.09 -0.44 0.00 0.00 0.00 179.25 179.88 3dk5 h ASP 121 N 0.38 0.49 -0.83 0.00 3.32 -1.96 -1.22 116.42 116.60 3dk5 h ASP 121 Ca 0.10 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3dk5 h ASP 121 Cb -0.03 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3dk5 h ASP 121 CO -0.02 0.58 0.43 0.74 -1.72 0.00 0.00 179.24 179.25 3dk5 h THR 122 N 0.38 1.25 -0.29 0.35 2.02 -1.92 0.05 112.91 114.75 3dk5 h THR 122 Ca 0.11 -0.66 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 3dk5 h THR 122 Cb 0.27 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3dk5 h THR 122 CO -0.00 0.29 -0.24 -0.07 0.37 0.00 0.00 175.52 175.87 3dk5 h LEU 123 N 1.16 0.55 -0.23 2.58 3.38 -1.31 -2.79 115.31 118.65 3dk5 h LEU 123 Ca 0.29 -0.19 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 3dk5 h LEU 123 Cb 0.07 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.68 3dk5 h LEU 123 CO -0.04 0.78 -0.74 0.00 0.09 0.00 0.00 178.44 178.53 3dk5 h ALA 124 N 1.26 0.39 -0.19 1.53 0.00 -0.47 -2.59 119.26 119.21 3dk5 h ALA 124 Ca 0.07 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 3dk5 h ALA 124 Cb 0.67 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3dk5 h ALA 124 CO 0.05 0.70 -0.19 -0.44 0.00 0.00 0.00 179.25 179.37 3dk5 h ASP 125 N 0.51 0.31 -0.15 0.00 3.32 -0.99 -1.61 116.42 117.81 3dk5 h ASP 125 Ca -0.04 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3dk5 h ASP 125 Cb 1.35 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 3dk5 h ASP 125 CO 0.15 0.52 -0.03 0.25 -1.72 0.00 0.00 179.24 178.41 3dk5 h LEU 126 N 0.29 0.29 -0.72 1.55 5.85 -1.29 -1.29 115.31 119.99 3dk5 h LEU 126 Ca 0.05 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3dk5 h LEU 126 Cb 0.50 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3dk5 h LEU 126 CO 0.03 0.57 0.33 0.40 -0.34 0.00 0.00 178.44 179.44 3dk5 h ILE 127 N -0.01 1.24 0.37 4.05 2.04 -1.37 -2.37 117.51 121.46 3dk5 h ILE 127 Ca 0.04 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3dk5 h ILE 127 Cb 0.45 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3dk5 h ILE 127 CO 0.01 0.29 -0.18 0.00 0.00 0.00 0.00 178.15 178.28 3dk5 h ALA 128 N 1.16 -0.49 -0.54 1.87 0.00 -1.22 -1.98 119.26 118.05 3dk5 h ALA 128 Ca 0.25 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3dk5 h ALA 128 Cb 0.15 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3dk5 h ALA 128 CO -0.03 -0.75 0.36 1.15 0.00 0.00 0.00 179.25 179.98 3dk5 h THR 129 N -0.54 0.94 -0.02 0.00 2.02 -1.14 -1.51 112.91 112.66 3dk5 h THR 129 Ca -0.05 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3dk5 h THR 129 Cb 0.41 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3dk5 h THR 129 CO 0.08 0.08 -0.09 -0.74 0.37 0.00 0.00 175.52 175.22 3dk5 h HIS 130 N 0.43 0.13 -0.76 3.16 6.17 -1.20 -2.85 115.15 120.22 3dk5 h HIS 130 Ca 0.24 -0.06 -0.03 0.00 0.71 0.00 0.00 60.37 61.23 3dk5 h HIS 130 Cb 0.40 -0.02 -0.04 0.00 2.52 0.00 0.00 27.41 30.28 3dk5 h HIS 130 CO -0.00 0.76 0.35 0.00 0.71 0.00 0.00 177.93 179.74 3dk5 h ARG 131 N -0.54 1.10 -0.66 5.26 3.08 -1.32 -2.56 114.38 118.75 3dk5 h ARG 131 Ca -0.01 -0.17 0.09 0.00 0.07 0.00 0.00 59.98 59.97 3dk5 h ARG 131 Cb 0.77 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 3dk5 h ARG 131 CO 0.02 0.86 0.29 0.00 -1.07 0.00 0.00 179.97 180.07 3dk5 h ALA 132 N 1.29 0.88 -0.58 0.04 0.00 -1.16 -2.74 119.26 117.00 3dk5 h ALA 132 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3dk5 h ALA 132 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dk5 h ALA 132 CO -0.03 -0.12 0.00 1.33 0.00 0.00 0.00 179.25 180.43 3dk5 n VAL 133 N -4.93 0.84 -3.12 0.00 0.24 -1.09 -5.04 118.33 105.23 3dk5 n VAL 133 Ca 0.10 -0.92 -0.00 0.00 -2.04 0.00 0.00 64.34 61.48 3dk5 n VAL 133 Cb 0.28 0.65 -0.00 0.00 -1.47 0.00 0.00 33.84 33.30 3dk5 n VAL 133 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dk5 n SER 134 N 1.45 -7.06 -0.08 -1.34 7.64 -0.99 -4.94 113.62 108.30 3dk5 n SER 134 Ca 0.21 0.71 -0.16 0.00 1.01 0.00 0.00 58.87 60.64 3dk5 n SER 134 Cb 0.59 -1.64 -0.06 0.00 -1.01 0.00 0.00 64.21 62.08 3dk5 n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dk5 n ALA 135 N 1.92 1.83 0.00 -0.43 0.00 -1.07 -4.98 120.51 117.78 3dk5 n ALA 135 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3dk5 n ALA 135 Cb 0.25 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3dk5 n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dk5 n ALA 136 N -3.48 0.00 -3.32 0.00 0.00 -1.26 -4.20 120.51 108.25 3dk5 n ALA 136 Ca -0.31 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.86 3dk5 n ALA 136 Cb 0.75 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.04 3dk5 n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dk5 s VAL 137 N 0.00 1.41 -0.01 0.00 0.11 -1.24 0.17 120.40 120.84 3dk5 s VAL 137 Ca 0.00 -0.65 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 3dk5 s VAL 137 Cb 0.00 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 3dk5 s VAL 137 CO 0.00 0.41 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.09 3dk5 s THR 138 N 0.49 2.60 -0.04 5.04 2.01 -0.26 -1.01 115.64 124.47 3dk5 s THR 138 Ca -0.14 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 60.90 3dk5 s THR 138 Cb -0.16 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 3dk5 s THR 138 CO 0.05 0.51 -0.18 0.54 -0.69 0.00 0.00 174.62 174.85 3dk5 s VAL 139 N -0.74 1.51 0.24 3.82 0.11 -0.30 -1.02 120.40 124.02 3dk5 s VAL 139 Ca 0.12 -0.77 -0.28 0.00 -2.93 0.00 0.00 61.98 58.12 3dk5 s VAL 139 Cb -0.10 -1.30 -0.09 0.00 -1.53 0.00 0.00 36.38 33.36 3dk5 s VAL 139 CO 0.01 0.43 0.90 -0.76 -3.33 0.00 0.00 175.10 172.35 3dk5 s LEU 140 N 0.00 4.57 0.21 2.54 1.43 -0.15 -2.20 118.68 125.08 3dk5 s LEU 140 Ca -0.04 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 3dk5 s LEU 140 Cb -0.12 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3dk5 s LEU 140 CO 0.02 0.13 0.10 0.42 0.23 0.00 0.00 176.35 177.25 3dk5 s THR 141 N -1.26 0.27 0.14 5.49 -4.23 -0.64 -1.14 115.64 114.27 3dk5 s THR 141 Ca 0.41 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.73 3dk5 s THR 141 Cb -0.24 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.19 3dk5 s THR 141 CO 0.29 -0.09 0.52 0.28 -0.54 0.00 0.00 174.62 175.07 3dk5 s THR 142 N -3.96 0.03 -0.05 3.99 -1.32 -1.15 -0.17 115.64 113.00 3dk5 s THR 142 Ca 0.36 -0.24 0.06 0.00 -1.21 0.00 0.00 61.69 60.65 3dk5 s THR 142 Cb 0.07 -1.07 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 3dk5 s THR 142 CO 0.11 -0.13 -0.21 0.28 -2.21 0.00 0.00 174.62 172.45 3dk5 s THR 143 N -3.73 2.41 0.44 5.08 -1.32 -1.26 -0.16 115.64 117.09 3dk5 s THR 143 Ca 0.02 -0.96 0.03 0.00 -1.21 0.00 0.00 61.69 59.57 3dk5 s THR 143 Cb 0.00 -1.89 -0.04 0.00 -1.51 0.00 0.00 72.50 69.06 3dk5 s THR 143 CO -0.12 0.58 0.05 -0.76 -2.21 0.00 0.00 174.62 172.15 3dk5 s LEU 144 N -0.42 2.30 -0.03 9.08 1.43 -1.26 -4.89 118.68 124.89 3dk5 s LEU 144 Ca 0.04 -1.57 -0.01 0.00 -1.03 0.00 0.00 54.13 51.57 3dk5 s LEU 144 Cb -0.12 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.56 3dk5 s LEU 144 CO 0.01 -0.76 -0.02 0.44 0.23 0.00 0.00 176.35 176.25 3dk5 h ASP 145 N 1.66 0.00 -3.52 2.29 3.32 -2.05 -3.43 116.42 114.69 3dk5 h ASP 145 Ca -0.41 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 55.88 3dk5 h ASP 145 Cb 1.28 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.56 3dk5 h ASP 145 CO 0.70 0.14 -0.16 -1.81 -1.72 0.00 0.00 179.24 176.39 3dk5 s ASP 146 N -3.79 6.18 0.30 6.45 1.11 -1.26 -5.07 116.67 120.59 3dk5 s ASP 146 Ca -0.02 -2.27 -0.30 0.00 0.18 0.00 0.00 52.55 50.15 3dk5 s ASP 146 Cb 0.00 -2.13 -0.12 0.00 1.07 0.00 0.00 42.92 41.74 3dk5 s ASP 146 CO 0.02 -0.66 1.44 -2.65 1.18 0.00 0.00 175.17 174.50 3dk5 n PRO 147 N 4.51 2.32 0.00 8.23 -0.02 -1.26 -5.15 135.00 143.63 3dk5 n PRO 147 Ca -0.00 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3dk5 n PRO 147 Cb 0.42 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3dk5 n PRO 147 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dk5 n PHE 148 N 1.42 0.00 -2.19 6.00 3.72 -1.26 -5.09 117.46 120.06 3dk5 n PHE 148 Ca 0.08 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.33 3dk5 n PHE 148 Cb 0.35 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 3dk5 n PHE 148 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3dk5 n TYR 150 N -1.40 -0.63 0.00 1.38 -0.00 -1.26 -4.80 117.16 110.45 3dk5 n TYR 150 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3dk5 n TYR 150 Cb 0.00 -3.05 0.00 0.00 -0.00 0.00 0.00 39.34 36.29 3dk5 n TYR 150 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3dk5 n GLY 151 N -1.03 0.00 0.00 2.98 0.00 -1.26 -4.70 105.19 101.18 3dk5 n GLY 151 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3dk5 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dk5 n ARG 152 N 0.00 0.00 0.00 1.61 3.00 -1.26 -4.89 116.66 115.12 3dk5 n ARG 152 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3dk5 n ARG 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3dk5 n ARG 152 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3dk5 n ILE 153 N -0.22 0.00 -3.83 0.55 3.06 -1.04 -2.66 119.36 115.22 3dk5 n ILE 153 Ca 0.00 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 59.89 3dk5 n ILE 153 Cb 0.00 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.05 3dk5 n ILE 153 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3dk5 s VAL 161 N -0.51 3.61 0.00 9.51 1.01 -1.26 -4.86 120.40 127.90 3dk5 s VAL 161 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3dk5 s VAL 161 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3dk5 s VAL 161 CO 0.00 0.15 0.00 1.15 0.00 0.00 0.00 175.10 176.40 3dk5 n MET 162 N 4.80 0.00 0.00 2.72 3.85 -1.26 -4.90 117.12 122.33 3dk5 n MET 162 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.55 3dk5 n MET 162 Cb 0.48 -0.34 0.00 0.00 -1.05 0.00 0.00 33.22 32.31 3dk5 n MET 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3dk5 n ALA 163 N -1.19 0.00 -3.60 3.17 0.00 -1.26 -4.80 120.51 112.83 3dk5 n ALA 163 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3dk5 n ALA 163 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3dk5 n ALA 163 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dk5 s ILE 164 N -2.18 -0.38 -0.15 0.00 1.01 -1.26 -4.49 121.20 113.75 3dk5 s ILE 164 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.68 3dk5 s ILE 164 Cb 0.00 -0.51 -0.09 0.00 0.01 0.00 0.00 42.46 41.87 3dk5 s ILE 164 CO 0.00 0.02 0.08 1.62 0.00 0.00 0.00 174.94 176.66 3dk5 h VAL 165 N 6.30 0.46 0.00 2.92 3.04 -1.85 -3.48 116.25 123.64 3dk5 h VAL 165 Ca -0.15 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 3dk5 h VAL 165 Cb 1.13 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3dk5 h VAL 165 CO 0.18 0.16 0.00 1.21 -1.01 0.00 0.00 177.57 178.11 3dk5 n GLU 179 N -4.60 0.00 -4.16 4.17 2.13 -1.26 -4.65 120.64 112.27 3dk5 n GLU 179 Ca -0.13 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.42 3dk5 n GLU 179 Cb 0.35 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.01 3dk5 n GLU 179 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3dk5 s VAL 180 N 0.00 1.80 -0.24 6.31 -7.23 0.77 -2.50 120.40 119.31 3dk5 s VAL 180 Ca 0.00 -1.67 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 3dk5 s VAL 180 Cb 0.00 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 3dk5 s VAL 180 CO 0.00 0.00 0.56 0.21 -0.31 0.00 0.00 175.10 175.56 3dk5 s ASN 181 N -4.05 6.54 0.48 4.85 2.47 -1.26 -2.95 114.94 121.00 3dk5 s ASN 181 Ca 0.30 0.65 0.16 0.00 0.42 0.00 0.00 52.86 54.40 3dk5 s ASN 