#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkw s MET 2 N 0.00 4.57 0.24 4.33 1.00 -1.26 -1.15 119.30 127.03 3hkw s MET 2 Ca 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 55.69 56.91 3hkw s MET 2 Cb 0.00 -2.91 0.26 0.00 0.00 0.00 0.00 34.83 32.19 3hkw s MET 2 CO 0.00 0.35 1.79 0.66 0.00 0.00 0.00 175.02 177.82 3hkw h SER 3 N 3.42 0.95 -5.01 3.03 4.64 -1.43 -3.40 113.55 115.75 3hkw h SER 3 Ca -0.47 -0.17 -0.16 0.00 -0.47 0.00 0.00 61.79 60.53 3hkw h SER 3 Cb 1.19 -0.25 -0.20 0.00 -0.31 0.00 0.00 62.40 62.83 3hkw h SER 3 CO 0.65 0.89 -0.64 -0.31 -0.87 0.00 0.00 176.83 176.55 3hkw s TYR 4 N -5.35 0.23 0.15 4.77 2.02 -1.26 -0.62 117.35 117.29 3hkw s TYR 4 Ca -0.11 -0.48 0.10 0.00 -0.37 0.00 0.00 57.07 56.21 3hkw s TYR 4 Cb 0.15 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.50 3hkw s TYR 4 CO 0.82 -0.24 -0.21 -1.54 -1.57 0.00 0.00 175.55 172.81 3hkw s SER 5 N -1.59 3.63 0.06 2.29 1.04 -0.45 -4.82 113.70 113.87 3hkw s SER 5 Ca -0.13 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.65 3hkw s SER 5 Cb -0.08 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 3hkw s SER 5 CO -0.01 0.16 -0.15 0.26 0.98 0.00 0.00 173.24 174.47 3hkw s TRP 6 N -1.31 1.32 -0.28 5.02 0.52 -1.26 -0.77 118.94 122.18 3hkw s TRP 6 Ca 0.18 -0.40 0.23 0.00 0.02 0.00 0.00 56.10 56.13 3hkw s TRP 6 Cb -0.10 -0.76 0.07 0.00 -1.15 0.00 0.00 33.47 31.53 3hkw s TRP 6 CO 0.09 0.06 1.15 1.79 0.02 0.00 0.00 176.95 180.07 3hkw h THR 7 N 4.38 0.00 0.00 2.01 1.35 -1.62 -3.47 112.91 115.55 3hkw h THR 7 Ca -0.40 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3hkw h THR 7 Cb 1.18 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3hkw h THR 7 CO 0.42 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 3hkw n GLY 8 N 1.17 2.53 3.75 5.82 0.00 -1.26 -5.07 105.19 112.12 3hkw n GLY 8 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3hkw n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw s ALA 9 N -2.51 2.66 0.43 4.61 0.00 -1.26 -5.00 121.76 120.68 3hkw s ALA 9 Ca 0.00 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 3hkw s ALA 9 Cb 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 3hkw s ALA 9 CO 0.00 -1.23 0.80 -0.51 0.00 0.00 0.00 175.76 174.81 3hkw s LEU 10 N -3.81 3.78 -0.29 0.00 1.02 -1.26 -4.87 118.68 113.25 3hkw s LEU 10 Ca 0.75 1.16 -0.29 0.00 0.02 0.00 0.00 54.13 55.77 3hkw s LEU 10 Cb -0.34 -4.06 0.01 0.00 0.02 0.00 0.00 46.19 41.81 3hkw s LEU 10 CO 0.39 -0.44 1.16 -0.69 0.02 0.00 0.00 176.35 176.78 3hkw s VAL 11 N -2.44 4.40 0.12 -1.59 1.01 -1.26 -4.81 120.40 115.83 3hkw s VAL 11 Ca 0.52 1.62 0.05 0.00 0.00 0.00 0.00 61.98 64.17 3hkw s VAL 11 Cb -0.10 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3hkw s VAL 11 CO 0.33 -0.41 0.03 0.42 0.00 0.00 0.00 175.10 175.47 3hkw s THR 12 N 3.78 4.06 0.62 3.92 -4.23 -1.26 -4.86 115.64 117.67 3hkw s THR 12 Ca 0.49 -1.09 -0.13 0.00 -1.18 0.00 0.00 61.69 59.78 3hkw s THR 12 Cb -0.15 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 3hkw s THR 12 CO 0.16 0.03 1.04 -2.16 -0.54 0.00 0.00 174.62 173.15 3hkw s PRO 13 N -2.60 3.32 0.00 3.99 0.04 -1.26 -4.37 135.00 134.12 3hkw s PRO 13 Ca 0.27 1.01 0.09 0.00 0.04 0.00 0.00 61.00 62.42 3hkw s PRO 13 Cb -0.11 -2.04 0.10 0.00 0.04 0.00 0.00 34.50 32.49 3hkw s PRO 13 CO 0.19 -0.80 0.86 0.00 0.04 0.00 0.00 177.00 177.30 3hkw s ALA 15 N -0.82 -1.26 0.26 0.00 0.00 -1.26 -5.14 121.76 113.54 3hkw s ALA 15 Ca 0.12 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.41 3hkw s ALA 15 Cb 0.08 0.72 -0.13 0.00 0.00 0.00 0.00 23.12 23.80 3hkw s ALA 15 CO 0.12 -1.03 1.47 0.00 0.00 0.00 0.00 175.76 176.32 3hkw n ALA 16 N -0.55 1.59 -3.94 0.00 0.00 -1.26 -4.99 120.51 111.37 3hkw n ALA 16 Ca -0.06 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 3hkw n ALA 16 Cb 0.60 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.56 3hkw n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hkw s GLU 17 N -0.45 2.71 -0.08 0.00 2.02 -1.26 -5.11 118.70 116.53 3hkw s GLU 17 Ca 0.67 -1.04 -0.19 0.00 0.02 0.00 0.00 54.97 54.43 3hkw s GLU 17 Cb -0.60 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 3hkw s GLU 17 CO 0.49 -0.39 0.52 -1.21 0.02 0.00 0.00 175.26 174.69 3hkw s GLU 18 N 1.25 4.31 -0.02 1.61 0.41 -1.26 -4.97 118.70 120.02 3hkw s GLU 18 Ca -0.01 0.55 0.14 0.00 -0.41 0.00 0.00 54.97 55.24 3hkw s GLU 18 Cb -0.17 -3.40 -0.21 0.00 -1.78 0.00 0.00 34.13 28.58 3hkw s GLU 18 CO -0.07 0.23 0.67 1.04 -0.49 0.00 0.00 175.26 176.64 3hkw n GLN 19 N 3.35 0.63 -4.43 1.61 6.02 -1.26 -4.52 117.38 118.77 3hkw n GLN 19 Ca -0.07 0.25 -0.21 0.00 -0.01 0.00 0.00 57.00 56.96 3hkw n GLN 19 Cb 0.51 -1.78 -0.10 0.00 1.02 0.00 0.00 30.24 29.89 3hkw n GLN 19 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hkw s LYS 20 N -2.69 1.64 0.74 -1.09 1.02 -1.26 -1.00 119.74 117.10 3hkw s LYS 20 Ca -0.05 -1.92 -0.14 0.00 0.02 0.00 0.00 55.97 53.89 3hkw s LYS 20 Cb 0.08 -0.74 0.04 0.00 -0.52 0.00 0.00 37.83 36.69 3hkw s LYS 20 CO 0.82 -0.24 1.15 -0.51 -0.92 0.00 0.00 175.35 175.65 3hkw s LEU 21 N -3.47 3.23 0.57 3.17 1.43 -1.26 -4.96 118.68 117.39 3hkw s LEU 21 Ca 0.35 2.12 -0.20 0.00 -1.03 0.00 0.00 54.13 55.37 3hkw s LEU 21 Cb 0.08 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 3hkw s LEU 21 CO 0.15 -2.13 1.29 -2.84 0.23 0.00 0.00 176.35 173.05 3hkw s PRO 22 N -4.25 3.02 0.32 1.29 0.02 -1.26 -4.91 135.00 129.23 3hkw s PRO 22 Ca 0.68 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.76 3hkw s PRO 22 Cb -0.23 -2.09 0.53 0.00 0.02 0.00 0.00 34.50 32.73 3hkw s PRO 22 CO 0.48 -1.23 1.93 0.82 -0.33 0.00 0.00 177.00 178.66 3hkw h ILE 23 N 1.14 1.19 0.00 2.83 2.04 -2.01 -2.06 117.51 120.64 3hkw h ILE 23 Ca -0.51 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 64.81 3hkw h ILE 23 Cb 1.30 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3hkw h ILE 23 CO 0.56 0.23 0.00 -0.46 0.00 0.00 0.00 178.15 178.48 3hkw n ASN 24 N -4.36 0.36 -4.43 1.72 6.94 -1.26 -4.45 115.26 109.78 3hkw n ASN 24 Ca 0.05 0.57 -0.38 0.00 -0.02 0.00 0.00 54.58 54.80 3hkw n ASN 24 Cb 0.13 -0.65 -0.03 0.00 -2.36 0.00 0.00 39.78 36.87 3hkw n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hkw n ALA 25 N -1.64 3.13 1.13 -2.53 0.00 -0.78 -4.70 120.51 115.13 3hkw n ALA 25 Ca 0.04 -3.53 0.12 0.00 0.00 0.00 0.00 53.44 50.07 3hkw n ALA 25 Cb 0.27 -3.56 0.19 0.00 0.00 0.00 0.00 19.45 16.35 3hkw n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkw n LEU 26 N 10.17 1.80 -4.74 0.00 4.77 -1.26 -4.89 117.00 122.85 3hkw n LEU 26 Ca 0.48 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 3hkw n LEU 26 Cb 0.45 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3hkw n LEU 26 CO 0.77 0.32 0.86 -0.55 -1.33 0.00 0.00 177.39 177.46 3hkw s SER 27 N -2.36 7.13 -0.32 -1.43 0.15 -1.26 -4.94 113.70 110.68 3hkw s SER 27 Ca 0.24 2.17 0.09 0.00 0.70 0.00 0.00 55.95 59.15 3hkw s SER 27 Cb 0.19 -2.60 0.59 0.00 -1.71 0.00 0.00 66.02 62.49 3hkw s SER 27 CO 0.49 -0.34 1.63 0.59 1.20 0.00 0.00 173.24 176.81 3hkw n ASN 28 N 2.61 3.45 0.22 5.45 3.02 -1.26 -4.63 115.26 124.12 3hkw n ASN 28 Ca 0.04 -3.51 0.10 0.00 -0.03 0.00 0.00 54.58 51.19 3hkw n ASN 28 Cb 0.45 -0.69 0.44 0.00 -0.61 0.00 0.00 39.78 39.38 3hkw n ASN 28 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3hkw h SER 29 N 1.45 0.00 0.00 6.41 4.64 -1.99 -3.37 113.55 120.70 3hkw h SER 29 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3hkw h SER 29 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3hkw h SER 29 CO 0.59 0.22 -0.64 -0.11 -0.87 0.00 0.00 176.83 176.02 3hkw n LEU 30 N -3.35 1.63 -3.92 5.97 7.94 -1.26 -4.91 117.00 119.10 3hkw n LEU 30 Ca 0.00 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.06 3hkw n LEU 30 Cb 0.44 -0.59 -0.10 0.00 0.53 0.00 0.00 43.42 43.70 3hkw n LEU 30 CO 0.33 -0.44 -0.22 -1.48 -1.11 0.00 0.00 177.39 174.47 3hkw s LEU 31 N -7.56 1.78 -0.05 -1.96 0.05 -1.26 -4.13 118.68 105.55 3hkw s LEU 31 Ca -0.18 -0.44 0.18 0.00 0.05 0.00 0.00 54.13 53.73 3hkw s LEU 31 Cb 0.03 0.57 -0.22 0.00 -2.05 0.00 0.00 46.19 44.52 3hkw s LEU 31 CO 0.27 -0.45 0.49 0.54 -0.55 0.00 0.00 176.35 176.65 3hkw n ARG 32 N 1.04 0.65 -2.01 1.48 1.74 0.67 -4.57 116.66 115.66 3hkw n ARG 32 Ca -0.21 0.07 -0.41 0.00 -0.77 0.00 0.00 57.85 56.54 3hkw n ARG 32 Cb 0.57 -1.66 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3hkw n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hkw n HIS 33 N -2.74 2.78 -0.19 -1.55 8.25 -0.84 -4.72 115.22 116.20 3hkw n HIS 33 Ca -0.17 -2.86 0.05 0.00 -0.26 0.00 0.00 57.72 54.48 3hkw n HIS 33 Cb 0.92 -2.03 0.33 0.00 1.12 0.00 0.00 29.99 30.33 3hkw n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hkw h HIS 34 N 5.20 0.81 0.00 4.41 3.86 -1.86 -1.37 115.15 126.20 3hkw h HIS 34 Ca 0.60 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.83 3hkw h HIS 34 Cb 0.45 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3hkw h HIS 34 CO 1.50 0.44 0.00 -0.91 0.86 0.00 0.00 177.93 179.82 3hkw h ASN 35 N 0.81 0.00 1.54 2.45 -0.26 -1.99 -1.85 115.58 116.28 3hkw h ASN 35 Ca 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 3hkw h ASN 35 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 3hkw h ASN 35 CO -0.10 0.00 0.00 0.24 -1.06 0.00 0.00 177.43 176.51 3hkw h MET 36 N 0.00 0.00 -5.87 0.81 2.86 -1.65 -3.45 114.93 107.63 3hkw h MET 36 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 3hkw h MET 36 Cb 0.28 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.87 3hkw h MET 36 CO 0.00 0.00 -0.04 0.08 1.06 0.00 0.00 176.91 178.01 3hkw s VAL 37 N -3.12 5.12 0.08 -2.22 1.01 -0.70 -1.22 120.40 119.36 3hkw s VAL 37 Ca 0.10 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.15 3hkw s VAL 37 Cb 0.11 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3hkw s VAL 37 CO 0.60 0.29 0.23 -0.72 0.00 0.00 0.00 175.10 175.51 3hkw s TYR 38 N 0.70 0.07 -0.06 5.22 1.13 -0.71 -4.48 117.35 119.21 3hkw s TYR 38 Ca 0.31 -0.42 0.02 0.00 -1.41 0.00 0.00 57.07 55.57 3hkw s TYR 38 Cb -0.16 0.00 -0.03 0.00 -1.10 0.00 0.00 41.96 40.67 3hkw s TYR 38 CO 0.14 -0.55 -0.11 0.45 -2.51 0.00 0.00 175.55 172.97 3hkw s SER 39 N -2.67 4.27 0.62 -0.18 0.15 -0.17 -0.63 113.70 115.09 3hkw s SER 39 Ca 0.02 -0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.37 3hkw s SER 39 Cb 0.03 -1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 63.32 3hkw s SER 39 CO -0.09 0.34 1.15 0.42 1.20 0.00 0.00 173.24 176.26 3hkw s THR 40 N -0.71 2.95 