181 Cb 0.01 -2.31 1.14 0.00 -1.45 0.00 0.00 41.25 38.64 3dk5 s ASN 181 CO 0.18 -0.28 2.05 0.00 -3.72 0.00 0.00 177.10 175.32 3dk5 h ALA 182 N 7.78 1.73 0.00 1.71 0.00 -1.46 -3.47 119.26 125.55 3dk5 h ALA 182 Ca -0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3dk5 h ALA 182 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dk5 h ALA 182 CO 0.74 0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.56 3dk5 n GLY 183 N -1.13 0.69 3.15 0.00 0.00 -1.26 -4.99 105.19 101.65 3dk5 n GLY 183 Ca -0.03 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 3dk5 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dk5 s VAL 184 N -2.00 1.70 -0.01 1.61 1.01 -1.26 -4.57 120.40 116.89 3dk5 s VAL 184 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3dk5 s VAL 184 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 3dk5 s VAL 184 CO 0.00 0.48 -0.09 -0.31 0.00 0.00 0.00 175.10 175.18 3dk5 s TYR 185 N 0.41 0.78 -0.05 5.22 1.51 -0.89 -0.98 117.35 123.35 3dk5 s TYR 185 Ca -0.16 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 3dk5 s TYR 185 Cb -0.17 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 3dk5 s TYR 185 CO 0.07 -0.01 0.12 0.00 -1.11 0.00 0.00 175.55 174.61 3dk5 s ALA 186 N -0.21 3.75 0.08 3.71 0.00 -0.19 -0.22 121.76 128.69 3dk5 s ALA 186 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3dk5 s ALA 186 Cb -0.03 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 3dk5 s ALA 186 CO -0.00 0.67 -0.08 -0.06 0.00 0.00 0.00 175.76 176.29 3dk5 s PHE 187 N -1.14 0.88 0.06 0.00 0.40 0.25 -1.10 117.98 117.33 3dk5 s PHE 187 Ca 0.20 -0.70 -0.28 0.00 -0.60 0.00 0.00 56.93 55.56 3dk5 s PHE 187 Cb -0.12 -0.50 -0.05 0.00 0.51 0.00 0.00 43.02 42.86 3dk5 s PHE 187 CO 0.11 -0.08 0.87 0.34 0.70 0.00 0.00 175.22 177.16 3dk5 s ASP 188 N -2.37 7.34 0.28 1.36 2.15 0.46 -2.12 116.67 123.77 3dk5 s ASP 188 Ca 0.03 1.61 -0.02 0.00 0.43 0.00 0.00 52.55 54.60 3dk5 s ASP 188 Cb -0.02 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.51 3dk5 s ASP 188 CO -0.02 -0.06 1.91 -0.29 -0.17 0.00 0.00 175.17 176.54 3dk5 h ILE 189 N 4.20 1.12 -0.18 4.11 6.09 -1.86 0.15 117.51 131.15 3dk5 h ILE 189 Ca -0.43 -0.39 -0.09 0.00 -1.37 0.00 0.00 64.86 62.58 3dk5 h ILE 189 Cb 1.21 -0.12 -0.00 0.00 0.47 0.00 0.00 36.82 38.37 3dk5 h ILE 189 CO 0.72 0.21 -0.23 0.00 -3.07 0.00 0.00 178.15 175.78 3dk5 h ALA 190 N 1.47 0.27 -0.95 0.18 0.00 -1.91 0.56 119.26 118.88 3dk5 h ALA 190 Ca 0.39 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dk5 h ALA 190 Cb 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3dk5 h ALA 190 CO -0.14 0.22 0.61 0.00 0.00 0.00 0.00 179.25 179.95 3dk5 h ALA 191 N 0.61 1.28 -0.05 0.00 0.00 -1.89 -2.55 119.26 116.66 3dk5 h ALA 191 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3dk5 h ALA 191 Cb 0.79 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dk5 h ALA 191 CO 0.05 0.44 -0.12 1.25 0.00 0.00 0.00 179.25 180.87 3dk5 h LEU 192 N 1.15 0.20 -1.54 0.00 5.85 -0.40 -1.99 115.31 118.58 3dk5 h LEU 192 Ca 0.39 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3dk5 h LEU 192 Cb 0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3dk5 h LEU 192 CO -0.15 0.75 0.34 0.03 -0.34 0.00 0.00 178.44 179.07 3dk5 h ARG 193 N -0.34 0.59 -0.02 1.25 3.08 -0.90 -1.93 114.38 116.12 3dk5 h ARG 193 Ca -0.00 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.75 3dk5 h ARG 193 Cb 0.72 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.65 3dk5 h ARG 193 CO 0.03 0.39 -1.01 1.03 -1.07 0.00 0.00 179.97 179.34 3dk5 h SER 194 N 0.61 0.90 1.16 7.04 0.87 -1.45 -2.23 113.55 120.44 3dk5 h SER 194 Ca 0.20 -0.70 -0.07 0.00 -1.23 0.00 0.00 61.79 59.99 3dk5 h SER 194 Cb 0.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3dk5 h SER 194 CO -0.05 1.50 -0.31 0.00 -0.53 0.00 0.00 176.83 177.44 3dk5 h ALA 195 N 0.45 0.91 0.02 6.23 0.00 -1.00 -3.16 119.26 122.71 3dk5 h ALA 195 Ca -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3dk5 h ALA 195 Cb 1.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3dk5 h ALA 195 CO 0.20 0.39 -0.12 -0.07 0.00 0.00 0.00 179.25 179.65 3dk5 h LEU 196 N 0.00 0.07 -1.12 0.00 3.38 -1.43 -3.32 115.31 112.89 3dk5 h LEU 196 Ca -0.00 -0.97 0.32 0.00 0.09 0.00 0.00 57.88 57.32 3dk5 h LEU 196 Cb 0.97 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 3dk5 h LEU 196 CO 0.04 1.03 0.63 0.77 0.09 0.00 0.00 178.44 181.01 3dk5 h SER 197 N -0.88 0.48 -2.63 -0.43 4.64 -1.37 -2.38 113.55 110.98 3dk5 h SER 197 Ca -0.02 0.16 -0.80 0.00 -0.47 0.00 0.00 61.79 60.66 3dk5 h SER 197 Cb 1.07 0.11 -0.28 0.00 -0.31 0.00 0.00 62.40 62.98 3dk5 h SER 197 CO 0.02 -0.09 0.82 0.54 -0.87 0.00 0.00 176.83 177.25 3dk5 n ARG 198 N -4.91 4.79 -4.35 4.77 3.00 -1.20 -5.01 116.66 113.74 3dk5 n ARG 198 Ca 0.31 -4.61 -0.19 0.00 -0.01 0.00 0.00 57.85 53.35 3dk5 n ARG 198 Cb 1.02 -2.48 -0.14 0.00 0.00 0.00 0.00 32.46 30.86 3dk5 n ARG 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3dk5 s LEU 199 N -3.40 2.13 0.00 0.55 1.43 -0.90 -4.97 118.68 113.52 3dk5 s LEU 199 Ca 0.35 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3dk5 s LEU 199 Cb 0.11 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.79 3dk5 s LEU 199 CO 0.01 0.04 0.00 -1.54 0.23 0.00 0.00 176.35 175.09 3dk5 n SER 200 N 2.14 0.00 0.00 2.29 3.41 -1.26 -5.10 113.62 115.10 3dk5 n SER 200 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3dk5 n SER 200 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3dk5 n SER 200 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dk5 n SER 201 N 0.00 0.00 -4.66 4.04 3.41 -1.26 -4.36 113.62 110.79 3dk5 n SER 201 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3dk5 n SER 201 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3dk5 n SER 201 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dk5 s ASN 202 N -0.85 7.06 0.00 4.04 4.22 -1.26 -3.06 114.94 125.08 3dk5 s ASN 202 Ca 0.00 1.44 0.00 0.00 -2.14 0.00 0.00 52.86 52.16 3dk5 s ASN 202 Cb 0.00 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.99 3dk5 s ASN 202 CO 0.00 -0.70 0.00 -0.46 -2.04 0.00 0.00 177.10 173.90 3dk5 n ASN 203 N 6.40 0.00 0.00 3.54 0.23 -1.26 -5.04 115.26 119.14 3dk5 n ASN 203 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 3dk5 n ASN 203 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 3dk5 n ASN 203 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dk5 n GLN 205 N -0.36 0.00 -2.98 -3.83 -0.00 -1.26 -5.04 117.38 103.90 3dk5 n GLN 205 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.88 3dk5 n GLN 205 Cb 0.00 -0.18 0.05 0.00 -0.00 0.00 0.00 30.24 30.12 3dk5 n GLN 205 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3dk5 n GLN 206 N 0.00 -4.38 -4.36 2.61 1.13 -1.26 -5.06 117.38 106.06 3dk5 n GLN 206 Ca 0.00 0.52 -0.21 0.00 -1.94 0.00 0.00 57.00 55.37 3dk5 n GLN 206 Cb 0.00 -4.58 -0.08 0.00 0.11 0.00 0.00 30.24 25.69 3dk5 n GLN 206 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3dk5 s GLU 207 N -5.18 1.76 -0.42 -1.09 2.02 -1.17 -4.96 118.70 109.65 3dk5 s GLU 207 Ca 0.13 -2.03 -0.09 0.00 0.02 0.00 0.00 54.97 52.99 3dk5 s GLU 207 Cb -0.06 -0.04 0.08 0.00 0.10 0.00 0.00 34.13 34.22 3dk5 s GLU 207 CO 0.45 -0.55 0.27 -0.51 0.02 0.00 0.00 175.26 174.93 3dk5 s LEU 208 N -3.44 5.19 0.47 1.80 1.02 0.89 -4.51 118.68 120.10 3dk5 s LEU 208 Ca 0.34 -1.53 -0.19 0.00 0.02 0.00 0.00 54.13 52.77 3dk5 s LEU 208 Cb 0.03 -1.99 -0.10 0.00 0.02 0.00 0.00 46.19 44.15 3dk5 s LEU 208 CO 0.21 -0.55 0.97 -0.31 0.02 0.00 0.00 176.35 176.69 3dk5 s TYR 209 N 1.42 3.33 -0.24 0.29 2.02 -1.26 -1.36 117.35 121.55 3dk5 s TYR 209 Ca 0.03 1.56 0.20 0.00 -0.37 0.00 0.00 57.07 58.48 3dk5 s TYR 209 Cb -0.23 -2.85 0.07 0.00 -0.40 0.00 0.00 41.96 38.55 3dk5 s TYR 209 CO 0.02 -0.28 1.22 1.25 -1.57 0.00 0.00 175.55 176.19 3dk5 h LEU 210 N 1.49 0.00 -2.28 -1.29 5.85 -1.93 -3.23 115.31 113.92 3dk5 h LEU 210 Ca -0.48 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.27 3dk5 h LEU 210 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3dk5 h LEU 210 CO 0.61 0.24 0.22 0.71 -0.34 0.00 0.00 178.44 179.88 3dk5 h THR 211 N 0.00 0.26 0.00 1.05 1.35 -1.97 -1.96 112.91 111.64 3dk5 h THR 211 Ca -0.04 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.75 3dk5 h THR 211 Cb 1.22 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3dk5 h THR 211 CO 0.03 0.00 -0.36 0.44 -0.25 0.00 0.00 175.52 175.38 3dk5 h ASP 212 N 0.00 0.00 -0.62 5.36 3.32 -1.93 -2.39 116.42 120.15 3dk5 h ASP 212 Ca 0.06 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.29 3dk5 h ASP 212 Cb 0.51 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3dk5 h ASP 212 CO -0.00 0.36 0.50 0.58 -1.72 0.00 0.00 179.24 178.95 3dk5 h VAL 213 N 0.00 0.55 -0.14 -1.35 2.07 -1.55 -1.99 116.25 113.85 3dk5 h VAL 213 Ca -0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 3dk5 h VAL 213 Cb 1.21 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3dk5 h VAL 213 CO 0.05 0.00 -0.53 0.40 0.02 0.00 0.00 177.57 177.50 3dk5 h ILE 214 N 0.00 1.34 -0.03 4.57 1.08 -1.59 -2.70 117.51 120.17 3dk5 h ILE 214 Ca 0.30 -1.81 -0.15 0.00 -0.39 0.00 0.00 64.86 62.81 3dk5 h ILE 214 Cb 1.29 2.07 -0.01 0.00 -3.07 0.00 0.00 36.82 37.09 3dk5 h ILE 214 CO -0.00 0.55 -0.66 0.00 -0.69 0.00 0.00 178.15 177.35 3dk5 h ALA 215 N 0.52 0.83 -0.38 1.87 0.00 -1.63 -2.56 119.26 117.91 3dk5 h ALA 215 Ca -0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 3dk5 h ALA 215 Cb 1.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3dk5 h ALA 215 CO 0.11 0.79 -0.20 0.82 0.00 0.00 0.00 179.25 180.77 3dk5 h ILE 216 N 0.10 1.27 0.00 0.00 2.04 -1.34 -2.43 117.51 117.14 3dk5 h ILE 216 Ca -0.01 -1.29 -0.12 0.00 1.00 0.00 0.00 64.86 64.44 3dk5 h ILE 216 Cb 1.18 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 3dk5 h ILE 216 CO 0.10 0.43 -0.72 -0.07 0.00 0.00 0.00 178.15 177.89 3dk5 h LEU 217 N 0.65 0.00 -0.14 1.44 3.38 -1.49 -2.63 115.31 116.52 3dk5 h LEU 217 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dk5 h LEU 217 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3dk5 h LEU 217 CO 0.05 0.50 0.06 0.03 0.09 0.00 0.00 178.44 179.17 3dk5 h ARG 218 N 0.00 0.22 -0.90 1.13 2.47 -1.40 0.64 114.38 116.55 3dk5 h ARG 218 Ca -0.04 -0.04 0.21 0.00 -1.26 0.00 0.00 59.98 58.85 3dk5 h ARG 218 Cb 1.42 -0.03 -0.12 0.00 -1.65 0.00 0.00 29.97 29.59 3dk5 h ARG 218 CO 0.06 0.32 0.42 0.77 0.56 0.00 0.00 179.97 182.09 3dk5 h SER 219 N 0.07 0.39 0.00 7.04 0.02 -1.34 0.44 113.55 120.18 3dk5 h SER 219 Ca 0.05 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3dk5 h SER 219 Cb 0.18 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3dk5 h SER 219 CO -0.00 0.05 0.00 0.47 -1.14 0.00 0.00 176.83 176.20 3dk5 n ASP 220 N -5.00 0.37 -3.84 3.07 8.00 -1.00 -4.85 116.55 113.29 3dk5 n ASP 220 Ca 0.22 -1.90 -0.27 0.00 0.71 0.00 0.00 54.79 53.54 3dk5 n ASP 220 Cb 0.62 -0.18 0.03 0.00 -0.02 0.00 0.00 41.12 41.57 3dk5 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dk5 n GLY 221 N 0.29 -0.43 3.94 0.44 0.00 0.14 -4.96 105.19 104.61 3dk5 n GLY 221 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3dk5 n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dk5 s GLN 222 N -6.42 3.49 -0.13 1.61 -1.52 0.22 -5.00 119.66 111.92 3dk5 s GLN 222 Ca 0.44 -0.43 -0.29 0.00 -1.95 0.00 0.00 55.36 53.13 3dk5 s GLN 222 Cb -0.22 -2.81 -0.02 0.00 -0.22 0.00 0.00 33.01 29.74 3dk5 s GLN 222 CO 0.82 0.35 1.22 0.99 -0.25 0.00 0.00 175.29 178.42 3dk5 s THR 223 N -2.00 4.30 -0.41 -0.19 2.01 -1.26 -4.55 115.64 113.53 3dk5 s THR 