0.25 6.45 -4.23 0.09 -4.64 115.64 115.79 3hkw s THR 40 Ca 0.11 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 3hkw s THR 40 Cb -0.11 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 3hkw s THR 40 CO 0.01 -0.20 0.21 0.42 -0.54 0.00 0.00 174.62 174.53 3hkw s THR 41 N -1.95 0.00 -0.17 3.99 -4.23 -1.26 -4.07 115.64 107.95 3hkw s THR 41 Ca 0.72 -1.95 0.23 0.00 -1.18 0.00 0.00 61.69 59.51 3hkw s THR 41 Cb -0.25 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.33 3hkw s THR 41 CO 0.36 0.00 1.72 0.77 -0.54 0.00 0.00 174.62 176.92 3hkw h SER 42 N 2.42 0.00 -0.01 3.99 4.64 -1.88 -2.69 113.55 120.02 3hkw h SER 42 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3hkw h SER 42 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hkw h SER 42 CO 0.46 0.00 0.01 0.03 -0.87 0.00 0.00 176.83 176.46 3hkw h ARG 43 N 0.00 0.00 -0.51 4.77 3.08 -1.96 -1.98 114.38 117.79 3hkw h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hkw h ARG 43 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hkw h ARG 43 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3hkw n SER 44 N -3.98 3.66 -0.19 7.04 3.41 -1.01 -4.62 113.62 117.93 3hkw n SER 44 Ca -0.03 -2.00 0.02 0.00 -0.26 0.00 0.00 58.87 56.61 3hkw n SER 44 Cb 0.09 -0.33 0.29 0.00 -0.26 0.00 0.00 64.21 64.00 3hkw n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hkw h ALA 45 N 4.47 1.55 -0.92 7.33 0.00 -1.52 -1.61 119.26 128.55 3hkw h ALA 45 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hkw h ALA 45 Cb 1.00 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3hkw h ALA 45 CO 0.00 0.39 0.60 0.00 0.00 0.00 0.00 179.25 180.25 3hkw h GLN 47 N 1.11 0.62 -0.50 0.00 4.20 -1.64 -1.45 115.11 117.44 3hkw h GLN 47 Ca 0.38 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 3hkw h GLN 47 Cb 0.10 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3hkw h GLN 47 CO -0.13 0.43 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.20 3hkw h ARG 48 N 0.62 1.01 -0.82 1.46 9.65 -1.25 -2.74 114.38 122.31 3hkw h ARG 48 Ca 0.17 -0.41 0.05 0.00 -1.10 0.00 0.00 59.98 58.69 3hkw h ARG 48 Cb -0.04 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.44 3hkw h ARG 48 CO -0.03 1.09 0.51 1.96 2.80 0.00 0.00 179.97 186.30 3hkw h GLN 49 N 0.87 0.93 -0.07 0.20 4.20 -0.53 -1.62 115.11 119.09 3hkw h GLN 49 Ca 0.12 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.80 3hkw h GLN 49 Cb 0.75 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 3hkw h GLN 49 CO 0.06 0.62 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.54 3hkw h LYS 50 N 0.96 -0.09 -0.64 1.46 3.64 -1.13 -2.94 116.57 117.83 3hkw h LYS 50 Ca 0.35 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 3hkw h LYS 50 Cb 0.11 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3hkw h LYS 50 CO -0.15 -0.06 0.25 -0.22 -2.27 0.00 0.00 179.45 177.00 3hkw h LYS 51 N -0.09 0.94 -0.01 1.90 3.64 -1.08 -2.75 116.57 119.12 3hkw h LYS 51 Ca 0.05 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3hkw h LYS 51 Cb 0.17 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3hkw h LYS 51 CO -0.13 0.77 -0.04 1.33 -2.27 0.00 0.00 179.45 179.11 3hkw n VAL 52 N -4.31 0.00 -3.59 2.00 0.24 -0.68 -4.74 118.33 107.25 3hkw n VAL 52 Ca 0.06 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.81 3hkw n VAL 52 Cb 0.17 0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 3hkw n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hkw s THR 53 N -2.14 4.77 0.15 3.34 2.01 -1.04 -4.68 115.64 118.05 3hkw s THR 53 Ca 0.37 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.55 3hkw s THR 53 Cb 0.21 -3.55 0.06 0.00 0.01 0.00 0.00 72.50 69.23 3hkw s THR 53 CO 0.39 -0.10 0.83 0.72 -0.69 0.00 0.00 174.62 175.76 3hkw s PHE 54 N 1.62 -0.26 0.28 4.92 -0.71 -1.26 -4.96 117.98 117.61 3hkw s PHE 54 Ca 0.04 -0.03 -0.27 0.00 -1.04 0.00 0.00 56.93 55.63 3hkw s PHE 54 Cb -0.18 0.62 -0.09 0.00 -1.21 0.00 0.00 43.02 42.16 3hkw s PHE 54 CO 0.07 -0.86 0.92 0.34 -1.34 0.00 0.00 175.22 174.35 3hkw s ASP 55 N -2.80 7.42 -0.17 1.98 2.15 -1.26 -1.16 116.67 122.83 3hkw s ASP 55 Ca 0.08 1.83 -0.02 0.00 0.43 0.00 0.00 52.55 54.88 3hkw s ASP 55 Cb -0.02 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.01 3hkw s ASP 55 CO -0.02 0.02 -0.10 -0.13 -0.17 0.00 0.00 175.17 174.78 3hkw s ARG 56 N -1.73 3.37 -0.17 4.34 3.00 -0.30 -4.95 118.95 122.52 3hkw s ARG 56 Ca 0.46 -0.66 -0.03 0.00 0.00 0.00 0.00 55.73 55.50 3hkw s ARG 56 Cb -0.21 -2.78 -0.02 0.00 0.00 0.00 0.00 34.95 31.94 3hkw s ARG 56 CO 0.26 0.03 -0.07 -0.48 0.00 0.00 0.00 175.30 175.05 3hkw s LEU 57 N 0.84 2.96 -0.08 2.53 0.05 -1.26 -3.30 118.68 120.42 3hkw s LEU 57 Ca -0.03 -0.28 0.01 0.00 0.05 0.00 0.00 54.13 53.88 3hkw s LEU 57 Cb -0.15 -1.71 0.02 0.00 -2.05 0.00 0.00 46.19 42.29 3hkw s LEU 57 CO 0.01 0.10 -0.10 -1.58 -0.55 0.00 0.00 176.35 174.23 3hkw s GLN 58 N 0.75 1.56 -0.21 1.48 0.74 -1.26 -3.98 119.66 118.75 3hkw s GLN 58 Ca -0.03 -0.33 -0.00 0.00 0.05 0.00 0.00 55.36 55.05 3hkw s GLN 58 Cb -0.15 -1.41 0.06 0.00 1.10 0.00 0.00 33.01 32.60 3hkw s GLN 58 CO 0.02 -0.08 -0.03 0.08 -0.55 0.00 0.00 175.29 174.72 3hkw s VAL 59 N 1.03 1.20 0.26 1.34 1.01 0.09 -5.02 120.40 120.31 3hkw s VAL 59 Ca -0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 3hkw s VAL 59 Cb -0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3hkw s VAL 59 CO -0.01 -0.07 0.50 -0.76 0.00 0.00 0.00 175.10 174.76 3hkw s LEU 60 N 1.56 4.12 0.00 3.92 1.43 -1.26 -4.21 118.68 124.23 3hkw s LEU 60 Ca -0.03 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3hkw s LEU 60 Cb -0.18 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 3hkw s LEU 60 CO -0.07 -0.14 0.15 -0.90 0.23 0.00 0.00 176.35 175.63 3hkw n ASP 61 N -0.82 0.45 0.09 2.29 5.75 -1.26 -5.04 116.55 118.01 3hkw n ASP 61 Ca -0.03 -2.67 0.01 0.00 -0.01 0.00 0.00 54.79 52.09 3hkw n ASP 61 Cb 0.54 0.99 0.32 0.00 -1.03 0.00 0.00 41.12 41.94 3hkw n ASP 61 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3hkw h SER 62 N 1.38 0.29 -0.40 -1.12 4.64 -1.99 -1.96 113.55 114.39 3hkw h SER 62 Ca -0.22 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3hkw h SER 62 Cb 0.92 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 3hkw h SER 62 CO 0.33 0.50 0.25 0.45 -0.87 0.00 0.00 176.83 177.49 3hkw h HIS 63 N 0.28 0.53 -0.01 4.77 3.86 -1.97 0.15 115.15 122.76 3hkw h HIS 63 Ca 0.05 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3hkw h HIS 63 Cb 0.49 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 3hkw h HIS 63 CO 0.01 0.37 -0.12 -0.92 0.86 0.00 0.00 177.93 178.12 3hkw h TYR 64 N 0.53 -0.31 -0.66 2.45 5.03 -1.79 -1.82 116.97 120.40 3hkw h TYR 64 Ca 0.15 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.42 3hkw h TYR 64 Cb -0.01 0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.38 3hkw h TYR 64 CO -0.04 -0.19 0.22 1.96 -1.32 0.00 0.00 178.16 178.80 3hkw h GLN 65 N -0.20 0.99 -0.31 1.82 1.08 -1.10 0.19 115.11 117.57 3hkw h GLN 65 Ca 0.05 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3hkw h GLN 65 Cb 0.26 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 3hkw h GLN 65 CO -0.13 0.84 0.17 -0.44 -0.95 0.00 0.00 178.83 178.32 3hkw h ASP 66 N 0.96 0.26 -0.48 1.46 3.32 -0.46 -1.27 116.42 120.21 3hkw h ASP 66 Ca 0.22 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3hkw h ASP 66 Cb 0.25 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3hkw h ASP 66 CO -0.01 0.19 0.02 0.58 -1.72 0.00 0.00 179.24 178.31 3hkw h VAL 67 N 0.35 1.26 -0.97 -1.35 2.07 -0.85 -2.50 116.25 114.25 3hkw h VAL 67 Ca 0.13 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.68 3hkw h VAL 67 Cb 0.02 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3hkw h VAL 67 CO -0.07 0.36 0.63 0.25 0.02 0.00 0.00 177.57 178.76 3hkw h LEU 68 N 0.69 1.03 -0.90 2.57 5.85 -0.69 -0.68 115.31 123.19 3hkw h LEU 68 Ca 0.14 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3hkw h LEU 68 Cb 0.47 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3hkw h LEU 68 CO 0.02 0.69 0.01 0.11 -0.34 0.00 0.00 178.44 178.92 3hkw h LYS 69 N 1.19 0.82 -0.17 1.25 1.57 -1.01 0.17 116.57 120.38 3hkw h LYS 69 Ca 0.40 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3hkw h LYS 69 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3hkw h LYS 69 CO -0.14 0.82 0.09 0.93 -0.57 0.00 0.00 179.45 180.58 3hkw h GLU 70 N 0.77 0.19 -0.42 3.15 5.08 -0.86 -1.26 114.58 121.22 3hkw h GLU 70 Ca 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3hkw h GLU 70 Cb 0.45 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3hkw h GLU 70 CO 0.02 0.13 0.21 0.28 -1.00 0.00 0.00 179.01 178.64 3hkw h VAL 71 N 0.20 1.17 -0.75 3.13 2.07 -0.72 -1.17 116.25 120.18 3hkw h VAL 71 Ca 0.07 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 3hkw h VAL 71 Cb 0.00 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3hkw h VAL 71 CO -0.04 0.19 0.23 0.11 0.02 0.00 0.00 177.57 178.08 3hkw h LYS 72 N 0.54 1.16 -0.47 1.57 1.57 -0.86 -0.39 116.57 119.68 3hkw h LYS 72 Ca 0.14 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3hkw h LYS 72 Cb 0.11 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3hkw h LYS 72 CO -0.02 0.98 0.29 0.00 -0.57 0.00 0.00 179.45 180.14 3hkw h ALA 73 N 1.14 0.60 -0.09 3.86 0.00 -0.97 -2.44 119.26 121.35 3hkw h ALA 73 Ca 0.24 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3hkw h ALA 73 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hkw h ALA 73 CO -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 179.25 178.83 3hkw h ALA 74 N 1.19 1.13 0.00 0.00 0.00 -0.79 -2.63 119.26 118.17 3hkw h ALA 74 Ca 0.18 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3hkw h ALA 74 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hkw h ALA 74 CO -0.06 0.58 -0.42 0.00 0.00 0.00 0.00 179.25 179.35 3hkw h ALA 75 N 1.40 1.26 0.00 0.00 0.00 -0.84 -2.92 119.26 118.17 3hkw h ALA 75 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hkw h ALA 75 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hkw h ALA 75 CO 0.06 0.53 0.07 0.66 0.00 0.00 0.00 179.25 180.57 3hkw h SER 76 N 0.00 0.00 -0.05 0.00 4.64 -1.05 -1.12 113.55 115.97 3hkw h SER 76 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hkw h SER 76 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3hkw h SER 76 CO 0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3hkw n LYS 77 N -2.48 2.18 -3.18 4.77 5.02 -1.10 -4.65 118.16 118.73 3hkw n LYS 77 Ca -0.02 -1.72 -0.39 