223 Ca 0.38 1.59 -0.08 0.00 0.31 0.00 0.00 61.69 63.89 3dk5 s THR 223 Cb -0.10 -4.03 0.08 0.00 0.01 0.00 0.00 72.50 68.46 3dk5 s THR 223 CO 0.31 -0.09 0.24 -0.69 -0.69 0.00 0.00 174.62 173.70 3dk5 s VAL 224 N 3.00 4.02 0.50 3.82 1.01 -1.26 -3.60 120.40 127.89 3dk5 s VAL 224 Ca 0.54 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3dk5 s VAL 224 Cb -0.22 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3dk5 s VAL 224 CO 0.17 -0.53 0.72 -2.28 0.00 0.00 0.00 175.10 173.18 3dk5 s HIS 225 N 1.37 3.09 -0.28 5.22 2.46 -0.18 -4.54 115.29 122.44 3dk5 s HIS 225 Ca 0.03 0.17 0.01 0.00 0.47 0.00 0.00 55.06 55.74 3dk5 s HIS 225 Cb -0.23 -2.50 0.16 0.00 -0.13 0.00 0.00 32.58 29.87 3dk5 s HIS 225 CO 0.01 -0.58 0.41 0.00 -2.47 0.00 0.00 174.74 172.11 3dk5 s ALA 226 N -2.66 -1.23 -0.16 1.58 0.00 -1.26 -1.15 121.76 116.88 3dk5 s ALA 226 Ca 0.52 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 3dk5 s ALA 226 Cb -0.10 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3dk5 s ALA 226 CO 0.39 -1.63 1.49 0.45 0.00 0.00 0.00 175.76 176.45 3dk5 s SER 227 N 2.56 6.67 -0.12 0.00 0.15 -0.94 -4.88 113.70 117.13 3dk5 s SER 227 Ca 0.11 1.79 -0.14 0.00 0.70 0.00 0.00 55.95 58.41 3dk5 s SER 227 Cb -0.13 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 3dk5 s SER 227 CO -0.27 -0.99 0.33 -2.28 1.20 0.00 0.00 173.24 171.23 3dk5 s HIS 228 N 4.25 3.53 -0.32 3.44 2.46 -1.26 -1.62 115.29 125.77 3dk5 s HIS 228 Ca 0.65 0.70 -0.09 0.00 0.47 0.00 0.00 55.06 56.80 3dk5 s HIS 228 Cb -0.26 -2.32 0.01 0.00 -0.13 0.00 0.00 32.58 29.88 3dk5 s HIS 228 CO 0.24 0.35 0.15 0.08 -2.47 0.00 0.00 174.74 173.09 3dk5 s VAL 229 N 0.06 4.44 0.04 0.89 1.01 0.76 -4.94 120.40 122.65 3dk5 s VAL 229 Ca 0.19 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 3dk5 s VAL 229 Cb -0.14 -3.32 -0.17 0.00 0.00 0.00 0.00 36.38 32.75 3dk5 s VAL 229 CO 0.06 -0.00 1.49 0.44 0.00 0.00 0.00 175.10 177.10 3dk5 h ASP 230 N 8.34 -0.22 -1.61 3.32 3.32 -1.98 -3.39 116.42 124.21 3dk5 h ASP 230 Ca -0.30 -0.14 -0.43 0.00 0.02 0.00 0.00 57.03 56.18 3dk5 h ASP 230 Cb 1.13 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 3dk5 h ASP 230 CO 0.62 0.01 1.20 -0.62 -1.72 0.00 0.00 179.24 178.73 3dk5 s ASP 231 N -5.13 5.12 0.47 6.45 -1.08 -1.26 -4.84 116.67 116.40 3dk5 s ASP 231 Ca -0.15 0.17 0.18 0.00 -0.52 0.00 0.00 52.55 52.23 3dk5 s ASP 231 Cb 0.04 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 40.10 3dk5 s ASP 231 CO 0.62 -2.56 2.02 0.28 0.52 0.00 0.00 175.17 176.06 3dk5 h SER 232 N 14.50 0.00 1.05 -0.34 0.02 -1.90 -3.14 113.55 123.74 3dk5 h SER 232 Ca -0.17 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 3dk5 h SER 232 Cb 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3dk5 h SER 232 CO 1.20 0.16 -0.42 0.00 -1.14 0.00 0.00 176.83 176.63 3dk5 h ALA 233 N 1.84 0.88 -0.39 3.77 0.00 -1.95 -2.99 119.26 120.41 3dk5 h ALA 233 Ca -0.00 -0.38 0.11 0.00 0.00 0.00 0.00 54.91 54.64 3dk5 h ALA 233 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3dk5 h ALA 233 CO 0.02 0.53 0.38 -0.07 0.00 0.00 0.00 179.25 180.10 3dk5 h LEU 234 N 0.00 0.00 -2.94 0.00 3.38 -1.83 -2.97 115.31 110.95 3dk5 h LEU 234 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dk5 h LEU 234 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3dk5 h LEU 234 CO 0.05 0.00 -0.02 1.33 0.09 0.00 0.00 178.44 179.89 3dk5 n VAL 235 N -3.89 1.64 -2.49 1.22 0.24 -1.13 -1.18 118.33 112.73 3dk5 n VAL 235 Ca 0.07 -1.93 -0.42 0.00 -2.04 0.00 0.00 64.34 60.02 3dk5 n VAL 235 Cb 0.55 -0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 3dk5 n VAL 235 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dk5 s ALA 236 N -2.40 3.35 0.38 2.33 0.00 -1.12 -4.97 121.76 119.32 3dk5 s ALA 236 Ca 0.25 0.79 0.07 0.00 0.00 0.00 0.00 51.96 53.08 3dk5 s ALA 236 Cb 0.22 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 3dk5 s ALA 236 CO 0.02 -0.33 0.47 0.20 0.00 0.00 0.00 175.76 176.12 3dk5 s GLY 237 N 0.65 1.84 -0.21 0.00 0.00 -1.26 -4.39 107.32 103.95 3dk5 s GLY 237 Ca 0.55 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3dk5 s GLY 237 CO 0.31 -1.50 -0.12 0.14 0.00 0.00 0.00 173.10 171.93 3dk5 s VAL 238 N -2.31 1.84 -0.06 1.40 1.01 -0.48 -4.92 120.40 116.89 3dk5 s VAL 238 Ca 0.49 -1.18 0.14 0.00 0.00 0.00 0.00 61.98 61.42 3dk5 s VAL 238 Cb -0.08 -1.89 -0.21 0.00 0.00 0.00 0.00 36.38 34.20 3dk5 s VAL 238 CO 0.31 0.16 0.23 0.59 0.00 0.00 0.00 175.10 176.38 3dk5 n ASN 239 N 4.61 1.68 -3.93 3.32 5.03 -1.26 -4.90 115.26 119.81 3dk5 n ASN 239 Ca -0.15 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.16 3dk5 n ASN 239 Cb 0.46 1.39 -0.09 0.00 -1.02 0.00 0.00 39.78 40.52 3dk5 n ASN 239 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3dk5 s ASN 240 N -4.00 0.51 0.47 6.41 2.20 -1.26 -3.45 114.94 115.83 3dk5 s ASN 240 Ca -0.06 -1.43 0.32 0.00 -0.94 0.00 0.00 52.86 50.75 3dk5 s ASN 240 Cb 0.08 0.46 1.37 0.00 -2.00 0.00 0.00 41.25 41.16 3dk5 s ASN 240 CO 0.59 -0.95 1.94 0.03 -2.94 0.00 0.00 177.10 175.76 3dk5 h ARG 241 N 2.44 0.00 -0.26 3.55 3.08 -1.86 -1.58 114.38 119.75 3dk5 h ARG 241 Ca -0.32 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.60 3dk5 h ARG 241 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3dk5 h ARG 241 CO 0.46 0.00 -0.34 0.28 -1.07 0.00 0.00 179.97 179.31 3dk5 h VAL 242 N 0.00 1.31 -0.09 2.04 2.07 -1.97 -3.07 116.25 116.54 3dk5 h VAL 242 Ca 0.00 -1.52 -0.18 0.00 0.82 0.00 0.00 66.70 65.82 3dk5 h VAL 242 Cb 0.39 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3dk5 h VAL 242 CO 0.00 0.48 -0.70 1.56 0.02 0.00 0.00 177.57 178.93 3dk5 h GLN 243 N 0.42 0.41 0.04 1.57 4.20 -1.82 -2.78 115.11 117.15 3dk5 h GLN 243 Ca 0.03 -0.32 0.03 0.00 0.06 0.00 0.00 58.65 58.45 3dk5 h GLN 243 Cb 0.92 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.71 3dk5 h GLN 243 CO 0.08 0.96 -0.39 1.25 -0.67 0.00 0.00 178.83 180.05 3dk5 h LEU 244 N 0.28 -1.18 -1.59 1.46 5.85 -1.37 -2.04 115.31 116.72 3dk5 h LEU 244 Ca -0.03 0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.93 3dk5 h LEU 244 Cb 1.27 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 42.72 3dk5 h LEU 244 CO 0.12 -0.45 0.41 0.00 -0.34 0.00 0.00 178.44 178.18 3dk5 h ALA 245 N -0.02 1.96 0.18 1.25 0.00 -1.55 -0.66 119.26 120.42 3dk5 h ALA 245 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dk5 h ALA 245 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dk5 h ALA 245 CO -0.28 -0.09 -0.08 0.93 0.00 0.00 0.00 179.25 179.73 3dk5 h GLU 246 N 0.47 -0.23 0.00 0.00 5.08 -1.23 -0.65 114.58 118.02 3dk5 h GLU 246 Ca 0.28 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.55 3dk5 h GLU 246 Cb 0.49 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3dk5 h GLU 246 CO -0.08 -0.01 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.34 3dk5 h LEU 247 N -0.42 0.00 -0.37 1.33 3.38 -1.17 -0.88 115.31 117.18 3dk5 h LEU 247 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3dk5 h LEU 247 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dk5 h LEU 247 CO 0.04 0.52 0.19 0.00 0.09 0.00 0.00 178.44 179.28 3dk5 h ALA 248 N 1.48 0.48 -0.70 1.53 0.00 -1.06 -0.51 119.26 120.47 3dk5 h ALA 248 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dk5 h ALA 248 Cb 0.95 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3dk5 h ALA 248 CO 0.07 0.02 0.42 1.03 0.00 0.00 0.00 179.25 180.79 3dk5 h SER 249 N 0.46 0.84 -0.19 0.00 0.87 -0.56 -1.65 113.55 113.32 3dk5 h SER 249 Ca 0.13 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 3dk5 h SER 249 Cb 0.09 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3dk5 h SER 249 CO -0.02 0.66 -0.36 -0.08 -0.53 0.00 0.00 176.83 176.50 3dk5 h GLU 250 N 0.96 0.59 -0.95 2.24 4.57 -1.02 -2.64 114.58 118.32 3dk5 h GLU 250 Ca 0.25 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3dk5 h GLU 250 Cb -0.03 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 3dk5 h GLU 250 CO -0.05 0.99 0.58 1.25 -1.18 0.00 0.00 179.01 180.60 3dk5 h LEU 251 N 0.26 1.12 -0.77 1.64 5.85 -1.09 -2.77 115.31 119.55 3dk5 h LEU 251 Ca 0.01 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3dk5 h LEU 251 Cb 0.96 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3dk5 h LEU 251 CO 0.08 0.85 0.33 -1.13 -0.34 0.00 0.00 178.44 178.23 3dk5 h ASN 252 N 1.30 1.05 -0.92 1.25 -1.24 -1.15 -2.42 115.58 113.45 3dk5 h ASN 252 Ca 0.34 -0.16 0.07 0.00 0.71 0.00 0.00 56.30 57.26 3dk5 h ASN 252 Cb -0.08 -0.27 -0.06 0.00 0.73 0.00 0.00 38.32 38.64 3dk5 h ASN 252 CO -0.07 0.93 0.60 0.03 -1.29 0.00 0.00 177.43 177.63 3dk5 h ARG 253 N 1.11 1.01 0.01 6.67 3.08 -1.21 -1.72 114.38 123.33 3dk5 h ARG 253 Ca 0.26 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 3dk5 h ARG 253 Cb 0.19 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3dk5 h ARG 253 CO -0.02 0.67 -0.87 0.00 -1.07 0.00 0.00 179.97 178.68 3dk5 h ARG 254 N 1.04 0.09 -0.07 0.04 3.08 -1.23 -1.69 114.38 115.65 3dk5 h ARG 254 Ca 0.40 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 60.21 3dk5 h ARG 254 Cb 0.22 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.31 3dk5 h ARG 254 CO -0.16 0.90 -0.51 0.28 -1.07 0.00 0.00 179.97 179.41 3dk5 h VAL 255 N 0.05 1.39 0.29 2.04 2.07 -1.10 -2.96 116.25 118.03 3dk5 h VAL 255 Ca -0.03 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.61 3dk5 h VAL 255 Cb 1.51 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 3dk5 h VAL 255 CO 0.12 0.56 -0.32 0.58 0.02 0.00 0.00 177.57 178.53 3dk5 h VAL 256 N 0.03 0.33 -0.72 2.57 2.07 -1.32 -2.34 116.25 116.86 3dk5 h VAL 256 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3dk5 h VAL 256 Cb 1.18 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3dk5 h VAL 256 CO 0.10 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.17 3dk5 h ALA 257 N -0.10 1.80 -0.60 1.67 0.00 -1.39 0.11 119.26 120.75 3dk5 h ALA 257 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3dk5 h ALA 257 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3dk5 h ALA 257 CO -0.08 0.06 0.16 0.00 0.00 0.00 0.00 179.25 179.39 3dk5 h ALA 258 N 1.63 1.16 -0.10 0.00 0.00 -1.33 -1.34 119.26 119.28 3dk5 h ALA 258 Ca 0.32 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3dk5 h ALA 258 Cb 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dk5 h ALA 258 CO -0.11 0.58 -0.26 0.45 0.00 0.00 0.00 179.25 179.90 3dk5 h HIS 259 N 0.88 0.45 -0.98 0.00 3.86 -0.58 -2.96 115.15 115.82 3dk5 h HIS 259 Ca 0.19 -0.17 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 3dk5 h HIS 259 Cb 0.30 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 28.61 3dk5 h HIS 259 CO 0.02 0.88 0.62 1.96 0.86 0.00 0.00 177.93 182.27 3dk5 h GLN 260 N -0.11 0.96 0.00 2.45 4.20 -0.66 -2.47 115.11 119.47 3dk5 h GLN 260 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3dk5 h GLN 260 Cb 0.87 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3dk5 h GLN 260 CO 0.06 0.63 0.00 -0.07 -0.67 0.00 0.00 178.83 178.78 3dk5 h LEU 261 N 0.99 0.00 -0.45 1.46 3.38 -1.26 -2.65 115.31 116.78 3dk5 h LEU 261 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3dk5 h LEU 261 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3dk5 h LEU 261 CO -0.23 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.22 3dk5 n ALA 262 N -2.08 2.74 0.00 1.53 0.00 -0.96 -4.97 120.51 116.77 3dk5 n ALA 262 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3dk5 n ALA 262 Cb 0.38 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3dk5 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dk5 n GLY 263 N 1.21 1.97 3.33 0.00 0.00 -1.00 -4.75 105.19 105.95 3dk5 n GLY 263 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3dk5 n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dk5 s VAL 264 N -2.00 3.32 -0.22 1.61 1.01 -1.02 0.82 120.40 123.93 3dk5 s VAL 264 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3dk5 s VAL 264 Cb 0.00 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3dk5 s VAL 264 CO 0.00 0.45 1.06 -0.89 0.00 0.00 0.00 175.10 175.72 3dk5 s THR 265 N 1.22 4.64 -0.36 3.92 2.01 -0.55 -3.85 115.64 122.67 3dk5 s THR 265 Ca 0.03 1.98 -0.02 0.00 0.31 0.00 0.00 61.69 63.98 3dk5 s THR 265 Cb -0.14 -4.28 0.08 0.00 0.01 0.00 0.00 72.50 68.17 3dk5 s THR 265 CO -0.02 -0.17 0.11 -0.69 -0.69 0.00 0.00 174.62 173.16 3dk5 s VAL 266 N 3.19 3.16 0.20 3.82 1.01 -1.26 -0.68 120.40 129.84 3dk5 s VAL 266 Ca 0.45 -1.71 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 3dk5 s VAL 266 Cb -0.16 -3.00 0.12 0.00 0.00 0.00 0.00 36.38 33.34 3dk5 s VAL 266 CO 0.07 -0.40 1.80 0.58 0.00 0.00 0.00 175.10 177.14 3dk5 h VAL 267 N 6.40 1.23 -2.84 2.92 2.07 -1.56 -3.37 116.25 121.09 3dk5 h VAL 267 Ca -0.17 -0.61 -0.60 0.00 0.82 0.00 0.00 66.70 66.14 3dk5 h VAL 267 Cb 1.05 0.33 -0.40 0.00 -1.52 0.00 0.00 31.29 30.76 3dk5 h VAL 267 CO 0.61 0.26 -0.77 -0.62 0.02 0.00 0.00 177.57 177.07 3dk5 s ASP 268 N -6.08 3.32 0.61 0.57 2.15 -1.26 -4.98 116.67 111.01 3dk5 s ASP 268 Ca -0.13 -2.76 0.32 0.00 0.43 0.00 0.00 52.55 50.40 3dk5 s ASP 268 Cb 0.14 -0.91 1.80 0.00 -0.30 0.00 0.00 42.92 43.65 3dk5 s ASP 268 CO 0.80 -0.24 2.14 -0.65 -0.17 0.00 0.00 175.17 177.05 3dk5 h PRO 269 N 6.45 0.00 0.00 4.34 0.11 -1.92 -2.36 132.00 138.62 3dk5 h PRO 269 Ca 0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 3dk5 h PRO 269 Cb 0.91 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3dk5 h PRO 269 CO 0.46 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.85 3dk5 h ALA 270 N 1.77 1.05 -1.09 -0.75 0.00 -1.97 -3.11 119.26 115.17 3dk5 h ALA 270 Ca 0.05 -0.36 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 3dk5 h ALA 270 Cb 0.39 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.72 3dk5 h ALA 270 CO -0.00 0.50 -0.46 0.25 0.00 0.00 0.00 179.25 179.54 3dk5 n THR 271 N -3.65 2.67 -3.68 0.00 -2.24 -0.89 -4.89 114.28 101.60 3dk5 n THR 271 Ca -0.01 -4.38 -0.28 0.00 -2.27 0.00 0.00 64.05 57.11 3dk5 n THR 271 Cb 0.50 -1.20 -0.16 0.00 -2.10 0.00 0.00 70.33 67.37 3dk5 n THR 271 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3dk5 s THR 272 N -5.03 0.40 -0.41 4.28 2.01 -1.18 -1.16 115.64 114.56 3dk5 s THR 272 Ca 0.51 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.56 3dk5 s THR 272 Cb 0.42 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.83 3dk5 s THR 272 CO -0.09 -0.44 0.65 0.26 -0.69 0.00 0.00 174.62 174.31 3dk5 s TRP 273 N 1.89 3.09 -0.22 4.92 0.52 -0.85 -4.93 118.94 123.36 3dk5 s TRP 273 Ca 0.04 0.12 -0.00 0.00 0.02 0.00 0.00 56.10 56.28 3dk5 s TRP 273 Cb -0.17 -3.30 0.02 0.00 -1.15 0.00 0.00 33.47 28.88 3dk5 s TRP 273 CO -0.18 -0.79 -0.12 0.42 0.02 0.00 0.00 176.95 176.30 3dk5 s ILE 274 N 2.82 2.54 0.76 2.03 1.01 -1.26 -0.56 121.20 128.54 3dk5 s ILE 274 Ca 0.24 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3dk5 s ILE 274 Cb -0.14 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.18 3dk5 s ILE 274 CO 0.18 0.35 1.09 -1.81 0.00 0.00 0.00 174.94 174.75 3dk5 s ASP 275 N 1.31 4.53 0.50 3.58 1.11 -0.79 -4.89 116.67 122.02 3dk5 s ASP 275 Ca 0.02 1.85 -0.20 0.00 0.18 0.00 0.00 52.55 54.40 3dk5 s ASP 275 Cb -0.15 -2.53 -0.08 0.00 1.07 0.00 0.00 42.92 41.24 3dk5 s ASP 275 CO -0.08 -2.02 1.06 0.68 1.18 0.00 0.00 175.17 175.99 3dk5 s VAL 276 N -2.84 3.66 0.00 -1.27 -7.23 -0.88 -3.05 120.40 108.79 3dk5 s VAL 276 Ca 0.62 1.03 0.00 0.00 -1.81 0.00 0.00 61.98 61.82 3dk5 s VAL 276 Cb -0.18 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.35 3dk5 s VAL 276 CO 0.55 -0.23 0.00 0.47 -0.31 0.00 0.00 175.10 175.58 3dk5 n ASP 277 N -1.06 0.00 -4.57 4.85 8.00 -1.26 -4.85 116.55 117.66 3dk5 n ASP 277 Ca 0.10 0.00 -0.53 0.00 0.71 0.00 0.00 54.79 55.06 3dk5 n ASP 277 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 3dk5 n ASP 277 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3dk5 n VAL 278 N 0.00 0.08 -4.73 2.53 0.31 -1.17 -4.91 118.33 110.44 3dk5 n VAL 278 Ca 0.00 -0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 64.00 3dk5 n VAL 278 Cb 0.00 -0.61 -0.13 0.00 -0.91 0.00 0.00 33.84 32.19 3dk5 n VAL 278 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dk5 s THR 279 N 0.30 2.89 0.01 2.52 -4.23 -1.11 -4.98 115.64 111.05 3dk5 s THR 279 Ca 0.85 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.31 3dk5 s THR 279 Cb -1.02 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 3dk5 s THR 279 CO 0.50 0.42 0.01 -0.63 -0.54 0.00 0.00 174.62 174.38 3dk5 s ILE 280 N -0.87 0.10 0.28 2.99 1.01 -1.26 -1.13 121.20 122.31 3dk5 s ILE 280 Ca 0.14 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.01 3dk5 s ILE 280 Cb -0.11 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.09 3dk5 s ILE 280 CO 0.04 -0.44 0.13 0.61 0.00 0.00 0.00 174.94 175.29 3dk5 n GLY 281 N 1.67 3.25 3.72 6.18 0.00 -0.96 -4.95 105.19 114.10 3dk5 n GLY 281 Ca -0.23 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.11 3dk5 n GLY 281 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dk5 n ARG 282 N -0.98 2.36 -0.86 1.61 0.63 -1.26 -3.00 116.66 115.16 3dk5 n ARG 282 Ca -0.05 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 3dk5 n ARG 282 Cb 0.33 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.74 3dk5 n ARG 282 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3dk5 n ASP 283 N 1.19 -3.19 -4.78 6.15 8.00 0.24 -1.15 116.55 123.01 3dk5 n ASP 283 Ca 0.06 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.21 3dk5 n ASP 283 Cb 0.36 -2.35 -0.01 0.00 -0.02 0.00 0.00 41.12 39.09 3dk5 n ASP 283 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dk5 s THR 284 N -1.48 3.40 -0.13 -3.53 -4.23 -1.16 -4.17 115.64 104.33 3dk5 s THR 284 Ca 0.00 0.91 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 3dk5 s THR 284 Cb 0.00 -3.39 -0.01 0.00 1.34 0.00 0.00 72.50 70.44 3dk5 s THR 284 CO 0.00 -0.14 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.09 3dk5 s VAL 285 N -1.79 2.80 -0.23 2.29 1.01 -0.42 -1.49 120.40 122.57 3dk5 s VAL 285 Ca 0.68 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3dk5 s VAL 285 Cb -0.22 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.00 3dk5 s VAL 285 CO 0.26 0.53 -0.06 -0.63 0.00 0.00 0.00 175.10 175.20 3dk5 s ILE 286 N 0.46 3.09 0.37 2.22 -1.09 0.15 -0.86 121.20 125.53 3dk5 s ILE 286 Ca -0.11 -0.72 0.04 0.00 -2.23 0.00 0.00 60.65 57.63 3dk5 s ILE 286 Cb -0.16 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 3dk5 s ILE 286 CO 0.05 0.35 0.53 -1.00 -1.23 0.00 0.00 174.94 173.64 3dk5 s HIS 287 N 1.41 3.18 0.76 3.97 3.76 0.13 -1.37 115.29 127.14 3dk5 s HIS 287 Ca 0.04 -0.04 -0.13 0.00 -0.15 0.00 0.00 55.06 54.78 3dk5 s HIS 287 Cb -0.15 -2.08 0.06 0.00 1.11 0.00 0.00 32.58 31.52 3dk5 s HIS 287 CO -0.05 -0.10 1.16 -2.14 -0.85 0.00 0.00 174.74 172.76 3dk5 s PRO 288 N -4.30 2.05 -0.12 8.40 0.02 -1.26 -3.70 135.00 136.09 3dk5 s PRO 288 Ca 0.45 1.55 0.00 0.00 0.02 0.00 0.00 61.00 63.03 3dk5 s PRO 288 Cb -0.10 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3dk5 s PRO 288 CO 0.33 -1.86 0.00 0.41 -0.33 0.00 0.00 177.00 175.56 3dk5 n GLY 289 N -0.07 0.49 3.70 0.52 0.00 -0.31 -2.14 105.19 107.38 3dk5 n GLY 289 Ca 0.12 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 3dk5 n GLY 289 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dk5 s THR 290 N -2.03 5.35 -0.16 2.61 2.01 -0.93 -3.27 115.64 119.22 3dk5 s THR 290 Ca 0.00 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 3dk5 s THR 290 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3dk5 s THR 290 CO 0.00 0.39 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.19 3dk5 s GLN 291 N 0.66 3.68 -0.21 4.92 1.11 -0.56 -2.00 119.66 127.25 3dk5 s GLN 291 Ca 0.11 -0.51 0.00 0.00 0.01 0.00 0.00 55.36 54.97 3dk5 s GLN 291 Cb -0.12 -2.95 0.02 0.00 -1.01 0.00 0.00 33.01 28.95 3dk5 s GLN 291 CO 0.02 0.21 -0.14 -0.51 0.01 0.00 0.00 175.29 174.88 3dk5 s LEU 292 N 0.47 2.64 0.21 2.90 1.43 0.27 -1.50 118.68 125.10 3dk5 s LEU 292 Ca -0.03 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.36 3dk5 s LEU 292 Cb -0.14 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 3dk5 s LEU 292 CO 0.03 -0.06 -0.10 -0.76 0.23 0.00 0.00 176.35 175.69 3dk5 s LEU 293 N 1.29 2.48 0.00 1.79 1.43 0.16 -1.88 118.68 123.96 3dk5 s LEU 293 Ca 0.02 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 3dk5 s LEU 293 Cb -0.15 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3dk5 s LEU 293 CO -0.09 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.81 3dk5 n GLY 294 N -0.38 2.07 2.15 -3.19 0.00 -1.26 -2.10 105.19 102.47 3dk5 n GLY 294 Ca -0.08 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 3dk5 n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dk5 n ARG 295 N 13.07 3.16 -1.87 1.61 1.74 -1.26 -3.97 116.66 129.14 3dk5 n ARG 295 Ca 0.00 -3.75 -0.39 0.00 -0.77 0.00 0.00 57.85 52.94 3dk5 n ARG 295 Cb 0.00 -2.28 0.02 0.00 -1.02 0.00 0.00 32.46 29.19 3dk5 n ARG 295 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dk5 s THR 296 N -4.68 2.26 -0.03 0.55 2.01 -1.14 -4.55 115.64 110.05 3dk5 s THR 296 Ca 0.57 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.81 3dk5 s THR 296 Cb 0.46 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.86 3dk5 s THR 296 CO 0.02 0.01 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.74 3dk5 s GLN 297 N -2.69 1.22 -0.10 4.92 -0.21 0.48 -2.76 119.66 120.52 3dk5 s GLN 297 Ca 0.66 -0.40 0.02 0.00 0.02 0.00 0.00 55.36 55.66 3dk5 s GLN 297 Cb -0.40 -1.11 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 3dk5 s GLN 297 CO 0.49 0.15 -0.15 0.42 -2.12 0.00 0.00 175.29 174.08 3dk5 s ILE 298 N 0.14 2.89 0.00 1.08 -1.09 -0.29 0.23 121.20 124.17 3dk5 s ILE 298 Ca -0.03 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 3dk5 s ILE 298 Cb -0.09 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.61 3dk5 s ILE 298 CO 0.01 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3dk5 n GLY 299 N 3.19 -0.87 4.00 6.18 0.00 0.75 -2.27 105.19 116.18 3dk5 n GLY 299 Ca -0.18 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 3dk5 n GLY 299 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dk5 s GLY 300 N -0.94 1.87 -1.46 -0.02 0.00 -1.26 -2.80 107.32 102.71 3dk5 s GLY 300 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.15 3dk5 s GLY 300 CO 0.00 -1.39 0.00 0.54 0.00 0.00 0.00 173.10 172.25 3dk5 n ARG 301 N -1.89 -1.52 -2.08 2.90 1.74 -0.30 -0.56 116.66 114.95 3dk5 n ARG 301 Ca 0.07 0.82 -0.27 0.00 -0.77 0.00 0.00 57.85 57.69 3dk5 n ARG 301 Cb 0.59 -5.17 0.07 0.00 -1.02 0.00 0.00 32.46 26.93 3dk5 n ARG 301 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dk5 s VAL 303 N -3.35 1.10 -0.44 0.00 1.01 -0.73 -1.31 120.40 116.67 3dk5 s VAL 303 Ca 0.60 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3dk5 s VAL 303 Cb -0.11 -1.33 0.08 0.00 0.00 0.00 0.00 36.38 35.02 3dk5 s VAL 303 CO 0.47 0.05 0.33 -0.69 0.00 0.00 0.00 175.10 175.26 3dk5 s VAL 304 N 1.62 4.72 0.00 2.92 1.01 -0.04 0.14 120.40 130.78 3dk5 s VAL 304 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.74 3dk5 s VAL 304 Cb -0.16 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3dk5 s VAL 304 CO -0.07 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.09 3dk5 n GLY 305 N 5.06 -0.97 4.02 4.51 0.00 -0.34 0.19 105.19 117.66 3dk5 n GLY 305 Ca -0.11 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 3dk5 n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dk5 s PRO 306 N 0.00 2.34 -1.49 1.61 0.04 -1.26 -2.99 135.00 133.24 3dk5 s PRO 306 Ca 0.00 -1.38 -0.01 0.00 0.04 0.00 0.00 61.00 59.64 3dk5 s PRO 306 Cb 0.00 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.95 3dk5 s PRO 306 CO 0.00 -0.81 0.26 -0.25 0.04 0.00 0.00 177.00 176.23 3dk5 n ASP 307 N -2.26 0.08 -4.54 6.66 8.00 -0.91 -1.66 116.55 121.92 3dk5 n ASP 307 Ca 0.13 -1.13 -0.34 0.00 0.71 0.00 0.00 54.79 54.16 3dk5 n ASP 307 Cb 0.61 -2.37 -0.12 0.00 -0.02 0.00 0.00 41.12 39.21 3dk5 n ASP 307 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dk5 s THR 308 N -4.10 3.69 -0.16 -3.53 2.01 -1.22 -3.68 115.64 108.65 3dk5 s THR 308 Ca 0.05 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 3dk5 s THR 308 Cb -0.03 -2.54 0.04 0.00 0.01 0.00 0.00 72.50 69.97 3dk5 s THR 308 CO 0.94 0.56 -0.07 -0.89 -0.69 0.00 0.00 174.62 174.48 3dk5 s THR 309 N -0.34 1.15 -0.10 -0.82 2.01 -0.17 -1.50 115.64 115.86 3dk5 s THR 309 Ca 0.05 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.48 3dk5 s THR 309 Cb -0.12 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.14 3dk5 s THR 309 CO 0.02 0.20 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.29 3dk5 s LEU 310 N 1.63 1.42 -0.22 4.42 1.43 -0.56 -0.48 118.68 126.31 3dk5 s LEU 310 Ca 0.02 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3dk5 s LEU 310 Cb -0.15 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.20 3dk5 s LEU 310 CO -0.08 -0.06 -0.10 -0.89 0.23 0.00 0.00 176.35 175.45 3dk5 s THR 311 N 1.31 2.70 -1.11 5.49 2.01 -1.04 0.40 115.64 125.40 3dk5 s THR 311 Ca -0.02 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 3dk5 s THR 311 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.08 3dk5 s THR 311 CO -0.04 0.32 0.93 0.47 -0.69 0.00 0.00 174.62 175.61 3dk5 n ASP 312 N 4.67 -2.34 -4.30 3.53 8.00 -0.89 -1.66 116.55 123.55 3dk5 n ASP 312 Ca -0.18 -0.56 -0.31 0.00 0.71 0.00 0.00 54.79 54.44 3dk5 n ASP 312 Cb 0.48 -4.74 -0.16 0.00 -0.02 0.00 0.00 41.12 36.68 3dk5 n ASP 312 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dk5 s VAL 313 N -3.33 2.17 -0.15 2.53 1.01 -1.26 -2.38 120.40 119.00 3dk5 s VAL 313 Ca 0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3dk5 s VAL 313 Cb -0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3dk5 s VAL 313 CO 0.67 0.57 -0.08 0.00 0.00 0.00 0.00 175.10 176.26 3dk5 s ALA 314 N -0.34 2.81 -0.06 5.51 0.00 -0.80 -0.38 121.76 128.49 3dk5 s ALA 314 Ca 0.02 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.15 3dk5 s ALA 314 Cb -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.60 3dk5 s ALA 314 CO 0.02 0.20 -0.16 0.08 0.00 0.00 0.00 175.76 175.90 3dk5 s VAL 315 N 0.40 1.40 0.00 0.00 1.01 0.14 -1.16 120.40 122.19 3dk5 s VAL 315 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3dk5 s VAL 315 Cb -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.00 3dk5 s VAL 315 CO 0.04 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3dk5 n GLY 316 N 3.48 -1.39 3.78 4.51 0.00 -0.84 -0.17 105.19 114.55 3dk5 n GLY 316 Ca -0.20 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 3dk5 n GLY 316 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dk5 s ASP 317 N -1.12 7.39 0.00 1.61 1.01 -1.26 -3.23 116.67 121.07 3dk5 s ASP 317 Ca 0.00 1.65 0.00 0.00 0.71 0.00 0.00 52.55 54.91 3dk5 s ASP 317 Cb 0.00 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.43 3dk5 s ASP 317 CO 0.00 0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.19 3dk5 n GLY 318 N 1.56 0.57 3.83 0.21 0.00 0.28 -1.52 105.19 110.12 3dk5 n GLY 318 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3dk5 n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk5 s ALA 319 N -2.45 3.10 -0.16 4.61 0.00 -1.26 -3.86 121.76 121.73 3dk5 s ALA 319 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 3dk5 s ALA 319 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3dk5 s ALA 319 CO 0.00 0.12 -0.06 0.45 0.00 0.00 0.00 175.76 176.27 3dk5 s SER 320 N -2.31 4.51 -0.33 0.00 0.15 -0.08 -1.78 113.70 113.85 3dk5 s SER 320 Ca 0.60 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 3dk5 s SER 320 Cb -0.09 -1.73 0.11 0.00 -1.71 0.00 0.00 66.02 62.59 3dk5 s SER 320 CO 0.16 0.13 0.13 -0.69 1.20 0.00 0.00 173.24 174.17 3dk5 s VAL 321 N 0.58 0.75 -0.05 4.45 1.01 0.12 -0.96 120.40 126.30 3dk5 s VAL 321 Ca -0.04 -1.50 0.05 0.00 0.00 0.00 0.00 61.98 60.49 3dk5 s VAL 321 Cb -0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3dk5 s VAL 321 CO 0.03 -0.74 -0.20 -0.69 0.00 0.00 0.00 175.10 173.50 3dk5 s VAL 322 N 1.46 2.57 -0.80 2.92 1.01 -0.29 -1.20 120.40 126.07 3dk5 s VAL 322 Ca 0.12 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3dk5 s VAL 322 Cb -0.19 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.23 3dk5 s VAL 322 CO -0.21 0.58 0.52 0.54 0.00 0.00 0.00 175.10 176.52 3dk5 n ARG 323 N 2.63 -0.93 -4.57 2.72 1.74 -0.67 -3.99 116.66 113.59 3dk5 n ARG 323 Ca -0.17 0.36 -0.21 0.00 -0.77 0.00 0.00 57.85 57.06 3dk5 n ARG 323 Cb 0.52 -1.82 -0.15 0.00 -1.02 0.00 0.00 32.46 29.99 3dk5 n ARG 323 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dk5 s THR 324 N -3.18 1.00 -0.29 0.55 2.01 -1.24 0.61 115.64 115.11 3dk5 s THR 324 Ca 0.15 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.61 3dk5 s THR 324 Cb -0.09 -0.84 0.06 0.00 0.01 0.00 0.00 72.50 71.65 3dk5 s THR 324 CO 0.76 0.28 -0.04 -2.28 -0.69 0.00 0.00 174.62 172.66 3dk5 s HIS 325 N -0.30 3.29 0.08 4.92 2.46 -0.75 -0.99 115.29 124.00 3dk5 s HIS 325 Ca 0.05 -2.12 -0.02 0.00 0.47 0.00 0.00 55.06 53.43 3dk5 s HIS 325 Cb -0.05 -2.09 -0.03 0.00 -0.13 0.00 0.00 32.58 30.28 3dk5 s HIS 325 CO -0.00 -0.85 0.04 0.20 -2.47 0.00 0.00 174.74 171.66 3dk5 s GLY 326 N 1.19 0.58 0.13 1.59 0.00 0.37 -1.95 107.32 109.23 3dk5 s GLY 326 Ca -0.06 -1.20 -0.21 0.00 0.00 0.00 0.00 44.72 43.25 3dk5 s GLY 326 CO -0.03 -1.24 0.54 -1.35 0.00 0.00 0.00 173.10 171.01 3dk5 s SER 327 N -2.95 -0.47 -0.45 1.64 1.04 -1.01 -2.50 113.70 109.00 3dk5 s SER 327 Ca 0.12 -0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 3dk5 s SER 327 Cb 0.07 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3dk5 s SER 327 CO -0.06 -0.91 0.44 -1.20 0.98 0.00 0.00 173.24 172.49 3dk5 n SER 328 N -0.23 -3.52 -3.73 7.02 7.64 -0.67 -3.48 113.62 116.65 3dk5 n SER 328 Ca -0.17 -0.41 -0.08 0.00 1.01 0.00 0.00 58.87 59.22 3dk5 n SER 328 Cb 0.64 -1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 3dk5 n SER 328 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dk5 s SER 329 N -1.87 -0.34 0.02 6.43 0.01 -1.15 -0.79 113.70 116.00 3dk5 s SER 329 Ca 0.13 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.98 3dk5 s SER 329 Cb -0.01 0.67 -0.01 0.00 0.21 0.00 0.00 66.02 66.88 3dk5 s SER 329 CO 0.61 -1.21 -0.04 -0.94 0.41 0.00 0.00 173.24 172.08 3dk5 s SER 330 N -2.87 0.40 -0.10 2.44 1.04 -0.19 -1.91 113.70 112.51 3dk5 s SER 330 Ca 0.08 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.20 3dk5 s SER 330 Cb -0.04 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.13 3dk5 s SER 330 CO 0.01 -0.14 -0.11 -0.63 0.98 0.00 0.00 173.24 173.35 3dk5 s ILE 331 N -0.84 1.19 0.43 -1.02 1.01 -0.31 -1.57 121.20 120.09 3dk5 s ILE 331 Ca -0.07 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 3dk5 s ILE 331 Cb -0.06 -1.14 0.10 0.00 0.01 0.00 0.00 42.46 41.37 3dk5 s ILE 331 CO -0.00 0.39 0.56 0.61 0.00 0.00 0.00 174.94 176.49 3dk5 n GLY 332 N 4.51 -1.44 3.77 6.18 0.00 -0.27 -1.99 105.19 115.95 3dk5 n GLY 332 Ca -0.17 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 3dk5 n GLY 332 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dk5 s ASP 333 N -3.04 6.30 -0.56 1.61 1.11 -1.26 -3.36 116.67 117.47 3dk5 s ASP 333 Ca 0.32 2.52 0.00 0.00 0.18 0.00 0.00 52.55 55.57 3dk5 s ASP 333 Cb -0.01 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.35 3dk5 s ASP 333 CO 0.23 -0.84 0.00 0.61 1.18 0.00 0.00 175.17 176.34 3dk5 n GLY 334 N 0.64 0.50 3.81 0.21 0.00 -0.57 -0.29 105.19 109.48 3dk5 n GLY 334 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3dk5 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk5 s ALA 335 N -1.29 2.63 -0.15 4.61 0.00 -1.21 -4.14 121.76 122.20 3dk5 s ALA 335 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 3dk5 s ALA 335 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.95 3dk5 s ALA 335 CO 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 175.76 174.49 3dk5 s ALA 336 N -2.85 1.57 -0.08 0.00 0.00 -0.50 -0.90 121.76 119.00 3dk5 s ALA 336 Ca 0.60 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.78 3dk5 s ALA 336 Cb -0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3dk5 s ALA 336 CO 0.50 -0.64 -0.23 0.08 0.00 0.00 0.00 175.76 175.47 3dk5 s VAL 337 N 1.60 2.23 0.00 0.00 1.01 -0.14 -0.62 120.40 124.48 3dk5 s VAL 337 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3dk5 s VAL 337 Cb -0.14 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3dk5 s VAL 337 CO -0.08 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3dk5 n GLY 338 N 3.19 1.71 3.88 4.51 0.00 -0.74 -1.14 105.19 116.60 3dk5 n GLY 338 Ca -0.18 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.41 3dk5 n GLY 338 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dk5 s PRO 339 N -1.74 3.71 -0.40 1.61 0.04 -1.26 -4.33 135.00 132.63 3dk5 s PRO 339 Ca 0.00 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.46 3dk5 s PRO 339 Cb 0.00 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 3dk5 s PRO 339 CO 0.00 -0.12 0.36 1.19 0.04 0.00 0.00 177.00 178.47 3dk5 n PHE 340 N -1.65 -1.17 -4.26 0.56 3.72 0.20 -3.70 117.46 111.15 3dk5 n PHE 340 Ca 0.02 0.43 -0.19 0.00 -0.05 0.00 0.00 57.45 57.66 3dk5 n PHE 340 Cb 0.54 -2.98 -0.13 0.00 -0.94 0.00 0.00 39.48 35.98 3dk5 n PHE 340 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3dk5 s THR 341 N -3.10 1.01 -0.18 4.37 2.01 -1.08 0.14 115.64 118.80 3dk5 s THR 341 Ca 0.12 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3dk5 s THR 341 Cb -0.02 -0.94 0.04 0.00 0.01 0.00 0.00 72.50 71.59 3dk5 s THR 341 CO 0.32 -0.09 -0.10 -0.47 -0.69 0.00 0.00 174.62 173.59 3dk5 s TYR 342 N -0.98 2.22 -0.29 4.92 5.04 -0.61 -1.81 117.35 125.85 3dk5 s TYR 342 Ca -0.01 -1.40 -0.08 0.00 -2.44 0.00 0.00 57.07 53.15 3dk5 s TYR 342 Cb -0.08 -1.57 -0.00 0.00 0.35 0.00 0.00 41.96 40.66 3dk5 s TYR 342 CO 0.01 -0.70 0.09 -0.51 -1.34 0.00 0.00 175.55 173.11 3dk5 s LEU 343 N 1.46 3.84 0.40 6.97 1.43 -0.82 -1.64 118.68 130.32 3dk5 s LEU 343 Ca 0.01 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3dk5 s LEU 343 Cb -0.15 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3dk5 s LEU 343 CO -0.09 -0.17 0.65 -0.13 0.23 0.00 0.00 176.35 176.84 3dk5 s ARG 344 N 1.54 3.52 0.20 1.70 0.52 0.56 -2.41 118.95 124.59 3dk5 s ARG 344 Ca 0.04 -0.09 -0.31 0.00 -0.52 0.00 0.00 55.73 54.85 3dk5 s ARG 344 Cb -0.17 -2.54 -0.16 0.00 0.52 0.00 0.00 34.95 32.61 3dk5 s ARG 344 CO 0.03 0.00 1.03 -2.30 0.02 0.00 0.00 175.30 174.09 3dk5 n PRO 345 N -1.93 1.02 -0.29 3.54 -0.02 -1.23 -3.08 135.00 133.01 3dk5 n PRO 345 Ca -0.02 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3dk5 n PRO 345 Cb 0.56 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3dk5 n PRO 345 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dk5 n GLY 346 N 1.76 0.74 3.69 -1.23 0.00 0.02 -1.32 105.19 108.85 3dk5 n GLY 346 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3dk5 n GLY 346 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dk5 s THR 347 N -2.30 4.04 -0.14 2.61 2.01 -1.18 -2.35 115.64 118.33 3dk5 s THR 347 Ca 0.00 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.39 3dk5 s THR 347 Cb 0.00 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.64 3dk5 s THR 347 CO 0.00 -0.00 -0.12 0.00 -0.69 0.00 0.00 174.62 173.81 3dk5 s ALA 348 N 2.31 1.66 -0.10 7.40 0.00 -0.08 -1.02 121.76 131.92 3dk5 s ALA 348 Ca 0.59 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.81 3dk5 s ALA 348 Cb -0.27 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 3dk5 s ALA 348 CO 0.24 -0.39 -0.21 -1.17 0.00 0.00 0.00 175.76 174.22 3dk5 s LEU 349 N 1.57 2.25 0.00 0.00 2.96 -0.61 -0.33 118.68 124.52 3dk5 s LEU 349 Ca 0.05 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 3dk5 s LEU 349 Cb -0.13 -1.46 0.10 0.00 0.50 0.00 0.00 46.19 45.21 3dk5 s LEU 349 CO -0.10 0.17 0.62 0.61 -1.32 0.00 0.00 176.35 176.34 3dk5 n GLY 350 N 3.44 -0.48 3.79 7.98 0.00 1.00 -1.11 105.19 119.81 3dk5 n GLY 350 Ca -0.19 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 3dk5 n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk5 s ALA 351 N -3.56 3.08 -0.83 4.61 0.00 -1.26 -2.15 121.76 121.64 3dk5 s ALA 351 Ca 0.37 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3dk5 s ALA 351 Cb -0.01 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3dk5 s ALA 351 CO 0.26 -0.16 0.00 -0.25 0.00 0.00 0.00 175.76 175.61 3dk5 n ASP 352 N -0.11 -5.64 -4.44 0.00 8.00 0.60 -1.67 116.55 113.28 3dk5 n ASP 352 Ca 0.05 0.19 -0.29 0.00 0.71 0.00 0.00 54.79 55.45 3dk5 n ASP 352 Cb 0.50 -3.83 0.15 0.00 -0.02 0.00 0.00 41.12 37.92 3dk5 n ASP 352 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dk5 s GLY 353 N -2.32 1.68 -0.11 0.44 0.00 -0.91 -3.87 107.32 102.23 3dk5 s GLY 353 Ca 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 3dk5 s GLY 353 CO 0.00 -0.25 0.25 1.25 0.00 0.00 0.00 173.10 174.35 3dk5 s LYS 354 N -5.67 0.22 -0.22 2.90 2.20 -0.62 -1.41 119.74 117.13 3dk5 s LYS 354 Ca 0.69 0.53 0.02 0.00 -0.36 0.00 0.00 55.97 56.85 3dk5 s LYS 354 Cb -0.08 -0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.18 3dk5 s LYS 354 CO 0.52 -0.16 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.72 3dk5 s LEU 355 N 1.22 2.74 0.00 5.43 1.43 0.20 -1.07 118.68 128.64 3dk5 s LEU 355 Ca -0.09 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 3dk5 s LEU 355 Cb -0.10 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3dk5 s LEU 355 CO -0.08 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3dk5 n GLY 356 N 4.56 1.09 3.76 -3.19 0.00 -0.03 -1.79 105.19 109.60 3dk5 n GLY 356 Ca -0.16 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 3dk5 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk5 s ALA 357 N -2.74 3.35 -1.65 4.61 0.00 -1.13 -3.33 121.76 120.89 3dk5 s ALA 357 Ca 0.00 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 3dk5 s ALA 357 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3dk5 s ALA 357 CO 0.00 -0.31 0.07 1.19 0.00 0.00 0.00 175.76 176.71 3dk5 n PHE 358 N 0.83 -1.04 -4.00 0.00 3.72 0.37 -2.34 117.46 114.99 3dk5 n PHE 358 Ca 0.00 0.06 -0.34 0.00 -0.05 0.00 0.00 57.45 57.12 3dk5 n PHE 358 Cb 0.45 -3.85 -0.06 0.00 -0.94 0.00 0.00 39.48 35.08 3dk5 n PHE 358 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dk5 s VAL 359 N -3.00 5.11 0.01 -4.37 1.01 -1.21 -2.95 120.40 115.00 3dk5 s VAL 359 Ca 0.03 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.87 3dk5 s VAL 359 Cb -0.01 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3dk5 s VAL 359 CO 0.04 0.39 -0.20 -0.70 0.00 0.00 0.00 175.10 174.64 3dk5 s GLU 360 N -1.67 1.50 -0.03 2.72 2.12 -0.66 -1.57 118.70 121.12 3dk5 s GLU 360 Ca 0.23 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.77 3dk5 s GLU 360 Cb -0.12 -1.51 0.02 0.00 0.26 0.00 0.00 34.13 32.77 3dk5 s GLU 360 CO 0.14 0.40 -0.03 0.08 -0.54 0.00 0.00 175.26 175.32 3dk5 s VAL 361 N -0.60 0.34 -0.06 3.70 1.01 -0.65 -1.35 120.40 122.78 3dk5 s VAL 361 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3dk5 s VAL 361 Cb -0.08 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.94 3dk5 s VAL 361 CO 0.00 0.16 -0.13 -0.75 0.00 0.00 0.00 175.10 174.38 3dk5 s LYS 362 N 0.68 1.68 -1.35 2.72 2.20 -0.54 -0.32 119.74 124.81 3dk5 s LYS 362 Ca -0.08 -0.43 -0.13 0.00 -0.36 0.00 0.00 55.97 54.98 3dk5 s LYS 362 Cb -0.11 -1.40 0.01 0.00 -1.51 0.00 0.00 37.83 34.82 3dk5 s LYS 362 CO -0.01 0.05 0.44 -1.71 -0.36 0.00 0.00 175.35 173.76 3dk5 n ASN 363 N 3.72 -1.81 -4.00 1.43 5.15 -0.43 -1.80 115.26 117.52 3dk5 n ASN 363 Ca -0.22 -1.16 -0.09 0.00 -0.60 0.00 0.00 54.58 52.51 3dk5 n ASN 363 Cb 0.52 -2.35 -0.11 0.00 -0.53 0.00 0.00 39.78 37.31 3dk5 n ASN 363 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3dk5 s SER 364 N -4.00 0.29 -0.12 1.20 0.01 -0.99 -3.02 113.70 107.07 3dk5 s SER 364 Ca 0.21 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.90 3dk5 s SER 364 Cb -0.10 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 3dk5 s SER 364 CO 0.94 -0.35 -0.14 -0.89 0.41 0.00 0.00 173.24 173.21 3dk5 s THR 365 N -1.86 2.96 -0.08 1.44 2.01 -0.69 -0.91 115.64 118.52 3dk5 s THR 365 Ca -0.12 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 3dk5 s THR 365 Cb -0.07 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.24 3dk5 s THR 365 CO -0.02 0.53 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.78 3dk5 s ILE 366 N 0.24 0.61 1.14 1.82 1.01 0.55 0.13 121.20 126.70 3dk5 s ILE 366 Ca -0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 3dk5 s ILE 366 Cb -0.16 -0.70 0.27 0.00 0.01 0.00 0.00 42.46 41.88 3dk5 s ILE 366 CO 0.05 0.29 1.17 -0.83 0.00 0.00 0.00 174.94 175.63 3dk5 s GLY 367 N 1.74 1.64 -0.04 6.18 0.00 0.19 -0.00 107.32 117.03 3dk5 s GLY 367 Ca 0.03 -1.05 -0.34 0.00 0.00 0.00 0.00 44.72 43.36 3dk5 s GLY 367 CO -0.05 -0.18 1.81 2.41 0.00 0.00 0.00 173.10 177.09 3dk5 n THR 368 N -4.51 0.45 -0.63 0.90 -1.04 -1.26 -3.07 114.28 105.12 3dk5 n THR 368 Ca 0.14 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3dk5 n THR 368 Cb 0.60 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 3dk5 n THR 368 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dk5 n GLY 369 N 4.18 1.06 3.80 3.41 0.00 -0.67 -0.08 105.19 116.88 3dk5 n GLY 369 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3dk5 n GLY 369 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dk5 s THR 370 N -3.36 4.38 -0.08 2.61 2.01 -1.18 -4.07 115.64 115.95 3dk5 s THR 370 Ca 0.00 1.57 0.03 0.00 0.31 0.00 0.00 61.69 63.60 3dk5 s THR 370 Cb 0.00 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3dk5 s THR 370 CO 0.00 0.13 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.35 3dk5 s LYS 371 N -2.12 2.25 -0.63 4.92 1.02 -0.60 -1.59 119.74 122.98 3dk5 s LYS 371 Ca 0.48 -0.60 0.05 0.00 0.02 0.00 0.00 55.97 55.91 3dk5 s LYS 371 Cb -0.17 -1.77 0.17 0.00 -0.52 0.00 0.00 37.83 35.54 3dk5 s LYS 371 CO 0.22 0.09 0.45 0.08 -0.92 0.00 0.00 175.35 175.27 3dk5 s VAL 372 N 0.53 2.33 -0.34 3.17 1.01 -0.23 -1.63 120.40 125.24 3dk5 s VAL 372 Ca -0.16 -3.88 0.25 0.00 0.00 0.00 0.00 61.98 58.19 3dk5 s VAL 372 Cb -0.17 -2.54 0.35 0.00 0.00 0.00 0.00 36.38 34.02 3dk5 s VAL 372 CO 0.06 -1.04 1.70 1.55 0.00 0.00 0.00 175.10 177.37 3dk5 h PRO 373 N 5.51 0.00 -2.13 2.72 0.13 -1.82 -0.03 132.00 136.39 3dk5 h PRO 373 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 3dk5 h PRO 373 Cb 0.79 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.70 3dk5 h PRO 373 CO 0.64 0.00 -0.03 -1.01 -0.23 0.00 0.00 178.00 177.37 3dk5 s HIS 374 N -3.30 -0.95 -1.49 1.56 3.76 -1.26 -2.81 115.29 110.79 3dk5 s HIS 374 Ca 0.06 1.95 -0.05 0.00 -0.15 0.00 0.00 55.06 56.88 3dk5 s HIS 374 Cb 0.06 0.53 0.02 0.00 1.11 0.00 0.00 32.58 34.31 3dk5 s HIS 374 CO 0.63 -0.48 0.45 1.28 -0.85 0.00 0.00 174.74 175.78 3dk5 n LEU 375 N 4.14 -2.21 -4.48 0.89 4.77 -0.99 -1.81 117.00 117.30 3dk5 n LEU 375 Ca -0.20 -0.23 -0.25 0.00 -0.03 0.00 0.00 56.01 55.30 3dk5 n LEU 375 Cb 0.58 -2.72 -0.10 0.00 -2.33 0.00 0.00 43.42 38.85 3dk5 n LEU 375 CO 0.01 0.13 -0.47 0.42 -1.33 0.00 0.00 177.39 176.14 3dk5 s THR 376 N -3.06 2.58 -0.12 -5.08 -4.23 -1.15 -3.12 115.64 101.47 3dk5 s THR 376 Ca 0.26 -2.26 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3dk5 s THR 376 Cb -0.12 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3dk5 s THR 376 CO 0.32 -0.34 -0.22 -0.47 -0.54 0.00 0.00 174.62 173.37 3dk5 s TYR 377 N -2.31 2.63 -0.29 3.99 5.04 -0.80 -1.65 117.35 123.95 3dk5 s TYR 377 Ca 0.28 -1.12 0.01 0.00 -2.44 0.00 0.00 57.07 53.81 3dk5 s TYR 377 Cb -0.06 -1.76 0.06 0.00 0.35 0.00 0.00 41.96 40.55 3dk5 s TYR 377 CO 0.15 -0.47 -0.04 0.08 -1.34 0.00 0.00 175.55 173.92 3dk5 s VAL 378 N 0.52 2.48 -0.09 3.14 1.01 -0.46 -1.28 120.40 125.72 3dk5 s VAL 378 Ca -0.14 -1.68 0.03 0.00 0.00 0.00 0.00 61.98 60.20 3dk5 s VAL 378 Cb -0.17 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.71 3dk5 s VAL 378 CO 0.05 -0.16 -0.19 -0.83 0.00 0.00 0.00 175.10 173.96 3dk5 s GLY 379 N 1.16 1.13 -1.27 4.51 0.00 -1.26 -1.47 107.32 110.12 3dk5 s GLY 379 Ca -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 3dk5 s GLY 379 CO -0.04 -0.12 0.67 1.22 0.00 0.00 0.00 173.10 174.82 3dk5 n ASP 380 N 3.70 -2.28 -4.22 1.64 8.00 -0.74 -4.82 116.55 117.83 3dk5 n ASP 380 Ca -0.20 -0.91 -0.12 0.00 0.71 0.00 0.00 54.79 54.27 3dk5 n ASP 380 Cb 0.52 -3.72 -0.10 0.00 -0.02 0.00 0.00 41.12 37.80 3dk5 n ASP 380 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dk5 s ALA 381 N -3.67 1.22 -0.08 2.24 0.00 -1.25 -3.93 121.76 116.30 3dk5 s ALA 381 Ca 0.14 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.61 3dk5 s ALA 381 Cb -0.04 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 3dk5 s ALA 381 CO 0.84 -0.34 -0.24 -0.51 0.00 0.00 0.00 175.76 175.51 3dk5 s ASP 382 N -3.14 2.99 -0.01 0.00 1.01 -0.89 -1.70 116.67 114.93 3dk5 s ASP 382 Ca 0.22 -0.52 0.06 0.00 0.71 0.00 0.00 52.55 53.03 3dk5 s ASP 382 Cb 0.06 -1.08 -0.02 0.00 1.01 0.00 0.00 42.92 42.90 3dk5 s ASP 382 CO 0.03 0.20 -0.19 -0.63 0.21 0.00 0.00 175.17 174.78 3dk5 s ILE 383 N 0.09 1.49 0.00 0.77 1.01 0.12 -0.62 121.20 124.07 3dk5 s ILE 383 Ca -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3dk5 s ILE 383 Cb -0.16 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.07 3dk5 s ILE 383 CO 0.06 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3dk5 n GLY 384 N 2.55 0.42 3.88 6.18 0.00 -0.38 -0.64 105.19 117.22 3dk5 n GLY 384 Ca -0.15 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 3dk5 n GLY 384 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dk5 s GLU 385 N 0.52 3.28 -1.19 1.61 2.02 -1.26 -2.31 118.70 121.38 3dk5 s GLU 385 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.45 3dk5 s GLU 385 Cb 0.00 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.29 3dk5 s GLU 385 CO 0.00 0.58 0.00 0.66 0.02 0.00 0.00 175.26 176.52 3dk5 n TYR 386 N 0.18 -1.19 -2.81 1.61 4.02 0.88 -0.73 117.16 119.12 3dk5 n TYR 386 Ca -0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.54 3dk5 n TYR 386 Cb 0.52 -2.84 -0.02 0.00 -0.02 0.00 0.00 39.34 36.98 3dk5 n TYR 386 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3dk5 s SER 387 N -2.05 6.37 -0.09 7.72 0.01 -1.26 -3.54 113.70 120.86 3dk5 s SER 387 Ca 0.00 0.96 0.01 0.00 1.31 0.00 0.00 55.95 58.23 3dk5 s SER 387 Cb 0.00 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.99 