0.00 -2.02 0.00 0.00 58.31 54.17 3hkw n LYS 77 Cb 0.11 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 3hkw n LYS 77 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hkw s VAL 78 N -1.96 5.00 -0.14 -0.18 1.01 -0.42 -4.99 120.40 118.72 3hkw s VAL 78 Ca 0.31 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.54 3hkw s VAL 78 Cb 0.20 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3hkw s VAL 78 CO 0.31 0.35 -0.12 -0.75 0.00 0.00 0.00 175.10 174.89 3hkw s LYS 79 N 0.26 3.40 0.02 2.72 2.20 -1.26 0.14 119.74 127.22 3hkw s LYS 79 Ca 0.32 -0.67 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 3hkw s LYS 79 Cb -0.17 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 3hkw s LYS 79 CO 0.16 0.19 -0.10 0.00 -0.36 0.00 0.00 175.35 175.24 3hkw s ALA 80 N 0.42 0.86 0.14 3.13 0.00 -0.68 -4.96 121.76 120.67 3hkw s ALA 80 Ca -0.09 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.29 3hkw s ALA 80 Cb -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3hkw s ALA 80 CO 0.05 0.15 0.05 -0.80 0.00 0.00 0.00 175.76 175.21 3hkw s ASN 81 N -0.88 5.15 0.57 0.00 0.01 -1.26 -4.37 114.94 114.16 3hkw s ASN 81 Ca -0.00 -0.22 -0.19 0.00 -0.71 0.00 0.00 52.86 51.73 3hkw s ASN 81 Cb -0.07 -1.24 -0.05 0.00 0.41 0.00 0.00 41.25 40.31 3hkw s ASN 81 CO 0.00 0.11 1.18 -0.76 -1.51 0.00 0.00 177.10 176.13 3hkw s LEU 82 N -2.82 3.72 0.25 0.60 1.43 -1.26 -4.49 118.68 116.10 3hkw s LEU 82 Ca 0.28 2.33 -0.07 0.00 -1.03 0.00 0.00 54.13 55.64 3hkw s LEU 82 Cb -0.10 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.49 3hkw s LEU 82 CO 0.20 -1.43 0.54 -0.76 0.23 0.00 0.00 176.35 175.13 3hkw s LEU 83 N -3.91 4.13 0.67 1.79 1.02 -0.20 -5.05 118.68 117.13 3hkw s LEU 83 Ca 0.75 0.82 -0.11 0.00 0.02 0.00 0.00 54.13 55.61 3hkw s LEU 83 Cb -0.28 -3.60 -0.01 0.00 0.02 0.00 0.00 46.19 42.32 3hkw s LEU 83 CO 0.31 -0.11 1.05 -0.94 0.02 0.00 0.00 176.35 176.68 3hkw s SER 84 N -2.68 5.64 0.22 2.29 1.04 -1.26 -4.70 113.70 114.25 3hkw s SER 84 Ca 0.46 1.57 -0.09 0.00 0.48 0.00 0.00 55.95 58.36 3hkw s SER 84 Cb -0.11 -2.49 0.33 0.00 0.10 0.00 0.00 66.02 63.85 3hkw s SER 84 CO 0.25 -1.26 1.70 0.58 0.98 0.00 0.00 173.24 175.48 3hkw h VAL 85 N -0.56 0.61 -0.24 5.02 2.07 -1.99 0.22 116.25 121.38 3hkw h VAL 85 Ca -0.44 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3hkw h VAL 85 Cb 1.20 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3hkw h VAL 85 CO 0.58 0.05 0.13 -0.08 0.02 0.00 0.00 177.57 178.27 3hkw h GLU 86 N 0.26 0.27 -0.42 1.57 4.81 -1.99 0.13 114.58 119.21 3hkw h GLU 86 Ca 0.34 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3hkw h GLU 86 Cb 0.52 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3hkw h GLU 86 CO -0.43 0.18 0.23 0.93 -0.73 0.00 0.00 179.01 179.19 3hkw h GLU 87 N 0.28 0.58 -0.53 1.92 5.08 -1.77 -2.13 114.58 118.01 3hkw h GLU 87 Ca 0.10 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hkw h GLU 87 Cb 0.01 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3hkw h GLU 87 CO -0.05 0.46 0.24 0.00 -1.00 0.00 0.00 179.01 178.65 3hkw h ALA 88 N 1.09 0.69 -0.82 3.43 0.00 -0.65 -2.53 119.26 120.47 3hkw h ALA 88 Ca 0.15 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3hkw h ALA 88 Cb 0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 3hkw h ALA 88 CO -0.02 0.27 0.44 0.00 0.00 0.00 0.00 179.25 179.93 3hkw h SER 90 N 0.68 0.00 0.04 0.00 4.64 -0.95 -1.97 113.55 115.99 3hkw h SER 90 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3hkw h SER 90 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3hkw h SER 90 CO -0.30 0.02 -0.03 0.18 -0.87 0.00 0.00 176.83 175.82 3hkw n LEU 91 N -3.14 1.13 -4.70 5.97 4.77 -0.81 -4.85 117.00 115.38 3hkw n LEU 91 Ca -0.01 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.20 3hkw n LEU 91 Cb 0.24 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3hkw n LEU 91 CO 0.26 0.19 0.64 -0.89 -1.33 0.00 0.00 177.39 176.25 3hkw s THR 92 N -2.08 4.89 0.61 -5.08 2.01 -0.74 0.14 115.64 115.39 3hkw s THR 92 Ca 0.38 1.84 -0.18 0.00 0.31 0.00 0.00 61.69 64.04 3hkw s THR 92 Cb 0.21 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3hkw s THR 92 CO 0.37 0.11 1.16 -2.84 -0.69 0.00 0.00 174.62 172.73 3hkw s PRO 93 N 1.45 2.95 0.47 4.92 0.02 -1.26 -4.73 135.00 138.82 3hkw s PRO 93 Ca 0.45 1.67 0.21 0.00 0.02 0.00 0.00 61.00 63.34 3hkw s PRO 93 Cb -0.19 -1.94 1.18 0.00 0.02 0.00 0.00 34.50 33.57 3hkw s PRO 93 CO 0.20 -1.19 2.01 -1.35 -0.33 0.00 0.00 177.00 176.34 3hkw h PRO 94 N 0.66 0.00 -0.40 5.54 0.11 -1.96 -2.43 132.00 133.52 3hkw h PRO 94 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3hkw h PRO 94 Cb 1.28 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 3hkw h PRO 94 CO 0.55 0.18 0.05 0.72 -0.21 0.00 0.00 178.00 179.28 3hkw n HIS 95 N -3.95 1.36 -1.70 0.65 8.25 -1.26 -4.33 115.22 114.23 3hkw n HIS 95 Ca -0.02 -1.13 -0.41 0.00 -0.26 0.00 0.00 57.72 55.91 3hkw n HIS 95 Cb 0.26 -0.45 0.02 0.00 1.12 0.00 0.00 29.99 30.94 3hkw n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hkw n SER 96 N -0.56 2.47 -4.68 0.41 2.88 -0.92 -4.87 113.62 108.35 3hkw n SER 96 Ca 0.29 1.08 -0.46 0.00 -1.33 0.00 0.00 58.87 58.45 3hkw n SER 96 Cb 1.05 -1.50 -0.04 0.00 -0.75 0.00 0.00 64.21 62.97 3hkw n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkw n ALA 97 N -0.35 1.40 -1.67 -1.46 0.00 -1.26 -4.27 120.51 112.89 3hkw n ALA 97 Ca 0.07 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 3hkw n ALA 97 Cb 0.40 -2.42 0.05 0.00 0.00 0.00 0.00 19.45 17.49 3hkw n ALA 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hkw n ARG 98 N 4.44 1.16 -1.97 0.00 0.63 -1.26 -4.53 116.66 115.13 3hkw n ARG 98 Ca 0.18 0.44 -0.33 0.00 -0.92 0.00 0.00 57.85 57.22 3hkw n ARG 98 Cb 0.30 -2.35 0.02 0.00 0.45 0.00 0.00 32.46 30.88 3hkw n ARG 98 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3hkw s SER 99 N -1.18 5.51 0.30 6.15 0.15 0.01 -4.70 113.70 119.95 3hkw s SER 99 Ca 0.76 1.94 0.26 0.00 0.70 0.00 0.00 55.95 59.61 3hkw s SER 99 Cb -0.41 -2.55 0.93 0.00 -1.71 0.00 0.00 66.02 62.28 3hkw s SER 99 CO 0.46 -1.35 1.76 0.11 1.20 0.00 0.00 173.24 175.42 3hkw h LYS 100 N 0.40 0.00 -0.90 5.44 1.57 -1.93 -3.32 116.57 117.83 3hkw h LYS 100 Ca -0.47 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.85 3hkw h LYS 100 Cb 1.24 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.27 3hkw h LYS 100 CO 0.56 0.00 0.54 1.19 -0.57 0.00 0.00 179.45 181.17 3hkw n PHE 101 N -2.43 2.80 -0.72 -1.35 3.72 -1.26 -4.92 117.46 113.30 3hkw n PHE 101 Ca 0.03 -1.77 0.00 0.00 -0.05 0.00 0.00 57.45 55.66 3hkw n PHE 101 Cb 0.32 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 3hkw n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hkw n GLY 102 N -1.07 0.77 3.26 1.37 0.00 -1.25 -5.02 105.19 103.25 3hkw n GLY 102 Ca 0.55 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3hkw n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hkw s TYR 103 N -2.00 0.08 0.00 1.61 1.13 -1.26 -4.99 117.35 111.93 3hkw s TYR 103 Ca 0.00 -0.47 0.00 0.00 -1.41 0.00 0.00 57.07 55.19 3hkw s TYR 103 Cb 0.00 0.04 -0.00 0.00 -1.10 0.00 0.00 41.96 40.90 3hkw s TYR 103 CO 0.00 -0.62 0.00 0.41 -2.51 0.00 0.00 175.55 172.83 3hkw n GLY 104 N -0.13 4.16 0.33 5.49 0.00 -1.26 -0.81 105.19 112.98 3hkw n GLY 104 Ca -0.14 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.75 3hkw n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw h ALA 105 N 1.00 1.10 -0.59 4.61 0.00 -1.83 -1.83 119.26 121.72 3hkw h ALA 105 Ca -0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3hkw h ALA 105 Cb 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 3hkw h ALA 105 CO 0.00 0.64 0.31 -0.22 0.00 0.00 0.00 179.25 179.98 3hkw h LYS 106 N 1.08 0.56 -0.47 0.00 3.64 -1.90 0.19 116.57 119.68 3hkw h LYS 106 Ca 0.25 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3hkw h LYS 106 Cb 0.22 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3hkw h LYS 106 CO -0.02 0.37 0.15 -0.44 -2.27 0.00 0.00 179.45 177.24 3hkw h ASP 107 N 0.58 0.68 0.08 4.20 3.32 -1.87 -1.76 116.42 121.65 3hkw h ASP 107 Ca 0.27 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hkw h ASP 107 Cb 0.18 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hkw h ASP 107 CO -0.18 0.70 -0.04 0.58 -1.72 0.00 0.00 179.24 178.58 3hkw h VAL 108 N 0.62 0.95 -0.28 -1.35 2.07 -0.83 0.20 116.25 117.63 3hkw h VAL 108 Ca 0.15 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3hkw h VAL 108 Cb 0.26 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3hkw h VAL 108 CO -0.01 0.03 0.03 0.03 0.02 0.00 0.00 177.57 177.67 3hkw h ARG 109 N -0.16 0.41 -0.55 1.57 3.08 -0.49 -0.11 114.38 118.14 3hkw h ARG 109 Ca -0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hkw h ARG 109 Cb 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hkw h ARG 109 CO 0.02 0.42 0.00 0.00 -1.07 0.00 0.00 179.97 179.34 3hkw n HIS 111 N 0.83 -2.22 -2.23 0.00 8.25 -0.05 -4.93 115.22 114.87 3hkw n HIS 111 Ca 0.17 0.90 -0.36 0.00 -0.26 0.00 0.00 57.72 58.17 3hkw n HIS 111 Cb 0.52 -4.44 0.00 0.00 1.12 0.00 0.00 29.99 27.19 3hkw n HIS 111 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hkw s ALA 112 N -3.46 2.77 0.21 -1.41 0.00 0.63 -4.84 121.76 115.66 3hkw s ALA 112 Ca 0.30 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 53.06 3hkw s ALA 112 Cb -0.15 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.76 3hkw s ALA 112 CO 0.80 -0.78 1.80 -0.09 0.00 0.00 0.00 175.76 177.49 3hkw h ARG 113 N 1.43 1.18 -0.63 0.00 2.43 -1.91 -0.93 114.38 115.95 3hkw h ARG 113 Ca -0.50 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 58.40 3hkw h ARG 113 Cb 1.26 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3hkw h ARG 113 CO 0.58 0.93 0.10 -0.22 -1.51 0.00 0.00 179.97 179.84 3hkw h LYS 114 N 1.16 1.04 0.21 0.20 3.64 -1.96 -0.22 116.57 120.64 3hkw h LYS 114 Ca 0.27 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hkw h LYS 114 Cb 0.16 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3hkw h LYS 114 CO -0.03 0.96 -0.10 0.00 -2.27 0.00 0.00 179.45 178.01 3hkw h ALA 115 N 1.12 -0.29 -0.89 5.00 0.00 -1.79 -2.52 119.26 119.90 3hkw h ALA 115 Ca 0.19 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hkw h ALA 115 Cb 0.43 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3hkw h ALA 115 CO 0.01 -0.46 0.58 0.28 0.00 0.00 0.00 179.25 179.66 3hkw h VAL 116 N -0.68 1.07 -0.54 0.00 2.07 -1.09 -0.08 116.25 116.99 3hkw h VAL 116 Ca -0.03 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3hkw h VAL 116 Cb 0.48 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3hkw h VAL 116 CO 0.05 0.19 -0.01 0.74 0.02 0.00 0.00 177.57 178.56 3hkw h THR 117 N 1.02 1.26 -0.44 2.57 2.02 -1.04 -0.79 112.91 117.51 3hkw h THR 117 Ca 0.38 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 3hkw h THR 117 Cb 0.19 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3hkw h THR 117 CO -0.14 0.40 -0.04 -0.74 0.37 0.00 0.00 175.52 175.38 3hkw h HIS 118 N 0.84 0.89 -0.33 3.16 6.17 -0.88 -2.56 115.15 122.44 3hkw h HIS 118 Ca 0.15 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 61.07 3hkw h HIS 118 Cb 0.55 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.23 3hkw h HIS 118 CO 0.04 0.88 0.22 0.82 0.71 0.00 0.00 177.93 180.60 3hkw h ILE 119 N 0.65 1.09 -0.95 6.26 2.04 -0.85 -0.11 117.51 125.64 3hkw h ILE 119 Ca 0.12 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.89 3hkw h ILE 119 Cb 0.55 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 3hkw h ILE 119 CO 0.03 0.09 0.59 0.78 0.00 0.00 0.00 178.15 179.64 3hkw h ASN 120 N 0.45 0.91 -0.24 1.72 2.35 -1.11 -0.81 115.58 118.85 3hkw h ASN 120 Ca 0.12 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3hkw h ASN 120 Cb -0.04 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3hkw h ASN 120 CO -0.03 0.53 -0.23 0.77 -1.65 0.00 0.00 177.43 176.83 3hkw h SER 121 N 1.01 0.72 -0.43 5.81 4.64 -0.81 -1.61 113.55 122.88 3hkw h SER 121 Ca 0.44 -0.26 -0.07 0.00 -0.47 0.00 0.00 61.79 61.44 3hkw h SER 121 Cb 0.32 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3hkw h SER 121 CO -0.22 0.93 0.01 0.58 -0.87 0.00 0.00 176.83 177.26 3hkw h VAL 122 N 0.62 1.26 -0.32 0.95 2.07 -0.36 -1.53 116.25 118.95 3hkw h VAL 122 Ca 0.09 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.62 3hkw h VAL 122 Cb 0.72 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3hkw h VAL 122 CO 0.06 0.34 0.15 -0.25 0.02 0.00 0.00 177.57 177.89 3hkw h TRP 123 N 0.59 0.28 -0.56 1.57 2.91 -1.02 -0.96 115.95 118.77 3hkw h TRP 123 Ca 0.12 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.18 3hkw h TRP 123 Cb 0.47 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 3hkw h TRP 123 CO 0.04 0.15 0.35 -0.22 -1.03 0.00 0.00 178.44 177.72 3hkw h LYS 124 N 0.32 0.67 -0.35 2.65 3.64 -1.14 -1.80 116.57 120.57 3hkw h LYS 124 Ca 0.13 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3hkw h LYS 124 Cb 0.05 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3hkw h LYS 124 CO -0.10 0.45 0.03 0.22 -2.27 0.00 0.00 179.45 177.78 3hkw h ASP 125 N 0.69 0.49 -0.69 4.20 1.82 -0.97 -1.66 116.42 120.30 3hkw h ASP 125 Ca 0.22 -0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 3hkw h ASP 125 Cb -0.01 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 39.84 3hkw h ASP 125 CO -0.08 0.54 0.31 -0.07 -1.61 0.00 0.00 179.24 178.33 3hkw h LEU 126 N 0.51 0.94 -0.91 2.28 3.38 -0.45 0.32 115.31 121.38 3hkw h LEU 126 Ca 0.11 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3hkw h LEU 126 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hkw h LEU 126 CO 0.01 0.82 -0.31 -0.07 0.09 0.00 0.00 178.44 178.98 3hkw h LEU 127 N 1.02 0.00 0.00 1.67 3.38 -0.55 -3.32 115.31 117.51 3hkw h LEU 127 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3hkw h LEU 127 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hkw h LEU 127 CO -0.03 0.31 -1.89 -0.62 0.09 0.00 0.00 178.44 176.30 3hkw n GLU 128 N -3.42 0.60 -3.91 1.13 1.02 -0.70 -4.91 120.64 110.45 3hkw n GLU 128 Ca 0.00 -0.17 -0.25 0.00 -0.02 0.00 0.00 57.16 56.73 3hkw n GLU 128 Cb 0.49 -1.46 -0.17 0.00 -0.02 0.00 0.00 31.44 30.28 3hkw n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hkw s ASP 129 N -4.25 1.82 -0.12 1.62 -1.08 0.07 -5.01 116.67 109.73 3hkw s ASP 129 Ca -0.07 -0.20 0.16 0.00 -0.52 0.00 0.00 52.55 51.92 3hkw s ASP 129 Cb 0.12 -0.65 0.29 0.00 -1.46 0.00 0.00 42.92 41.22 3hkw s ASP 129 CO 0.80 -0.14 1.17 -1.54 0.52 0.00 0.00 175.17 175.99 3hkw n SER 130 N 4.89 2.55 0.00 -0.34 3.41 -1.26 -4.49 113.62 118.39 3hkw n SER 130 Ca -0.12 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 3hkw n SER 130 Cb 0.50 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3hkw n SER 130 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hkw n VAL 131 N -1.10 0.00 -2.16 -3.33 0.24 -1.26 -4.54 118.33 106.17 3hkw n VAL 131 Ca 0.14 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 3hkw n VAL 131 Cb 0.62 -0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 32.55 3hkw n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hkw s THR 132 N -1.67 3.76 0.26 3.34 2.01 -1.26 -4.69 115.64 117.38 3hkw s THR 132 Ca 0.00 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.55 3hkw s THR 132 Cb 0.00 -3.79 -0.14 0.00 0.01 0.00 0.00 72.50 68.58 3hkw s THR 132 CO 0.00 -0.34 1.11 -2.65 -0.69 0.00 0.00 174.62 172.05 3hkw n PRO 133 N 7.66 1.43 -3.46 4.92 -0.02 -1.26 -4.75 135.00 139.52 3hkw n PRO 133 Ca 0.18 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 3hkw n PRO 133 Cb 0.46 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 3hkw n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkw s ILE 134 N -0.71 5.10 0.53 4.25 1.01 0.90 -4.95 121.20 127.32 3hkw s ILE 134 Ca 0.63 0.83 -0.21 0.00 0.00 0.00 0.00 60.65 61.91 3hkw s ILE 134 Cb -0.73 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 3hkw s ILE 134 CO 0.57 0.50 1.19 -0.62 0.00 0.00 0.00 174.94 176.58 3hkw s ASP 135 N -0.51 5.66 0.09 3.58 2.15 -1.26 -4.40 116.67 121.98 3hkw s ASP 135 Ca 0.23 2.34 0.05 0.00 0.43 0.00 0.00 52.55 55.61 3hkw s ASP 135 Cb -0.16 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 3hkw s ASP 135 CO 0.12 -1.27 -0.13 0.42 -0.17 0.00 0.00 175.17 174.14 3hkw s THR 136 N -1.60 1.12 -0.05 1.71 -4.23 -1.03 -4.36 115.64 107.19 3hkw s THR 136 Ca 0.71 -1.47 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 3hkw s THR 136 Cb -0.29 -1.23 -0.05 0.00 1.34 0.00 0.00 72.50 72.27 3hkw s THR 136 CO 0.33 -0.35 0.33 -0.89 -0.54 0.00 0.00 174.62 173.51 3hkw s THR 137 N -1.74 5.18 -0.17 3.99 2.01 0.46 -0.58 115.64 124.79 3hkw s THR 137 Ca 0.02 0.66 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 3hkw s THR 137 Cb -0.07 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 3hkw s THR 137 CO 0.02 0.56 -0.03 -0.51 -0.69 0.00 0.00 174.62 173.97 3hkw s ILE 138 N -0.83 3.83 0.06 1.82 2.07 -0.33 -1.44 121.20 126.37 3hkw s ILE 138 Ca 0.21 -0.37 0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3hkw s ILE 138 Cb -0.15 -2.69 -0.03 0.00 0.13 0.00 0.00 42.46 39.72 3hkw s ILE 138 CO 0.10 0.47 -0.10 -0.04 -1.91 0.00 0.00 174.94 173.46 3hkw s MET 139 N 0.62 0.66 -0.11 3.50 -1.94 -0.51 -4.44 119.30 117.07 3hkw s MET 139 Ca -0.02 -0.86 -0.22 0.00 -1.71 0.00 0.00 55.69 52.88 3hkw s MET 139 Cb -0.14 -0.49 -0.03 0.00 2.01 0.00 0.00 34.83 36.17 3hkw s MET 139 CO 0.02 0.10 0.64 0.00 -0.01 0.00 0.00 175.02 175.77 3hkw s ALA 140 N -1.45 3.42 0.31 3.03 0.00 -1.26 -0.66 121.76 125.14 3hkw s ALA 140 Ca -0.06 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 3hkw s ALA 140 Cb -0.09 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 3hkw s ALA 140 CO 0.01 -0.20 1.14 0.15 0.00 0.00 0.00 175.76 176.86 3hkw s LYS 141 N 1.06 4.51 -0.44 0.00 1.02 0.78 -4.73 119.74 121.94 3hkw s LYS 141 Ca 0.33 1.86 -0.14 0.00 0.02 0.00 0.00 55.97 58.04 3hkw s LYS 141 Cb -0.17 -3.09 0.06 0.00 -0.52 0.00 0.00 37.83 34.12 3hkw s LYS 141 CO 0.14 0.08 0.34 -0.80 -0.92 0.00 0.00 175.35 174.19 3hkw s ASN 142 N -0.88 5.99 0.05 2.83 0.02 -1.26 -4.32 114.94 117.37 3hkw s ASN 142 Ca 0.47 -1.28 0.05 0.00 -1.02 0.00 0.00 52.86 51.08 3hkw s ASN 142 Cb -0.33 -2.12 -0.02 0.00 0.02 0.00 0.00 41.25 38.80 3hkw s ASN 142 CO 0.42 -0.57 -0.15 -1.61 0.02 0.00 0.00 177.10 175.21 3hkw s GLU 143 N 1.59 0.96 -0.14 -0.60 2.02 -1.26 -4.89 118.70 116.38 3hkw s GLU 143 Ca 0.04 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.11 3hkw s GLU 143 Cb -0.23 -0.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 3hkw s GLU 143 CO 0.06 0.24 0.14 0.08 0.02 0.00 0.00 175.26 175.80 3hkw s VAL 144 N -0.95 5.47 0.29 2.63 1.01 -1.26 -0.73 120.40 126.86 3hkw s VAL 144 Ca 0.02 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.25 3hkw s VAL 144 Cb -0.08 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3hkw s VAL 144 CO 0.02 0.57 0.26 -0.36 0.00 0.00 0.00 175.10 175.58 3hkw s PHE 145 N -0.62 1.50 -0.09 5.22 0.08 0.20 -4.74 117.98 119.54 3hkw s PHE 145 Ca 0.13 -1.53 -0.00 0.00 0.12 0.00 0.00 56.93 55.65 3hkw s PHE 145 Cb -0.12 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 3hkw s PHE 145 CO 0.02 -0.83 -0.06 0.00 -0.10 0.00 0.00 175.22 174.26 3hkw n VAL 147 N 2.47 2.27 0.00 0.00 0.24 -0.36 -5.01 118.33 117.94 3hkw n VAL 147 Ca -0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3hkw n VAL 147 Cb 0.53 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.18 3hkw n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hkw n GLN 148 N 0.27 0.00 0.00 7.34 1.13 -1.26 -5.07 117.38 119.79 3hkw n GLN 148 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3hkw n GLN 148 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.74 3hkw n GLN 148 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hkw n GLY 152 N 3.50 0.00 7.00 1.08 0.00 -1.26 -5.08 105.19 110.43 3hkw n GLY 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hkw n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 153 N 0.00 1.79 3.26 -0.02 0.00 -1.26 -4.79 105.19 104.16 3hkw n GLY 153 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 3hkw n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkw s ARG 154 N 0.00 1.56 0.32 1.61 0.52 -1.26 -4.80 118.95 116.89 3hkw s ARG 154 Ca 0.00 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 3hkw s ARG 154 Cb 0.00 -1.62 -0.10 0.00 0.52 0.00 0.00 34.95 33.75 3hkw s ARG 154 CO 0.00 0.43 1.24 0.15 0.02 0.00 0.00 175.30 177.14 3hkw s LYS 155 N -0.96 4.43 0.65 3.54 1.02 -1.26 -5.03 119.74 122.13 3hkw s LYS 155 Ca 0.08 2.09 -0.11 0.00 0.02 0.00 0.00 55.97 58.05 3hkw s LYS 155 Cb -0.09 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 3hkw s LYS 155 CO 0.01 -0.07 1.05 -1.25 -0.92 0.00 0.00 175.35 174.16 3hkw s PRO 156 N -1.71 3.32 0.34 -1.68 0.04 -1.26 -4.83 135.00 129.23 3hkw s PRO 156 Ca 0.48 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 61.99 3hkw s PRO 156 Cb -0.37 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.00 