3dk5 s SER 387 CO 0.00 -0.47 -0.10 0.21 0.41 0.00 0.00 173.24 173.29 3dk5 s ASN 388 N -3.67 1.95 -0.17 2.44 2.47 0.19 -1.56 114.94 116.60 3dk5 s ASN 388 Ca 0.48 -0.30 -0.06 0.00 0.42 0.00 0.00 52.86 53.40 3dk5 s ASN 388 Cb -0.10 -0.84 -0.03 0.00 -1.45 0.00 0.00 41.25 38.83 3dk5 s ASN 388 CO 0.38 -0.03 0.01 -0.63 -3.72 0.00 0.00 177.10 173.11 3dk5 s ILE 389 N 1.13 4.32 0.59 -5.21 -1.09 -0.65 -1.58 121.20 118.72 3dk5 s ILE 389 Ca -0.06 -0.20 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 3dk5 s ILE 389 Cb -0.14 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3dk5 s ILE 389 CO -0.02 0.47 0.97 -0.83 -1.23 0.00 0.00 174.94 174.30 3dk5 s GLY 390 N 0.45 1.61 0.52 6.18 0.00 -1.05 -4.26 107.32 110.77 3dk5 s GLY 390 Ca -0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.26 3dk5 s GLY 390 CO 0.02 0.01 1.11 0.00 0.00 0.00 0.00 173.10 174.24 3dk5 n ALA 391 N -2.65 0.68 -3.20 3.20 0.00 -1.26 -3.77 120.51 113.52 3dk5 n ALA 391 Ca 0.05 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.46 3dk5 n ALA 391 Cb 0.55 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 17.88 3dk5 n ALA 391 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dk5 n SER 392 N -0.35 -3.76 -4.83 0.00 2.88 -0.75 -1.03 113.62 105.78 3dk5 n SER 392 Ca 0.11 -0.43 -0.22 0.00 -1.33 0.00 0.00 58.87 57.00 3dk5 n SER 392 Cb 0.43 -3.92 -0.04 0.00 -0.75 0.00 0.00 64.21 59.93 3dk5 n SER 392 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3dk5 s SER 393 N -3.60 5.06 -0.08 -3.46 0.01 -1.24 -3.21 113.70 107.16 3dk5 s SER 393 Ca 0.23 -0.65 -0.04 0.00 1.31 0.00 0.00 55.95 56.80 3dk5 s SER 393 Cb -0.10 -0.78 0.04 0.00 0.21 0.00 0.00 66.02 65.39 3dk5 s SER 393 CO 0.55 -0.44 0.19 -0.69 0.41 0.00 0.00 173.24 173.26 3dk5 s VAL 394 N -2.39 -0.06 -0.61 3.43 1.01 -1.03 -1.91 120.40 118.84 3dk5 s VAL 394 Ca 0.42 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 3dk5 s VAL 394 Cb -0.04 -0.31 0.08 0.00 0.00 0.00 0.00 36.38 36.11 3dk5 s VAL 394 CO 0.26 0.07 0.83 -0.36 0.00 0.00 0.00 175.10 175.90 3dk5 s PHE 395 N 1.28 2.84 0.12 5.22 0.08 -0.41 -0.44 117.98 126.67 3dk5 s PHE 395 Ca -0.09 -0.63 -0.11 0.00 0.12 0.00 0.00 56.93 56.23 3dk5 s PHE 395 Cb -0.11 -4.08 -0.06 0.00 -0.57 0.00 0.00 43.02 38.20 3dk5 s PHE 395 CO -0.07 -1.42 0.46 0.08 -0.10 0.00 0.00 175.22 174.17 3dk5 s VAL 396 N 3.41 5.01 0.52 -0.44 1.01 -0.21 -4.07 120.40 125.63 3dk5 s VAL 396 Ca 0.19 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.79 3dk5 s VAL 396 Cb -0.19 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.60 3dk5 s VAL 396 CO 0.10 0.22 0.67 0.59 0.00 0.00 0.00 175.10 176.69 3dk5 n ASN 397 N 0.72 2.02 -0.12 3.32 3.02 -1.26 -0.59 115.26 122.37 3dk5 n ASN 397 Ca -0.06 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.05 3dk5 n ASN 397 Cb 0.52 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3dk5 n ASN 397 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dk5 n LYS 403 N -2.07 0.00 -0.11 3.52 4.76 -1.26 -4.96 118.16 118.04 3dk5 n LYS 403 Ca 0.12 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.32 3dk5 n LYS 403 Cb 0.55 -1.00 -0.11 0.00 -1.84 0.00 0.00 35.03 32.62 3dk5 n LYS 403 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3dk5 n ARG 404 N -0.25 0.61 -0.51 1.97 -4.01 -1.26 -5.12 116.66 108.09 3dk5 n ARG 404 Ca 0.00 0.38 0.00 0.00 -1.04 0.00 0.00 57.85 57.19 3dk5 n ARG 404 Cb 0.00 -1.63 0.00 0.00 -3.04 0.00 0.00 32.46 27.79 3dk5 n ARG 404 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3dk5 n ARG 405 N -4.12 -1.45 -2.80 2.89 1.74 -1.26 -4.97 116.66 106.68 3dk5 n ARG 405 Ca -0.42 1.08 -0.37 0.00 -0.77 0.00 0.00 57.85 57.37 3dk5 n ARG 405 Cb 0.84 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 30.99 3dk5 n ARG 405 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dk5 s THR 406 N -2.43 4.21 -0.03 0.55 2.01 -1.25 -4.25 115.64 114.46 3dk5 s THR 406 Ca 0.00 1.83 0.02 0.00 0.31 0.00 0.00 61.69 63.85 3dk5 s THR 406 Cb 0.00 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.46 3dk5 s THR 406 CO 0.00 0.21 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.17 3dk5 s THR 407 N -1.53 0.70 -0.07 -0.82 2.01 0.09 -2.10 115.64 113.93 3dk5 s THR 407 Ca 0.48 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.21 3dk5 s THR 407 Cb -0.20 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.68 3dk5 s THR 407 CO 0.25 0.23 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 3dk5 s VAL 408 N 0.28 1.48 0.00 3.82 1.01 0.21 -1.06 120.40 126.14 3dk5 s VAL 408 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3dk5 s VAL 408 Cb -0.09 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3dk5 s VAL 408 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3dk5 n GLY 409 N 3.55 -1.01 3.93 4.51 0.00 0.10 -1.24 105.19 115.02 3dk5 n GLY 409 Ca -0.21 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 3dk5 n GLY 409 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dk5 s SER 410 N -1.02 6.39 -1.58 1.61 0.01 -1.26 -3.03 113.70 114.82 3dk5 s SER 410 Ca 0.00 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.69 3dk5 s SER 410 Cb 0.00 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.21 3dk5 s SER 410 CO 0.00 -0.06 0.00 1.41 0.41 0.00 0.00 173.24 175.00 3dk5 n HIS 411 N -0.70 -0.04 -2.91 2.43 8.25 0.10 -0.71 115.22 121.63 3dk5 n HIS 411 Ca -0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.03 3dk5 n HIS 411 Cb 0.54 -2.68 -0.06 0.00 1.12 0.00 0.00 29.99 28.90 3dk5 n HIS 411 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dk5 s VAL 412 N -2.57 4.29 -0.19 1.59 1.01 -1.26 -3.67 120.40 119.60 3dk5 s VAL 412 Ca 0.00 1.77 -0.00 0.00 0.00 0.00 0.00 61.98 63.75 3dk5 s VAL 412 Cb 0.00 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.29 3dk5 s VAL 412 CO 0.00 0.43 -0.05 -0.13 0.00 0.00 0.00 175.10 175.35 3dk5 s ARG 413 N -1.38 1.47 -0.05 2.72 0.52 -0.71 0.57 118.95 122.10 3dk5 s ARG 413 Ca 0.40 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.92 3dk5 s ARG 413 Cb -0.23 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 3dk5 s ARG 413 CO 0.27 -0.50 0.07 0.95 0.02 0.00 0.00 175.30 176.11 3dk5 s THR 414 N 1.57 4.74 0.64 0.02 -4.23 -0.61 -1.72 115.64 116.05 3dk5 s THR 414 Ca -0.01 -0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.22 3dk5 s THR 414 Cb -0.16 -3.10 0.05 0.00 1.34 0.00 0.00 72.50 70.64 3dk5 s THR 414 CO -0.07 0.48 0.92 -0.83 -0.54 0.00 0.00 174.62 174.57 3dk5 s GLY 415 N -1.34 1.75 0.84 3.99 0.00 -0.47 -2.53 107.32 109.57 3dk5 s GLY 415 Ca 0.18 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.63 3dk5 s GLY 415 CO 0.08 -0.78 0.88 1.44 0.00 0.00 0.00 173.10 174.72 3dk5 n SER 416 N -2.68 -0.24 -3.71 1.64 7.64 -1.26 -3.56 113.62 111.45 3dk5 n SER 416 Ca 0.08 0.50 -0.28 0.00 1.01 0.00 0.00 58.87 60.19 3dk5 n SER 416 Cb 0.60 -1.38 0.02 0.00 -1.01 0.00 0.00 64.21 62.45 3dk5 n SER 416 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3dk5 n ASP 417 N -2.38 -4.83 -4.74 6.43 2.03 -0.20 -0.31 116.55 112.54 3dk5 n ASP 417 Ca 0.11 -0.65 -0.36 0.00 0.52 0.00 0.00 54.79 54.41 3dk5 n ASP 417 Cb 0.51 -3.88 -0.07 0.00 -0.72 0.00 0.00 41.12 36.97 3dk5 n ASP 417 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3dk5 s THR 418 N -3.22 5.32 -0.19 5.18 2.01 -1.23 -3.11 115.64 120.41 3dk5 s THR 418 Ca 0.58 0.48 -0.06 0.00 0.31 0.00 0.00 61.69 63.01 3dk5 s THR 418 Cb -0.29 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3dk5 s THR 418 CO 0.72 0.42 0.02 -0.04 -0.69 0.00 0.00 174.62 175.04 3dk5 s MET 419 N 0.28 3.75 -0.52 4.92 -1.94 -0.72 -2.46 119.30 122.61 3dk5 s MET 419 Ca 0.15 -0.46 -0.07 0.00 -1.71 0.00 0.00 55.69 53.60 3dk5 s MET 419 Cb -0.13 -3.11 0.13 0.00 2.01 0.00 0.00 34.83 33.74 3dk5 s MET 419 CO 0.03 0.13 0.38 -0.06 -0.01 0.00 0.00 175.02 175.49 3dk5 s PHE 420 N 0.71 3.48 -0.66 -0.03 0.08 0.41 -1.24 117.98 120.72 3dk5 s PHE 420 Ca 0.01 -2.13 -0.27 0.00 0.12 0.00 0.00 56.93 54.65 3dk5 s PHE 420 Cb -0.14 -3.43 0.02 0.00 -0.57 0.00 0.00 43.02 38.90 3dk5 s PHE 420 CO 0.02 -0.96 1.39 0.08 -0.10 0.00 0.00 175.22 175.65 3dk5 s VAL 421 N 0.95 3.71 0.57 -0.44 1.01 -0.84 -1.05 120.40 124.31 3dk5 s VAL 421 Ca 0.09 0.49 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 3dk5 s VAL 421 Cb -0.23 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 3dk5 s VAL 421 CO -0.03 -1.50 1.32 0.00 0.00 0.00 0.00 175.10 174.89 3dk5 s ALA 422 N 6.26 2.69 0.16 5.51 0.00 0.24 -4.44 121.76 132.18 3dk5 s ALA 422 Ca 0.45 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 3dk5 s ALA 422 Cb -0.09 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 3dk5 s ALA 422 CO 0.19 -1.37 0.42 -1.25 0.00 0.00 0.00 175.76 173.75 3dk5 s PRO 423 N -3.06 3.67 -0.08 0.00 0.04 -1.26 -4.84 135.00 129.47 3dk5 s PRO 423 Ca 0.75 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.55 3dk5 s PRO 423 Cb -0.38 -2.81 0.06 0.00 0.04 0.00 0.00 34.50 31.41 3dk5 s PRO 423 CO 0.43 0.44 0.57 0.54 0.04 0.00 0.00 177.00 179.02 3dk5 s VAL 424 N -1.68 0.01 -0.13 -0.36 0.11 -1.26 -4.89 120.40 112.20 3dk5 s VAL 424 Ca 0.42 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.37 3dk5 s VAL 424 Cb -0.12 -0.87 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3dk5 s VAL 424 CO 0.23 -0.06 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.87 3dk5 s THR 425 N -0.89 2.50 -0.22 5.04 2.01 -1.26 -0.73 115.64 122.09 3dk5 s THR 425 Ca -0.09 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 3dk5 s THR 425 Cb -0.02 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.47 3dk5 s THR 425 CO 0.07 0.54 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.82 3dk5 s ILE 426 N 0.56 2.99 0.73 1.82 -1.09 -0.23 -0.81 121.20 125.18 3dk5 s ILE 426 Ca -0.11 -0.68 -0.11 0.00 -2.23 0.00 0.00 60.65 57.52 3dk5 s ILE 426 Cb -0.16 -2.37 0.03 0.00 -1.58 0.00 0.00 42.46 38.38 3dk5 s ILE 426 CO 0.04 0.42 1.09 -0.83 -1.23 0.00 0.00 174.94 174.43 3dk5 s GLY 427 N 1.41 1.63 0.40 6.18 0.00 0.81 0.01 107.32 117.76 3dk5 s GLY 427 Ca 0.05 -0.28 -0.26 0.00 0.00 0.00 0.00 44.72 44.23 3dk5 s GLY 427 CO -0.06 0.11 1.22 1.22 0.00 0.00 0.00 173.10 175.59 3dk5 n ASP 428 N -3.15 2.31 0.00 1.64 9.92 -1.26 -2.19 116.55 123.82 3dk5 n ASP 428 Ca 0.07 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 3dk5 n ASP 428 Cb 0.57 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 3dk5 n ASP 428 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dk5 n GLY 429 N 0.89 0.09 3.75 0.44 0.00 0.11 -2.03 105.19 108.43 3dk5 n GLY 429 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3dk5 n GLY 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk5 s ALA 430 N -1.20 2.19 0.36 4.61 0.00 -0.93 -3.90 121.76 122.89 3dk5 s ALA 430 Ca 0.00 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.57 3dk5 s ALA 430 Cb 0.00 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3dk5 s ALA 430 CO 0.00 -1.75 0.00 0.71 0.00 0.00 0.00 175.76 174.72 3dk5 s TYR 431 N -2.46 2.27 0.00 0.00 4.12 -0.01 -1.74 117.35 119.54 3dk5 s TYR 431 Ca 0.67 -0.73 0.01 0.00 0.02 0.00 0.00 57.07 57.04 3dk5 s TYR 431 Cb -0.22 -1.50 -0.00 0.00 -1.52 0.00 0.00 41.96 38.72 3dk5 s TYR 431 CO 0.49 0.32 -0.03 0.99 0.02 0.00 0.00 175.55 177.34 3dk5 s THR 432 N -2.90 0.20 0.71 -0.71 2.01 -0.70 -1.95 115.64 112.30 3dk5 s THR 432 Ca 0.34 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.04 3dk5 s THR 432 Cb 0.08 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.41 3dk5 s THR 432 CO 0.16 0.00 1.07 -0.83 -0.69 0.00 0.00 174.62 174.33 3dk5 s GLY 433 N -0.21 1.70 0.29 4.40 0.00 -0.18 -1.36 107.32 111.96 3dk5 s GLY 433 Ca -0.01 0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 3dk5 s GLY 433 CO -0.00 0.46 1.49 0.00 0.00 0.00 0.00 173.10 175.05 3dk5 s ALA 434 N -2.98 3.65 -0.51 3.20 0.00 -1.26 -3.28 121.76 120.58 3dk5 s ALA 434 Ca 0.59 1.