3hkw s PRO 156 CO 0.49 -0.78 1.42 0.00 0.04 0.00 0.00 177.00 178.17 3hkw n ALA 157 N -2.89 1.87 -1.67 8.56 0.00 -1.26 -4.96 120.51 120.17 3hkw n ALA 157 Ca 0.06 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.54 3hkw n ALA 157 Cb 0.54 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.66 3hkw n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hkw s ARG 158 N -1.70 3.32 -0.03 0.00 0.52 -1.26 -4.63 118.95 115.15 3hkw s ARG 158 Ca 0.56 1.18 -0.01 0.00 -0.52 0.00 0.00 55.73 56.95 3hkw s ARG 158 Cb -0.53 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 3hkw s ARG 158 CO 0.60 -0.81 0.03 -0.51 0.02 0.00 0.00 175.30 174.64 3hkw s LEU 159 N -4.55 3.70 -0.04 2.53 1.43 -1.26 -0.16 118.68 120.33 3hkw s LEU 159 Ca 0.63 0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.90 3hkw s LEU 159 Cb -0.16 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3hkw s LEU 159 CO 0.38 0.32 -0.23 -0.51 0.23 0.00 0.00 176.35 176.53 3hkw s ILE 160 N -1.05 1.90 -0.14 -0.59 1.10 0.16 -4.88 121.20 117.69 3hkw s ILE 160 Ca 0.18 -1.00 0.00 0.00 -0.51 0.00 0.00 60.65 59.33 3hkw s ILE 160 Cb -0.12 -1.60 0.03 0.00 0.15 0.00 0.00 42.46 40.92 3hkw s ILE 160 CO 0.09 0.53 -0.11 -0.69 -2.11 0.00 0.00 174.94 172.65 3hkw s VAL 161 N -0.28 1.37 -0.02 4.00 1.01 -1.26 -1.42 120.40 123.80 3hkw s VAL 161 Ca 0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 3hkw s VAL 161 Cb -0.12 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3hkw s VAL 161 CO 0.02 0.39 0.21 0.72 0.00 0.00 0.00 175.10 176.44 3hkw s PHE 162 N 1.56 -0.09 0.81 5.22 -0.71 -0.52 -0.85 117.98 123.39 3hkw s PHE 162 Ca 0.04 0.16 -0.10 0.00 -1.04 0.00 0.00 56.93 55.99 3hkw s PHE 162 Cb -0.13 0.03 0.11 0.00 -1.21 0.00 0.00 43.02 41.82 3hkw s PHE 162 CO -0.10 -0.28 1.15 -1.25 -1.34 0.00 0.00 175.22 173.41 3hkw s PRO 163 N -1.01 1.65 0.70 1.99 0.04 -1.26 -0.40 135.00 136.72 3hkw s PRO 163 Ca -0.11 -0.25 -0.15 0.00 0.04 0.00 0.00 61.00 60.52 3hkw s PRO 163 Cb -0.05 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3hkw s PRO 163 CO 0.02 -1.69 1.19 0.34 0.04 0.00 0.00 177.00 176.89 3hkw s ASP 164 N -4.66 4.46 0.29 6.66 2.15 -1.26 -4.73 116.67 119.57 3hkw s ASP 164 Ca 0.65 2.29 0.03 0.00 0.43 0.00 0.00 52.55 55.95 3hkw s ASP 164 Cb -0.08 -2.58 0.71 0.00 -0.30 0.00 0.00 42.92 40.66 3hkw s ASP 164 CO 0.48 -2.08 1.69 0.25 -0.17 0.00 0.00 175.17 175.34 3hkw h LEU 165 N -0.13 0.29 -0.85 -1.34 5.85 -1.84 -0.35 115.31 116.94 3hkw h LEU 165 Ca -0.48 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.43 3hkw h LEU 165 Cb 1.29 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 3hkw h LEU 165 CO 0.51 -0.01 0.55 1.23 -0.34 0.00 0.00 178.44 180.37 3hkw h GLY 166 N 0.38 1.23 1.11 3.75 0.00 -1.95 -1.16 103.07 106.43 3hkw h GLY 166 Ca 0.55 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 3hkw h GLY 166 CO -0.53 0.36 -0.15 -2.08 0.00 0.00 0.00 176.54 174.13 3hkw h VAL 167 N 1.07 1.27 -0.82 4.60 2.07 -1.45 -2.48 116.25 120.50 3hkw h VAL 167 Ca 0.34 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 3hkw h VAL 167 Cb -0.00 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3hkw h VAL 167 CO -0.11 0.46 0.44 0.03 0.02 0.00 0.00 177.57 178.41 3hkw h ARG 168 N 0.90 1.14 -0.50 1.57 3.08 -0.55 0.12 114.38 120.14 3hkw h ARG 168 Ca 0.13 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3hkw h ARG 168 Cb 0.73 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3hkw h ARG 168 CO 0.06 0.83 0.19 0.28 -1.07 0.00 0.00 179.97 180.27 3hkw h VAL 169 N 1.14 1.22 -0.53 2.04 2.07 -1.09 -2.44 116.25 118.66 3hkw h VAL 169 Ca 0.29 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3hkw h VAL 169 Cb 0.03 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hkw h VAL 169 CO -0.05 0.25 0.19 0.00 0.02 0.00 0.00 177.57 177.99 3hkw h GLU 171 N 0.76 0.34 -0.31 0.00 5.08 -0.52 -1.57 114.58 118.36 3hkw h GLU 171 Ca 0.18 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3hkw h GLU 171 Cb 0.19 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3hkw h GLU 171 CO -0.01 0.23 0.07 0.87 -1.00 0.00 0.00 179.01 179.16 3hkw h LYS 172 N 0.35 0.18 -0.34 2.33 1.57 -1.02 0.21 116.57 119.85 3hkw h LYS 172 Ca 0.17 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3hkw h LYS 172 Cb 0.11 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 3hkw h LYS 172 CO -0.14 0.12 0.03 0.52 -0.57 0.00 0.00 179.45 179.40 3hkw h MET 173 N 0.18 0.12 0.01 3.15 2.86 -1.00 -0.98 114.93 119.28 3hkw h MET 173 Ca 0.14 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.55 3hkw h MET 173 Cb 0.15 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3hkw h MET 173 CO -0.18 0.08 -0.95 0.00 1.06 0.00 0.00 176.91 176.92 3hkw h ALA 174 N 1.28 0.38 0.00 6.32 0.00 -1.00 -0.52 119.26 125.71 3hkw h ALA 174 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hkw h ALA 174 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hkw h ALA 174 CO -0.25 0.85 0.00 1.28 0.00 0.00 0.00 179.25 181.12 3hkw n LEU 175 N -3.71 0.17 -0.21 0.00 4.77 0.71 -4.77 117.00 113.97 3hkw n LEU 175 Ca -0.06 -0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 55.54 3hkw n LEU 175 Cb 0.84 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.01 3hkw n LEU 175 CO 0.51 0.04 1.07 0.22 -1.33 0.00 0.00 177.39 177.90 3hkw h TYR 176 N 0.00 0.62 -0.53 -1.77 3.20 -1.25 -0.10 116.97 117.15 3hkw h TYR 176 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3hkw h TYR 176 Cb 0.08 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3hkw h TYR 176 CO 0.00 0.31 -0.05 0.22 -1.64 0.00 0.00 178.16 177.00 3hkw h ASP 177 N 0.64 0.92 0.10 -2.11 3.58 -1.80 -2.12 116.42 115.63 3hkw h ASP 177 Ca 0.26 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3hkw h ASP 177 Cb 0.14 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.94 3hkw h ASP 177 CO -0.16 1.01 -0.05 0.58 -2.88 0.00 0.00 179.24 177.74 3hkw h VAL 178 N 0.85 1.03 0.00 2.25 2.07 -1.68 -2.63 116.25 118.13 3hkw h VAL 178 Ca 0.15 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3hkw h VAL 178 Cb 0.58 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3hkw h VAL 178 CO 0.03 0.12 0.00 -0.37 0.02 0.00 0.00 177.57 177.37 3hkw h VAL 179 N -0.36 0.00 0.00 2.57 -1.51 -0.97 0.25 116.25 116.23 3hkw h VAL 179 Ca -0.01 -0.28 -0.14 0.00 -1.23 0.00 0.00 66.70 65.04 3hkw h VAL 179 Cb 0.30 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.49 3hkw h VAL 179 CO 0.02 0.00 -0.94 0.28 -1.23 0.00 0.00 177.57 175.70 3hkw h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.24 -3.41 113.55 113.10 3hkw h SER 180 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3hkw h SER 180 Cb 0.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3hkw h SER 180 CO 0.00 0.57 -1.55 0.29 -1.14 0.00 0.00 176.83 175.00 3hkw n LYS 181 N -3.09 2.27 -0.09 3.45 5.02 -0.99 -4.68 118.16 120.06 3hkw n LYS 181 Ca -0.03 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 3hkw n LYS 181 Cb 0.80 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 3hkw n LYS 181 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3hkw h LEU 182 N 0.00 0.55 -0.31 -0.35 5.85 -1.19 -2.66 115.31 117.20 3hkw h LEU 182 Ca -0.22 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.17 3hkw h LEU 182 Cb 1.46 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3hkw h LEU 182 CO 0.00 0.80 0.07 -0.65 -0.34 0.00 0.00 178.44 178.32 3hkw h PRO 183 N 0.28 0.17 -0.36 5.25 0.11 -1.82 -0.76 132.00 134.88 3hkw h PRO 183 Ca 0.07 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 3hkw h PRO 183 Cb 0.57 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3hkw h PRO 183 CO 0.03 0.11 -0.04 0.37 -0.21 0.00 0.00 178.00 178.27 3hkw h GLN 184 N 0.18 0.58 -0.85 1.05 -0.00 -1.86 0.15 115.11 114.37 3hkw h GLN 184 Ca 0.14 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 3hkw h GLN 184 Cb 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.51 3hkw h GLN 184 CO -0.18 0.64 0.45 0.00 0.00 0.00 0.00 178.83 179.73 3hkw h ALA 185 N 1.41 1.20 0.15 3.38 0.00 -1.02 0.74 119.26 125.12 3hkw h ALA 185 Ca 0.11 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 3hkw h ALA 185 Cb 0.41 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hkw h ALA 185 CO 0.02 0.64 -1.61 0.28 0.00 0.00 0.00 179.25 178.57 3hkw h VAL 186 N 1.19 1.08 0.00 0.00 2.07 -0.65 -3.40 116.25 116.54 3hkw h VAL 186 Ca 0.30 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3hkw h VAL 186 Cb 0.05 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3hkw h VAL 186 CO -0.05 0.83 -0.56 0.23 0.02 0.00 0.00 177.57 178.04 3hkw n MET 187 N -3.52 3.46 0.00 1.57 2.81 0.49 -4.88 117.12 117.04 3hkw n MET 187 Ca -0.20 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 3hkw n MET 187 Cb 1.06 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 32.59 3hkw n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hkw n GLY 188 N 1.31 3.27 0.18 3.03 0.00 0.25 -1.98 105.19 111.24 3hkw n GLY 188 Ca 0.01 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3hkw n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hkw h SER 189 N 0.00 0.00 0.93 1.61 4.64 -1.96 -1.88 113.55 116.89 3hkw h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hkw h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hkw h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3hkw n SER 190 N -2.43 0.36 -4.63 4.97 7.64 -0.84 -4.70 113.62 114.00 3hkw n SER 190 Ca 0.00 0.56 -0.43 0.00 1.01 0.00 0.00 58.87 60.01 3hkw n SER 190 Cb 0.16 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 62.69 3hkw n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hkw s TYR 191 N -3.10 3.01 0.17 1.43 5.04 -0.71 -1.01 117.35 122.18 3hkw s TYR 191 Ca 0.09 1.02 0.19 0.00 -2.44 0.00 0.00 57.07 55.93 3hkw s TYR 191 Cb 0.13 -3.95 0.71 0.00 0.35 0.00 0.00 41.96 39.20 3hkw s TYR 191 CO 0.45 -1.00 1.75 0.78 -1.34 0.00 0.00 175.55 176.19 3hkw h GLY 192 N 10.52 0.00 1.27 8.97 0.00 -1.40 -3.22 103.07 119.21 3hkw h GLY 192 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3hkw h GLY 192 CO 1.06 0.00 -0.00 0.69 0.00 0.00 0.00 176.54 178.29 3hkw n PHE 193 N -3.53 0.00 1.60 5.60 3.72 -1.26 -2.80 117.46 120.78 3hkw n PHE 193 Ca -0.00 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.55 3hkw n PHE 193 Cb 0.49 -0.15 0.80 0.00 -0.94 0.00 0.00 39.48 39.69 3hkw n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hkw n GLN 194 N -1.13 0.62 -4.52 -1.08 10.64 -1.22 -3.04 117.38 117.66 3hkw n GLN 194 Ca 0.19 -0.02 -0.34 0.00 -1.83 0.00 0.00 57.00 54.99 3hkw n GLN 194 Cb 0.18 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 27.95 3hkw n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3hkw s TYR 195 N -2.39 3.00 1.04 2.61 2.02 -1.12 -4.71 117.35 117.79 3hkw s TYR 195 Ca 0.34 -0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.85 3hkw s TYR 195 Cb 0.21 -1.81 0.21 0.00 -0.40 0.00 0.00 41.96 40.17 3hkw s TYR 195 CO 0.43 0.22 1.08 -1.54 -1.57 0.00 0.00 175.55 174.17 3hkw s SER 196 N -0.41 2.22 0.22 2.29 1.04 -1.26 -4.73 113.70 113.08 3hkw s SER 196 Ca 0.06 1.27 -0.07 0.00 0.48 0.00 0.00 55.95 57.69 3hkw s SER 196 Cb -0.12 -1.96 0.33 0.00 0.10 0.00 0.00 66.02 64.37 3hkw s SER 196 CO 0.02 -3.39 1.77 -0.65 0.98 0.00 0.00 173.24 171.97 3hkw h PRO 197 N -2.07 0.56 -0.55 4.02 0.11 -1.91 0.93 132.00 133.09 3hkw h PRO 197 Ca -0.56 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.48 3hkw h PRO 197 Cb 1.33 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3hkw h PRO 197 CO 0.56 0.37 0.20 0.78 -0.21 0.00 0.00 178.00 179.69 3hkw h GLY 198 N 0.57 0.87 1.75 -0.55 0.00 -1.61 -1.29 103.07 102.81 3hkw h GLY 198 Ca 0.35 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 3hkw h GLY 198 CO -0.28 0.42 -0.70 1.46 0.00 0.00 0.00 176.54 177.45 3hkw h GLN 199 N 0.79 0.25 -0.31 4.80 4.20 -1.59 -2.37 115.11 120.87 3hkw h GLN 199 Ca 0.19 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3hkw h GLN 199 Cb 0.19 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3hkw h GLN 199 CO -0.01 0.85 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.80 3hkw h ARG 200 N 0.17 0.62 -0.66 1.46 2.43 -0.30 0.19 114.38 118.29 3hkw h ARG 200 Ca -0.02 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 3hkw h ARG 200 Cb 1.25 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 3hkw h ARG 200 CO 0.11 0.82 0.14 -0.24 -1.51 0.00 0.00 179.97 179.29 3hkw h VAL 201 N 0.39 1.26 -0.82 0.20 3.04 -1.28 -1.36 116.25 117.68 3hkw h VAL 201 Ca 0.08 -0.98 0.04 0.00 -1.01 0.00 0.00 66.70 64.83 3hkw h VAL 201 Cb 0.61 0.63 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 3hkw h VAL 201 CO 0.04 0.37 0.52 -0.08 -1.01 0.00 0.00 177.57 177.40 3hkw h GLU 202 N 0.99 0.96 -0.02 4.17 4.81 -1.28 -0.26 114.58 123.95 3hkw h GLU 202 Ca 0.20 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3hkw h GLU 202 Cb 0.39 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3hkw h GLU 202 CO 0.01 0.64 0.01 0.35 -0.73 0.00 0.00 179.01 179.29 3hkw h PHE 203 N 0.99 0.03 -0.33 0.92 3.57 -0.35 -0.59 116.94 121.18 3hkw h PHE 203 Ca 0.34 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 3hkw h PHE 203 Cb 0.06 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3hkw h PHE 203 CO -0.03 0.03 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.89 3hkw h LEU 204 N 0.02 0.69 -0.26 0.59 3.38 -0.89 -1.01 115.31 117.83 3hkw h LEU 204 Ca 0.01 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 3hkw h LEU 204 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hkw h LEU 204 CO -0.00 0.92 0.01 0.58 0.09 0.00 0.00 178.44 180.04 3hkw h VAL 205 N 0.45 1.25 -0.54 1.22 2.07 -1.02 -1.17 116.25 118.50 3hkw h VAL 205 Ca 0.08 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.78 3hkw h VAL 205 Cb 0.64 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3hkw h VAL 205 CO 0.04 0.27 0.28 -0.61 0.02 0.00 0.00 177.57 177.58 3hkw h GLN 206 N 0.23 0.53 -0.24 1.57 -0.00 -1.04 -0.53 115.11 115.64 3hkw h GLN 206 Ca 0.07 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.73 3hkw h GLN 206 Cb 0.39 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.72 3hkw h GLN 206 CO 0.01 0.35 0.03 0.00 0.00 0.00 0.00 178.83 179.22 3hkw h ALA 207 N 1.29 0.23 -0.18 3.38 0.00 -1.00 -0.52 119.26 122.45 3hkw h ALA 207 Ca 0.24 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3hkw h ALA 207 Cb 0.14 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hkw h ALA 207 CO -0.16 -0.39 -0.03 2.35 0.00 0.00 0.00 179.25 181.02 3hkw h TRP 208 N 0.12 -0.07 0.00 0.00 2.91 -0.87 -2.47 115.95 115.57 3hkw h TRP 208 Ca 0.11 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3hkw h TRP 208 Cb 0.12 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 3hkw h TRP 208 CO -0.16 -0.06 0.00 0.87 -1.03 0.00 0.00 178.44 178.05 3hkw h LYS 209 N 0.02 0.00 0.00 2.65 1.57 -0.82 -2.87 116.57 117.11 3hkw h LYS 209 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hkw h LYS 209 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3hkw h LYS 209 CO -0.17 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.37 3hkw h SER 210 N 0.00 0.00 -3.32 0.86 4.64 -0.60 -3.45 113.55 111.68 3hkw h SER 210 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3hkw h SER 210 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 3hkw h SER 210 CO 0.00 0.00 -0.11 -0.54 -0.87 0.00 0.00 176.83 175.31 3hkw s LYS 211 N -3.29 3.91 0.06 4.77 -0.14 -1.08 -4.99 119.74 118.97 3hkw s LYS 211 Ca 0.06 0.39 -0.23 0.00 -1.36 0.00 0.00 55.97 54.84 3hkw s LYS 211 Cb 0.08 -2.87 -0.15 0.00 -1.68 0.00 0.00 37.83 33.21 3hkw s LYS 211 CO 0.59 0.45 1.59 0.87 -0.76 0.00 0.00 175.35 178.10 3hkw h LYS 212 N 3.33 0.07 -2.68 1.68 1.57 -1.88 -3.38 116.57 115.28 3hkw h LYS 212 Ca -0.48 -0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 57.70 3hkw h LYS 212 Cb 1.19 -0.01 -0.39 0.00 0.08 0.00 0.00 32.23 33.09 3hkw h LYS 212 CO 0.67 0.21 -0.82 0.45 -0.57 0.00 0.00 179.45 179.39 3hkw s SER 213 N -5.42 3.14 0.40 0.86 0.15 -1.26 -5.08 113.70 106.48 3hkw s SER 213 Ca -0.14 -2.16 -0.25 0.00 0.70 0.00 0.00 55.95 54.10 3hkw s SER 213 Cb 0.05 -0.49 -0.08 0.00 -1.71 0.00 0.00 66.02 63.78 3hkw s SER 213 CO 0.68 -0.32 1.18 -2.16 1.20 0.00 0.00 173.24 173.82 3hkw s PRO 214 N 1.07 4.06 -0.00 5.44 0.04 -1.26 -0.50 135.00 143.85 3hkw s PRO 214 Ca 0.17 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.11 3hkw s PRO 214 Cb -0.23 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 3hkw s PRO 214 CO -0.03 -0.32 -0.10 1.41 0.04 0.00 0.00 177.00 178.00 3hkw s MET 215 N -2.27 0.75 0.06 4.56 1.75 -0.48 -4.72 119.30 118.95 3hkw s MET 215 Ca 0.57 -0.39 -0.00 0.00 -1.25 0.00 0.00 55.69 54.61 3hkw s MET 215 Cb -0.31 -0.72 -0.04 0.00 2.84 0.00 0.00 34.83 36.60 3hkw s MET 215 CO 0.40 0.19 -0.04 0.20 -0.65 0.00 0.00 175.02 175.12 3hkw s GLY 216 N -0.38 0.51 0.13 2.11 0.00 -0.16 -0.36 107.32 109.17 3hkw s GLY 216 Ca 0.03 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.42 3hkw s GLY 216 CO -0.00 -1.26 0.44 -0.11 0.00 0.00 0.00 173.10 172.17 3hkw s PHE 217 N -3.49 -0.27 0.04 1.90 -0.71 -0.10 -0.40 117.98 114.95 3hkw s PHE 217 Ca 0.05 -0.02 0.03 0.00 -1.04 0.00 0.00 56.93 55.95 3hkw s PHE 217 Cb 0.05 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 3hkw s PHE 217 CO -0.08 -0.73 -0.02 -1.54 -1.34 0.00 0.00 175.22 171.52 3hkw s SER 218 N -2.77 4.92 -0.21 1.98 1.04 -1.26 -1.07 113.70 116.33 3hkw s SER 218 Ca 0.02 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.33 3hkw s SER 218 Cb 0.01 -1.20 0.02 0.00 0.10 0.00 0.00 66.02 64.95 3hkw s SER 218 CO -0.12 0.24 -0.13 -0.47 0.98 0.00 0.00 173.24 173.75 3hkw s TYR 219 N -1.14 2.91 -0.50 5.02 6.14 -0.86 -4.58 117.35 124.33 3hkw s TYR 219 Ca 0.21 -1.48 -0.13 0.00 0.64 0.00 0.00 57.07 56.31 3hkw s TYR 219 Cb -0.11 -2.00 0.12 0.00 0.42 0.00 0.00 41.96 40.39 3hkw s TYR 219 CO 0.12 -0.73 0.42 0.34 0.64 0.00 0.00 175.55 176.35 3hkw s ASP 220 N 1.34 5.98 0.13 4.32 2.15 -1.26 -4.15 116.67 125.18 3hkw s ASP 220 Ca 0.03 -1.78 -0.30 0.00 0.43 0.00 0.00 52.55 50.94 3hkw s ASP 220 Cb -0.14 -2.13 -0.07 0.00 -0.30 0.00 0.00 42.92 40.28 3hkw s ASP 220 CO -0.08 -0.77 1.13 -0.89 -0.17 0.00 0.00 175.17 174.39 3hkw s THR 221 N 1.51 3.96 -0.18 1.71 2.01 -1.26 -1.00 115.64 122.38 3hkw s THR 221 Ca 0.04 1.57 -0.29 0.00 0.31 0.00 0.00 61.69 63.31 3hkw s THR 221 Cb -0.28 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 3hkw s THR 221 CO 0.02 0.21 1.39 -0.60 -0.69 0.00 0.00 174.62 174.96 3hkw s ARG 222 N 0.19 4.09 -0.93 4.92 3.52 -0.47 -3.98 118.95 126.28 3hkw s ARG 222 Ca 0.53 1.66 -0.10 0.00 -0.13 0.00 0.00 55.73 57.70 3hkw s ARG 222 Cb -0.29 -3.87 0.01 0.00 -1.56 0.00 0.00 34.95 29.24 3hkw s ARG 222 CO 0.33 -0.91 0.66 0.00 -0.81 0.00 0.00 175.30 174.57 3hkw h PHE 224 N -0.85 0.02 -0.96 0.00 3.04 -1.96 -1.25 116.94 114.97 3hkw h PHE 224 Ca -0.56 0.04 0.12 0.00 3.98 0.00 0.00 57.97 61.55 3hkw h PHE 224 Cb 1.34 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 39.86 3hkw h PHE 224 CO 0.27 -0.14 0.61 -0.44 -2.02 0.00 0.00 178.31 176.59 3hkw h ASP 225 N 0.15 0.85 0.98 0.41 3.32 -1.91 -0.33 116.42 119.88 3hkw h ASP 225 Ca 0.33 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.36 3hkw h ASP 225 Cb 0.53 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3hkw h ASP 225 CO -0.51 0.46 -0.29 0.28 -1.72 0.00 0.00 179.24 177.46 3hkw h SER 226 N 0.92 0.00 1.38 6.45 0.02 -1.54 -2.49 113.55 118.29 3hkw h SER 226 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 3hkw h SER 226 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3hkw h SER 226 CO -0.23 0.29 0.00 0.71 -1.14 0.00 0.00 176.83 176.46 3hkw h THR 227 N 0.00 0.00 -2.83 -2.27 1.35 -0.71 -3.44 112.91 105.00 3hkw h THR 227 Ca -0.00 -0.68 -0.56 0.00 -0.55 0.00 0.00 66.41 64.62 3hkw h THR 227 Cb 0.86 1.67 -0.03 0.00 -1.73 0.00 0.00 68.15 68.91 3hkw h THR 227 CO 0.04 0.00 0.95 -0.69 -0.25 0.00 0.00 175.52 175.57 3hkw s VAL 228 N -3.47 4.10 0.53 6.82 1.01 -1.10 -4.79 120.40 123.50 3hkw s VAL 228 Ca 0.04 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 3hkw s VAL 228 Cb 0.08 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3hkw s VAL 228 CO 0.59 -0.12 0.77 0.42 0.00 0.00 0.00 175.10 176.76 3hkw s THR 229 N 3.66 3.22 0.24 3.92 -4.23 -1.26 -3.88 115.64 117.31 3hkw s THR 229 Ca 0.60 -0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 60.55 3hkw s THR 229 Cb -0.25 -3.22 0.24 0.00 1.34 0.00 0.00 72.50 70.61 3hkw s THR 229 CO 0.19 -0.17 1.90 -0.33 -0.54 0.00 0.00 174.62 175.67 3hkw h GLU 230 N 0.10 1.19 -0.55 3.99 5.08 -1.85 -2.06 114.58 120.49 3hkw h GLU 230 Ca -0.44 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 57.90 3hkw h GLU 230 Cb 1.28 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 3hkw h GLU 230 CO 0.56 0.79 0.28 1.03 -1.00 0.00 0.00 179.01 180.66 3hkw h SER 231 N 1.23 0.39 -0.67 1.42 0.87 -1.95 -0.17 113.55 114.67 3hkw h SER 231 Ca 0.37 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 61.00 3hkw h SER 231 Cb -0.06 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 3hkw h SER 231 CO -0.10 0.26 0.39 0.44 -0.53 0.00 0.00 176.83 177.29 3hkw h ASP 232 N 0.53 0.62 0.03 6.23 3.32 -1.78 0.45 116.42 125.82 3hkw h ASP 232 Ca 0.25 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.12 3hkw h ASP 232 Cb 0.