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.99 3dk5 s ALA 434 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3dk5 s ALA 434 CO 0.54 -0.87 0.15 0.41 0.00 0.00 0.00 175.76 175.99 3dk5 n GLY 435 N 1.77 0.25 3.83 0.00 0.00 0.57 -4.70 105.19 106.91 3dk5 n GLY 435 Ca 0.06 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 3dk5 n GLY 435 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dk5 s THR 436 N -2.64 5.26 -0.35 2.61 2.01 -1.18 -3.96 115.64 117.40 3dk5 s THR 436 Ca 0.07 0.55 -0.09 0.00 0.31 0.00 0.00 61.69 62.53 3dk5 s THR 436 Cb -0.03 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.92 3dk5 s THR 436 CO 0.09 0.55 0.16 -0.69 -0.69 0.00 0.00 174.62 174.05 3dk5 s VAL 437 N -0.73 4.38 -0.33 3.82 1.01 -1.26 -1.75 120.40 125.55 3dk5 s VAL 437 Ca 0.19 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 3dk5 s VAL 437 Cb -0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3dk5 s VAL 437 CO 0.08 -0.13 0.53 -0.69 0.00 0.00 0.00 175.10 174.89 3dk5 s VAL 438 N 1.53 5.01 0.00 2.92 1.01 -0.38 -4.88 120.40 125.62 3dk5 s VAL 438 Ca 0.02 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3dk5 s VAL 438 Cb -0.19 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3dk5 s VAL 438 CO 0.05 -0.15 0.00 0.54 0.00 0.00 0.00 175.10 175.54 3dk5 n ARG 439 N 5.74 5.17 -4.20 2.72 1.74 -1.26 -1.99 116.66 124.58 3dk5 n ARG 439 Ca -0.04 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 3dk5 n ARG 439 Cb 0.49 -0.48 -0.11 0.00 -1.02 0.00 0.00 32.46 31.35 3dk5 n ARG 439 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3dk5 s GLU 440 N -0.93 0.91 0.62 5.56 8.01 -1.26 -4.94 118.70 126.66 3dk5 s GLU 440 Ca 0.00 -1.21 -0.19 0.00 0.01 0.00 0.00 54.97 53.59 3dk5 s GLU 440 Cb 0.00 -0.62 -0.03 0.00 -4.31 0.00 0.00 34.13 29.17 3dk5 s GLU 440 CO 0.00 0.10 1.13 -0.25 0.01 0.00 0.00 175.26 176.25 3dk5 n ASP 441 N 0.47 1.46 -3.91 -0.19 9.92 -1.26 -4.82 116.55 118.22 3dk5 n ASP 441 Ca -0.15 0.83 -0.28 0.00 -0.53 0.00 0.00 54.79 54.66 3dk5 n ASP 441 Cb 0.58 -1.47 -0.17 0.00 -0.64 0.00 0.00 41.12 39.42 3dk5 n ASP 441 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3dk5 s VAL 442 N -1.44 1.15 0.79 2.53 1.01 0.01 -4.97 120.40 119.48 3dk5 s VAL 442 Ca 0.78 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 3dk5 s VAL 442 Cb -0.40 -1.25 0.07 0.00 0.00 0.00 0.00 36.38 34.80 3dk5 s VAL 442 CO 0.44 0.23 1.16 -2.84 0.00 0.00 0.00 175.10 174.10 3dk5 s PRO 443 N 1.63 1.88 -0.13 2.72 0.02 -1.26 -0.13 135.00 139.73 3dk5 s PRO 443 Ca 0.02 1.56 -0.38 0.00 0.02 0.00 0.00 61.00 62.22 3dk5 s PRO 443 Cb -0.14 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.40 3dk5 s PRO 443 CO -0.08 -1.99 1.65 -2.30 -0.33 0.00 0.00 177.00 173.95 3dk5 n PRO 444 N -3.29 1.38 -0.97 5.54 -0.02 -1.26 -1.45 135.00 134.91 3dk5 n PRO 444 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3dk5 n PRO 444 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3dk5 n PRO 444 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dk5 n GLY 445 N 3.74 0.58 3.87 -1.23 0.00 -0.86 -4.84 105.19 106.45 3dk5 n GLY 445 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3dk5 n GLY 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk5 s ALA 446 N -2.27 3.50 -0.29 4.61 0.00 -0.53 -4.85 121.76 121.92 3dk5 s ALA 446 Ca 0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 3dk5 s ALA 446 Cb 0.00 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3dk5 s ALA 446 CO 0.00 0.37 0.35 -1.17 0.00 0.00 0.00 175.76 175.31 3dk5 s LEU 447 N -3.09 4.15 -0.22 0.00 2.96 -1.26 -0.83 118.68 120.39 3dk5 s LEU 447 Ca 0.49 0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.33 3dk5 s LEU 447 Cb -0.11 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 3dk5 s LEU 447 CO 0.23 -0.22 0.49 0.00 -1.32 0.00 0.00 176.35 175.53 3dk5 s ALA 448 N 2.03 3.56 0.19 5.97 0.00 -0.82 -4.97 121.76 127.72 3dk5 s ALA 448 Ca 0.13 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.63 3dk5 s ALA 448 Cb -0.16 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 3dk5 s ALA 448 CO 0.11 -0.49 -0.02 0.14 0.00 0.00 0.00 175.76 175.50 3dk5 s VAL 449 N 1.73 0.92 0.00 0.00 -7.23 -1.26 -1.00 120.40 113.55 3dk5 s VAL 449 Ca 0.22 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3dk5 s VAL 449 Cb -0.15 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.62 3dk5 s VAL 449 CO 0.09 -0.46 0.00 -1.54 -0.31 0.00 0.00 175.10 172.89 3dk5 n SER 450 N -0.31 0.00 -4.74 4.85 3.41 -1.26 -4.96 113.62 110.61 3dk5 n SER 450 Ca -0.06 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 3dk5 n SER 450 Cb 0.63 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.59 3dk5 n SER 450 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dk5 n ALA 451 N -0.41 1.75 -1.40 7.33 0.00 -1.25 -5.01 120.51 121.52 3dk5 n ALA 451 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 3dk5 n ALA 451 Cb 0.00 -2.34 0.20 0.00 0.00 0.00 0.00 19.45 17.30 3dk5 n ALA 451 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dk5 s GLY 452 N -0.48 1.63 0.41 0.00 0.00 -1.26 -5.05 107.32 102.58 3dk5 s GLY 452 Ca 0.61 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 44.43 3dk5 s GLY 452 CO 0.58 -0.10 0.70 2.56 0.00 0.00 0.00 173.10 176.84 3dk5 s PRO 453 N -5.45 3.57 -0.01 2.90 0.04 -1.26 -5.02 135.00 129.77 3dk5 s PRO 453 Ca 0.69 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 3dk5 s PRO 453 Cb -0.10 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 3dk5 s PRO 453 CO 0.55 -0.04 1.03 -1.14 0.04 0.00 0.00 177.00 177.43 3dk5 s GLN 454 N -4.37 4.51 -0.07 4.56 0.74 -1.26 -5.05 119.66 118.72 3dk5 s GLN 454 Ca 0.46 1.49 0.05 0.00 0.05 0.00 0.00 55.36 57.40 3dk5 s GLN 454 Cb -0.10 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 3dk5 s GLN 454 CO 0.39 -0.14 -0.22 0.50 -0.55 0.00 0.00 175.29 175.27 3dk5 s ARG 455 N 1.21 2.65 -0.18 1.67 3.52 -1.26 -5.13 118.95 121.43 3dk5 s ARG 455 Ca 0.53 -0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 55.19 3dk5 s ARG 455 Cb -0.22 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 3dk5 s ARG 455 CO 0.27 0.39 0.09 -0.80 -0.81 0.00 0.00 175.30 174.44 3dk5 s ASN 456 N -0.17 5.93 -0.58 -2.12 0.01 -1.26 -5.06 114.94 111.69 3dk5 s ASN 456 Ca -0.03 0.19 -0.13 0.00 -0.71 0.00 0.00 52.86 52.18 3dk5 s ASN 456 Cb -0.14 -2.00 0.15 0.00 0.41 0.00 0.00 41.25 39.67 3dk5 s ASN 456 CO 0.04 0.22 0.50 -0.63 -1.51 0.00 0.00 177.10 175.72 3dk5 s ILE 457 N 0.12 4.92 0.43 0.60 1.01 -1.26 -5.06 121.20 121.96 3dk5 s ILE 457 Ca 0.07 -1.85 -0.26 0.00 0.00 0.00 0.00 60.65 58.61 3dk5 s ILE 457 Cb -0.12 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 3dk5 s ILE 457 CO -0.00 -0.87 1.39 -1.61 0.00 0.00 0.00 174.94 173.84 3dk5 s GLU 458 N 1.17 3.83 -1.51 2.79 2.02 -1.26 -2.60 118.70 123.13 3dk5 s GLU 458 Ca 0.07 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.40 3dk5 s GLU 458 Cb -0.25 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.26 3dk5 s GLU 458 CO -0.01 -0.67 0.00 0.09 0.02 0.00 0.00 175.26 174.69 3dk5 n ASN 459 N -0.02 -3.94 -0.25 -0.19 3.02 -1.26 -4.88 115.26 107.74 3dk5 n ASN 459 Ca 0.04 0.33 0.01 0.00 -0.03 0.00 0.00 54.58 54.94 3dk5 n ASN 459 Cb 0.42 -3.58 0.14 0.00 -0.61 0.00 0.00 39.78 36.15 3dk5 n ASN 459 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3dk5 h TRP 460 N 0.00 0.65 -0.23 3.10 7.01 -1.95 -3.21 115.95 121.33 3dk5 h TRP 460 Ca -0.31 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.62 3dk5 h TRP 460 Cb 1.00 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.87 3dk5 h TRP 460 CO 0.45 0.24 -0.25 0.28 -2.79 0.00 0.00 178.44 176.37 3dk5 h VAL 461 N 0.62 1.32 -0.93 2.65 2.07 -1.90 0.28 116.25 120.36 3dk5 h VAL 461 Ca 0.35 -1.42 0.27 0.00 0.82 0.00 0.00 66.70 66.72 3dk5 h VAL 461 Cb 0.36 1.71 -0.16 0.00 -1.52 0.00 0.00 31.29 31.68 3dk5 h VAL 461 CO -0.26 0.44 0.20 1.56 0.02 0.00 0.00 177.57 179.53 3dk5 h GLN 462 N 0.27 0.11 0.16 1.57 1.08 -1.81 -0.46 115.11 116.03 3dk5 h GLN 462 Ca 0.03 -0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 56.92 3dk5 h GLN 462 Cb 0.81 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.22 3dk5 h GLN 462 CO 0.06 0.07 -1.55 0.00 -0.95 0.00 0.00 178.83 176.46 3dk5 h ARG 463 N 0.11 0.34 -0.00 1.46 3.08 -1.48 -3.35 114.38 114.53 3dk5 h ARG 463 Ca 0.61 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3dk5 h ARG 463 Cb 1.30 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.57 3dk5 h ARG 463 CO -0.76 1.28 -0.55 1.63 -1.07 0.00 0.00 179.97 180.50 3dk5 n LYS 464 N -3.76 0.43 -2.98 0.04 5.02 0.95 -4.61 118.16 113.24 3dk5 n LYS 464 Ca -0.24 -0.30 -0.16 0.00 -2.02 0.00 0.00 58.31 55.59 3dk5 n LYS 464 Cb 0.99 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.51 3dk5 n LYS 464 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dk5 n ARG 465 N -1.03 0.79 -2.35 1.97 5.12 -0.19 -5.04 116.66 115.94 3dk5 n ARG 465 Ca 0.08 -2.57 -0.41 0.00 -1.93 0.00 0.00 57.85 53.02 3dk5 n ARG 465 Cb 0.36 -1.34 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 3dk5 n ARG 465 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3dk5 s PRO 466 N -0.49 3.20 0.00 5.56 0.05 -1.26 -4.23 135.00 137.84 3dk5 s PRO 466 Ca 0.33 0.44 0.00 0.00 0.05 0.00 0.00 61.00 61.82 3dk5 s PRO 466 Cb 0.22 -4.17 0.00 0.00 0.05 0.00 0.00 34.50 30.61 3dk5 s PRO 466 CO -0.15 -2.06 0.00 0.41 0.05 0.00 0.00 177.00 175.25 3dk5 n GLY 467 N 5.34 2.88 0.00 0.56 0.00 -1.26 -5.05 105.19 107.66 3dk5 n GLY 467 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3dk5 n GLY 467 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dk5 n SER 468 N 0.00 0.00 -0.23 1.61 2.88 -1.26 -4.34 113.62 112.29 3dk5 n SER 468 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3dk5 n SER 468 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 3dk5 n SER 468 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3dk5 n PRO 469 N 0.00 -0.05 -2.05 -1.46 -0.02 -1.26 -2.39 135.00 127.76 3dk5 n PRO 469 Ca 0.00 0.98 -0.42 0.00 -2.02 0.00 0.00 63.50 62.04 3dk5 n PRO 469 Cb 0.00 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3dk5 n PRO 469 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dk5 s ALA 470 N -5.38 2.70 0.00 3.55 0.00 -1.26 -2.70 121.76 118.67 3dk5 s ALA 470 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3dk5 s ALA 470 Cb 0.21 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.25 3dk5 s ALA 470 CO 0.52 -2.94 0.00 0.00 0.00 0.00 0.00 175.76 173.34 3dk5 n ALA 471 N 10.76 -2.07 -1.10 0.00 0.00 -1.01 -4.08 120.51 123.01 3dk5 n ALA 471 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3dk5 n ALA 471 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3dk5 n ALA 471 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dk5 n GLN 472 N -0.33 3.80 0.00 0.00 3.00 -1.10 -4.40 117.38 118.35 3dk5 n GLN 472 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3dk5 n GLN 472 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3dk5 n GLN 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dk5 n ALA 473 N -3.00 0.00 0.14 -1.58 0.00 -1.26 -4.95 120.51 109.86 3dk5 n ALA 473 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3dk5 n ALA 473 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 3dk5 n ALA 473 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93