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hkw h ASP 232 CO -0.17 0.42 -0.70 0.40 -1.72 0.00 0.00 179.24 177.46 3hkw h ILE 233 N 0.75 1.32 -0.35 0.35 2.04 -0.80 -1.04 117.51 119.78 3hkw h ILE 233 Ca 0.28 -1.99 -0.09 0.00 1.00 0.00 0.00 64.86 64.06 3hkw h ILE 233 Cb 0.10 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3hkw h ILE 233 CO -0.14 0.62 -0.17 0.03 0.00 0.00 0.00 178.15 178.48 3hkw h ARG 234 N 0.43 0.65 -0.63 2.37 3.08 -0.90 -2.26 114.38 117.12 3hkw h ARG 234 Ca -0.03 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 3hkw h ARG 234 Cb 1.29 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3hkw h ARG 234 CO 0.13 0.79 0.24 1.15 -1.07 0.00 0.00 179.97 181.21 3hkw h THR 235 N 0.58 1.23 -0.59 2.04 2.02 -0.60 -0.88 112.91 116.71 3hkw h THR 235 Ca 0.09 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 3hkw h THR 235 Cb 0.62 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3hkw h THR 235 CO 0.04 0.29 0.20 1.05 0.37 0.00 0.00 175.52 177.47 3hkw h GLU 236 N 0.92 0.88 -0.50 6.66 4.11 -0.89 -1.08 114.58 124.67 3hkw h GLU 236 Ca 0.21 -0.16 -0.12 0.00 0.07 0.00 0.00 59.36 59.37 3hkw h GLU 236 Cb 0.20 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3hkw h GLU 236 CO -0.02 0.75 -0.14 1.49 0.07 0.00 0.00 179.01 181.17 3hkw h GLU 237 N 0.86 0.97 -0.93 1.06 4.22 -0.99 -1.05 114.58 118.71 3hkw h GLU 237 Ca 0.20 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.27 3hkw h GLU 237 Cb 0.23 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3hkw h GLU 237 CO -0.01 1.04 0.59 0.00 -2.18 0.00 0.00 179.01 178.44 3hkw h ALA 238 N 0.97 1.18 -0.23 2.92 0.00 -0.58 -0.97 119.26 122.56 3hkw h ALA 238 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hkw h ALA 238 Cb 0.69 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hkw h ALA 238 CO 0.05 0.61 0.05 0.82 0.00 0.00 0.00 179.25 180.78 3hkw h ILE 239 N 1.27 1.22 -0.85 0.00 2.04 -1.01 -2.86 117.51 117.33 3hkw h ILE 239 Ca 0.34 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 65.59 3hkw h ILE 239 Cb -0.10 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 3hkw h ILE 239 CO -0.07 0.23 0.48 1.88 0.00 0.00 0.00 178.15 180.67 3hkw h TYR 240 N 0.18 0.86 0.00 1.37 0.05 -0.63 -1.54 116.97 117.27 3hkw h TYR 240 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 3hkw h TYR 240 Cb 0.30 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.78 3hkw h TYR 240 CO 0.02 0.32 0.00 1.04 -1.05 0.00 0.00 178.16 178.49 3hkw n GLN 241 N -4.76 0.21 0.26 4.88 1.13 -0.42 -1.72 117.38 116.96 3hkw n GLN 241 Ca 0.15 0.39 0.14 0.00 -1.94 0.00 0.00 57.00 55.74 3hkw n GLN 241 Cb 0.32 -1.87 0.66 0.00 0.11 0.00 0.00 30.24 29.46 3hkw n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hkw s ASP 244 N -2.73 6.29 0.13 0.00 -1.08 0.12 -4.99 116.67 114.41 3hkw s ASP 244 Ca 0.66 0.52 0.07 0.00 -0.52 0.00 0.00 52.55 53.29 3hkw s ASP 244 Cb -0.21 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.67 3hkw s ASP 244 CO 0.47 -1.53 -0.16 -0.76 0.52 0.00 0.00 175.17 173.71 3hkw s LEU 245 N 5.56 2.39 0.38 -1.34 1.43 -1.26 -1.69 118.68 124.15 3hkw s LEU 245 Ca 0.55 -0.80 -0.27 0.00 -1.03 0.00 0.00 54.13 52.59 3hkw s LEU 245 Cb -0.11 -0.68 -0.09 0.00 0.03 0.00 0.00 46.19 45.33 3hkw s LEU 245 CO 0.29 -0.08 1.25 -0.62 0.23 0.00 0.00 176.35 177.42 3hkw s ASP 246 N -2.41 6.54 0.31 2.29 2.15 -1.26 -4.86 116.67 119.43 3hkw s ASP 246 Ca 0.10 2.54 0.06 0.00 0.43 0.00 0.00 52.55 55.68 3hkw s ASP 246 Cb -0.06 -2.63 0.75 0.00 -0.30 0.00 0.00 42.92 40.68 3hkw s ASP 246 CO 0.04 -0.68 1.78 -0.65 -0.17 0.00 0.00 175.17 175.50 3hkw h PRO 247 N 2.89 0.73 -0.34 4.34 0.11 -2.00 0.24 132.00 137.98 3hkw h PRO 247 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3hkw h PRO 247 Cb 1.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3hkw h PRO 247 CO 0.63 0.49 0.03 1.96 -0.21 0.00 0.00 178.00 180.90 3hkw h GLN 248 N 0.76 0.50 -0.32 1.05 4.20 -2.00 -2.34 115.11 116.96 3hkw h GLN 248 Ca 0.57 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 59.08 3hkw h GLN 248 Cb 0.90 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3hkw h GLN 248 CO -0.36 0.51 -0.22 0.00 -0.67 0.00 0.00 178.83 178.08 3hkw h ALA 249 N 1.55 0.46 -0.41 3.87 0.00 -1.36 -1.81 119.26 121.56 3hkw h ALA 249 Ca 0.11 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hkw h ALA 249 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3hkw h ALA 249 CO 0.00 0.42 0.21 0.00 0.00 0.00 0.00 179.25 179.88 3hkw h ARG 250 N 0.48 0.40 -0.39 0.00 3.08 -0.90 0.16 114.38 117.22 3hkw h ARG 250 Ca 0.06 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3hkw h ARG 250 Cb 0.78 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3hkw h ARG 250 CO 0.06 0.27 0.01 0.28 -1.07 0.00 0.00 179.97 179.52 3hkw h VAL 251 N 0.42 1.26 -0.73 2.04 2.07 -1.44 -2.02 116.25 117.85 3hkw h VAL 251 Ca 0.18 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3hkw h VAL 251 Cb 0.08 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3hkw h VAL 251 CO -0.12 0.33 0.19 0.00 0.02 0.00 0.00 177.57 177.99 3hkw h ALA 252 N 0.89 0.96 -0.52 1.67 0.00 -0.92 -0.45 119.26 120.89 3hkw h ALA 252 Ca 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3hkw h ALA 252 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hkw h ALA 252 CO 0.02 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.79 3hkw h ILE 253 N 1.10 1.26 -0.61 0.00 2.04 -0.64 0.18 117.51 120.84 3hkw h ILE 253 Ca 0.23 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 3hkw h ILE 253 Cb 0.35 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3hkw h ILE 253 CO -0.00 0.37 0.30 0.50 0.00 0.00 0.00 178.15 179.32 3hkw h LYS 254 N 0.78 0.87 -0.14 2.37 1.63 -1.07 -0.60 116.57 120.40 3hkw h LYS 254 Ca 0.15 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 3hkw h LYS 254 Cb 0.49 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 3hkw h LYS 254 CO 0.02 0.70 0.03 0.77 -3.45 0.00 0.00 179.45 177.52 3hkw h SER 255 N 0.83 0.23 -0.79 4.20 0.02 -0.90 -1.04 113.55 116.09 3hkw h SER 255 Ca 0.21 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3hkw h SER 255 Cb 0.11 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3hkw h SER 255 CO -0.03 0.42 0.43 -0.07 -1.14 0.00 0.00 176.83 176.45 3hkw h LEU 256 N 0.02 1.00 0.32 5.07 3.38 -0.88 0.22 115.31 124.44 3hkw h LEU 256 Ca 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3hkw h LEU 256 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hkw h LEU 256 CO 0.00 0.81 -0.15 0.74 0.09 0.00 0.00 178.44 179.93 3hkw h THR 257 N 1.12 0.70 -0.06 0.22 2.02 -0.92 0.21 112.91 116.20 3hkw h THR 257 Ca 0.28 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 3hkw h THR 257 Cb 0.04 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3hkw h THR 257 CO -0.04 0.04 -0.55 -0.33 0.37 0.00 0.00 175.52 175.00 3hkw h GLU 258 N -0.52 0.19 0.00 6.66 4.39 -0.90 -0.53 114.58 123.86 3hkw h GLU 258 Ca -0.04 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3hkw h GLU 258 Cb 0.39 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3hkw h GLU 258 CO 0.07 0.69 -1.59 0.54 -1.16 0.00 0.00 179.01 177.57 3hkw n ARG 259 N -3.91 0.64 0.07 2.33 1.74 0.75 -4.70 116.66 113.59 3hkw n ARG 259 Ca -0.02 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3hkw n ARG 259 Cb 0.57 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3hkw n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hkw n LEU 260 N -2.45 0.14 -0.18 0.55 7.94 0.05 -0.07 117.00 122.97 3hkw n LEU 260 Ca -0.03 0.24 -0.08 0.00 -1.11 0.00 0.00 56.01 55.03 3hkw n LEU 260 Cb 0.57 0.11 0.06 0.00 0.53 0.00 0.00 43.42 44.70 3hkw n LEU 260 CO 0.43 -0.61 0.83 1.88 -1.11 0.00 0.00 177.39 178.81 3hkw h TYR 261 N 0.00 1.08 0.00 1.96 0.05 -0.50 -3.01 116.97 116.55 3hkw h TYR 261 Ca 0.00 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 3hkw h TYR 261 Cb 0.13 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 3hkw h TYR 261 CO 0.00 0.97 -0.19 -0.39 -1.05 0.00 0.00 178.16 177.50 3hkw h VAL 262 N 0.91 0.42 0.00 -2.88 -1.51 -1.34 -3.41 116.25 108.44 3hkw h VAL 262 Ca 0.16 -1.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 3hkw h VAL 262 Cb 0.55 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 3hkw h VAL 262 CO 0.03 0.18 0.00 0.61 -1.23 0.00 0.00 177.57 177.16 3hkw n GLY 263 N 0.37 -0.28 0.00 5.19 0.00 -1.14 -4.19 105.19 105.14 3hkw n GLY 263 Ca 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3hkw n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 264 N -1.11 0.18 3.81 -0.02 0.00 -0.33 -4.13 105.19 103.59 3hkw n GLY 264 Ca 0.00 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 3hkw n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hkw s PRO 265 N -1.77 3.86 -0.18 1.61 0.04 -1.26 -0.80 135.00 136.50 3hkw s PRO 265 Ca 0.00 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 3hkw s PRO 265 Cb 0.00 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 3hkw s PRO 265 CO 0.00 -0.37 -0.08 -0.51 0.04 0.00 0.00 177.00 176.09 3hkw s LEU 266 N -3.54 2.87 -0.04 -3.56 1.43 -0.25 -2.48 118.68 113.12 3hkw s LEU 266 Ca 0.65 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 3hkw s LEU 266 Cb -0.14 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3hkw s LEU 266 CO 0.20 0.08 -0.24 -0.89 0.23 0.00 0.00 176.35 175.73 3hkw s THR 267 N 0.89 1.97 0.86 5.49 2.01 0.25 -0.05 115.64 127.06 3hkw s THR 267 Ca -0.02 -1.04 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 3hkw s THR 267 Cb -0.15 -1.65 0.17 0.00 0.01 0.00 0.00 72.50 70.88 3hkw s THR 267 CO 0.01 0.55 1.19 0.54 -0.69 0.00 0.00 174.62 176.21 3hkw s ASN 268 N -0.33 3.60 0.58 3.53 2.20 -0.44 -1.18 114.94 122.90 3hkw s ASN 268 Ca 0.02 -0.04 0.35 0.00 -0.94 0.00 0.00 52.86 52.25 3hkw s ASN 268 Cb -0.12 -0.12 1.74 0.00 -2.00 0.00 0.00 41.25 40.76 3hkw s ASN 268 CO 0.02 -2.39 2.15 0.77 -2.94 0.00 0.00 177.10 174.70 3hkw h SER 269 N -1.18 0.00 0.42 3.54 4.64 -1.78 -0.77 113.55 118.43 3hkw h SER 269 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3hkw h SER 269 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hkw h SER 269 CO 0.38 0.05 -0.13 0.29 -0.87 0.00 0.00 176.83 176.54 3hkw n LYS 270 N -3.31 0.58 -0.66 4.77 5.02 -1.26 -4.93 118.16 118.37 3hkw n LYS 270 Ca -0.02 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 3hkw n LYS 270 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3hkw n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hkw n GLY 271 N 1.32 0.67 3.80 0.72 0.00 -0.29 -5.06 105.19 106.34 3hkw n GLY 271 Ca 0.13 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3hkw n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkw s GLU 272 N -0.37 4.44 -0.17 1.61 2.02 -1.26 -4.81 118.70 120.16 3hkw s GLU 272 Ca 0.00 1.14 -0.29 0.00 0.02 0.00 0.00 54.97 55.84 3hkw s GLU 272 Cb 0.00 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 3hkw s GLU 272 CO 0.00 0.30 1.47 1.21 0.02 0.00 0.00 175.26 178.26 3hkw s ASN 273 N -1.67 6.68 -0.07 -0.19 3.04 -1.26 -1.32 114.94 120.15 3hkw s ASN 273 Ca 0.48 1.75 0.20 0.00 0.04 0.00 0.00 52.86 55.33 3hkw s ASN 273 Cb -0.17 -2.54 -0.28 0.00 -1.54 0.00 0.00 41.25 36.73 3hkw s ASN 273 CO 0.22 -0.98 0.40 0.00 -3.04 0.00 0.00 177.10 173.70 3hkw n GLY 275 N 1.43 -0.11 2.85 0.00 0.00 -1.18 -1.77 105.19 106.41 3hkw n GLY 275 Ca -0.14 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 3hkw n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hkw s TYR 276 N -3.15 0.00 -0.11 1.61 5.04 0.05 -1.08 117.35 119.71 3hkw s TYR 276 Ca 0.00 0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 54.62 3hkw s TYR 276 Cb 0.00 -0.04 -0.04 0.00 0.35 0.00 0.00 41.96 42.23 3hkw s TYR 276 CO 0.00 -0.02 0.03 0.50 -1.34 0.00 0.00 175.55 174.72 3hkw s ARG 277 N 0.21 3.24 -0.17 4.97 3.52 0.02 -1.33 118.95 129.40 3hkw s ARG 277 Ca -0.02 -0.35 0.18 0.00 -0.13 0.00 0.00 55.73 55.40 3hkw s ARG 277 Cb -0.02 -2.93 0.45 0.00 -1.56 0.00 0.00 34.95 30.89 3hkw s ARG 277 CO -0.01 0.63 1.17 0.54 -0.81 0.00 0.00 175.30 176.83 3hkw n ARG 278 N 2.38 1.53 -2.32 5.12 1.74 0.21 -1.18 116.66 124.14 3hkw n ARG 278 Ca -0.19 -3.12 -0.03 0.00 -0.77 0.00 0.00 57.85 53.74 3hkw n ARG 278 Cb 0.54 -1.25 -0.01 0.00 -1.02 0.00 0.00 32.46 30.72 3hkw n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkw n ARG 280 N -0.11 2.67 -2.45 0.00 3.00 -0.96 -4.57 116.66 114.25 3hkw n ARG 280 Ca 0.01 0.97 -0.42 0.00 -0.00 0.00 0.00 57.85 58.41 3hkw n ARG 280 Cb 0.10 -2.81 -0.03 0.00 0.00 0.00 0.00 32.46 29.72 3hkw n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hkw s ALA 281 N 1.49 3.38 -0.58 5.13 0.00 -1.26 -4.77 121.76 125.15 3hkw s ALA 281 Ca 0.77 0.80 0.26 0.00 0.00 0.00 0.00 51.96 53.78 3hkw s ALA 281 Cb -0.53 -3.44 0.84 0.00 0.00 0.00 0.00 23.12 19.99 3hkw s ALA 281 CO 0.34 -0.45 1.75 0.66 0.00 0.00 0.00 175.76 178.07 3hkw h SER 282 N 6.87 0.00 -1.18 0.00 4.64 -1.90 -3.35 113.55 118.62 3hkw h SER 282 Ca -0.41 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.37 3hkw h SER 282 Cb 1.21 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.88 3hkw h SER 282 CO 0.81 0.00 -0.82 0.61 -0.87 0.00 0.00 176.83 176.57 3hkw n GLY 283 N 0.85 5.56 3.46 -0.77 0.00 -0.03 -4.51 105.19 109.76 3hkw n GLY 283 Ca 0.04 -2.53 -0.23 0.00 0.00 0.00 0.00 46.02 43.30 3hkw n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hkw s VAL 284 N -4.96 1.97 0.36 1.61 -7.23 -1.16 -4.39 120.40 106.61 3hkw s VAL 284 Ca 0.46 -2.20 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 3hkw s VAL 284 Cb 0.40 -2.45 0.28 0.00 0.56 0.00 0.00 36.38 35.18 3hkw s VAL 284 CO -0.09 -0.32 1.99 0.25 -0.31 0.00 0.00 175.10 176.62 3hkw h LEU 285 N 2.22 0.66 -0.59 1.32 5.85 -1.80 -2.53 115.31 120.45 3hkw h LEU 285 Ca -0.40 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hkw h LEU 285 Cb 1.24 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3hkw h LEU 285 CO 0.67 0.45 0.00 0.35 -0.34 0.00 0.00 178.44 179.57 3hkw n THR 286 N -4.46 0.07 0.01 1.05 -2.24 -1.26 -4.29 114.28 103.16 3hkw n THR 286 Ca 0.09 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 3hkw n THR 286 Cb 0.15 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 3hkw n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hkw h THR 287 N 1.26 0.97 0.24 4.28 2.02 -1.72 0.30 112.91 120.26 3hkw h THR 287 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3hkw h THR 287 Cb 0.27 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3hkw h THR 287 CO 0.00 0.01 -0.11 -1.28 0.37 0.00 0.00 175.52 174.50 3hkw h SER 288 N 0.05 -0.27 -0.27 4.18 0.87 -1.75 -1.12 113.55 115.24 3hkw h SER 288 Ca 0.03 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3hkw h SER 288 Cb 0.03 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3hkw h SER 288 CO -0.04 -0.01 0.16 0.00 -0.53 0.00 0.00 176.83 176.41 3hkw h GLY 290 N 0.34 0.45 1.00 0.00 0.00 -0.43 -0.15 103.07 104.29 3hkw h GLY 290 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3hkw h GLY 290 CO -0.02 0.23 0.38 3.43 0.00 0.00 0.00 176.54 180.56 3hkw h ASN 291 N 0.31 0.70 -0.14 0.19 2.35 -1.10 -0.44 115.58 117.46 3hkw h ASN 291 Ca 0.10 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3hkw h ASN 291 Cb 0.16 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3hkw h ASN 291 CO -0.01 0.53 0.08 0.74 -1.65 0.00 0.00 177.43 177.11 3hkw h THR 292 N 0.81 1.08 -0.37 2.81 2.02 -0.55 0.34 112.91 119.06 3hkw h THR 292 Ca 0.22 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3hkw h THR 292 Cb -0.06 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3hkw h THR 292 CO -0.04 0.08 0.18 -0.07 0.37 0.00 0.00 175.52 176.03 3hkw h LEU 293 N 0.14 0.48 -0.38 2.58 3.38 -0.89 -0.24 115.31 120.37 3hkw h LEU 293 Ca 0.05 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3hkw h LEU 293 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hkw h LEU 293 CO -0.01 0.47 -0.13 0.74 0.09 0.00 0.00 178.44 179.61 3hkw h THR 294 N 0.46 1.28 -0.41 0.22 2.02 -0.95 0.06 112.91 115.59 3hkw h THR 294 Ca 0.13 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 3hkw h THR 294 Cb 0.12 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3hkw h THR 294 CO -0.02 0.41 0.19 0.00 0.37 0.00 0.00 175.52 176.47 3hkw h TYR 296 N 0.51 -0.06 0.07 0.00 5.03 -0.87 0.81 116.97 122.47 3hkw h TYR 296 Ca 0.14 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 3hkw h TYR 296 Cb 0.13 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.46 3hkw h TYR 296 CO -0.01 -0.05 -0.04 0.82 -1.32 0.00 0.00 178.16 177.56 3hkw h ILE 297 N 0.01 0.98 -0.32 1.81 2.04 -0.83 0.18 117.51 121.39 3hkw h ILE 297 Ca 0.07 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3hkw h ILE 297 Cb 0.10 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3hkw h ILE 297 CO -0.14 0.05 0.16 0.11 0.00 0.00 0.00 178.15 178.33 3hkw h LYS 298 N -0.18 0.45 -0.52 2.37 1.57 -1.22 -2.17 116.57 116.87 3hkw h LYS 298 Ca -0.01 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3hkw h LYS 298 Cb 0.15 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3hkw h LYS 298 CO 0.02 0.39 -0.03 0.00 -0.57 0.00 0.00 179.45 179.26 3hkw h ALA 299 N 1.03 0.70 -0.50 3.86 0.00 -0.75 0.16 119.26 123.76 3hkw h ALA 299 Ca 0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hkw h ALA 299 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hkw h ALA 299 CO -0.02 0.54 0.15 -0.09 0.00 0.00 0.00 179.25 179.84 3hkw h ARG 300 N 0.80 0.79 -0.70 0.00 2.43 -0.92 -0.43 114.38 116.34 3hkw h ARG 300 Ca 0.14 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3hkw h ARG 300 Cb 0.56 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3hkw h ARG 300 CO 0.03 0.74 0.25 0.00 -1.51 0.00 0.00 179.97 179.48 3hkw h ALA 301 N 1.01 0.91 -0.16 2.80 0.00 -1.26 -3.02 119.26 119.54 3hkw h ALA 301 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3hkw h ALA 301 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hkw h ALA 301 CO -0.00 0.56 -0.29 0.00 0.00 0.00 0.00 179.25 179.52 3hkw h ALA 302 N 1.12 1.23 -0.77 0.00 0.00 -0.37 -1.51 119.26 118.96 3hkw h ALA 302 Ca 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hkw h ALA 302 Cb 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hkw h ALA 302 CO -0.01 0.51 0.41 0.00 0.00 0.00 0.00 179.25 180.16 3hkw h ARG 304 N 1.08 0.37 -0.73 0.00 3.08 -1.33 -1.45 114.38 115.40 3hkw h ARG 304 Ca 0.27 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3hkw h ARG 304 Cb 0.05 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 3hkw h ARG 304 CO -0.04 0.82 0.48 0.00 -1.07 0.00 0.00 179.97 180.16 3hkw h ALA 305 N 0.55 1.55 -0.00 0.04 0.00 -1.06 -2.14 119.26 118.20 3hkw h ALA 305 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hkw h ALA 305 Cb 0.79 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hkw h ALA 305 CO 0.05 0.38 -0.10 0.00 0.00 0.00 0.00 179.25 179.58 3hkw n ALA 306 N -2.43 2.64 -2.03 0.00 0.00 0.16 -4.93 120.51 113.93 3hkw n ALA 306 Ca 0.09 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 3hkw n ALA 306 Cb 0.10 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 3hkw n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 307 N 1.42 0.19 3.76 0.00 0.00 -0.81 -4.74 105.19 105.00 3hkw n GLY 307 Ca 0.10 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3hkw n GLY 307 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hkw s LEU 308 N -3.18 4.51 -0.16 0.99 1.43 -0.61 -5.01 118.68 116.64 3hkw s LEU 308 Ca 0.00 2.36 -0.06 0.00 -1.03 0.00 0.00 54.13 55.41 3hkw s LEU 308 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3hkw s LEU 308 CO 0.00 -0.27 0.02 -1.10 0.23 0.00 0.00 176.35 175.23 3hkw s GLN 309 N -1.33 3.77 -1.18 1.70 -1.52 -1.26 -4.62 119.66 115.23 3hkw s GLN 309 Ca 0.47 -0.41 -0.13 0.00 -1.95 0.00 0.00 55.36 53.34 3hkw s GLN 309 Cb -0.34 -3.06 -0.02 0.00 -0.22 0.00 0.00 33.01 29.37 3hkw s GLN 309 CO 0.43 0.31 0.76 -3.47 -0.25 0.00 0.00 175.29 173.07 3hkw n ASP 310 N 3.38 -4.27 -4.73 5.90 2.03 -1.26 -0.81 116.55 116.79 3hkw n ASP 310 Ca -0.17 -0.94 -0.41 0.00 0.52 0.00 0.00 54.79 53.79 3hkw n ASP 310 Cb 0.52 -3.74 -0.04 0.00 -0.72 0.00 0.00 41.12 37.15 3hkw n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hkw s THR 312 N -0.15 3.47 0.05 0.00 2.01 0.77 -4.99 115.64 116.80 3hkw s THR 312 Ca 0.49 -0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.06 3hkw s THR 312 Cb -0.28 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 3hkw s THR 312 CO 0.33 0.48 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.53 3hkw s MET 313 N 0.73 2.09 -0.14 4.92 -1.94 -1.26 -0.91 119.30 122.78 3hkw s MET 313 Ca -0.03 -0.98 -0.01 0.00 -1.71 0.00 0.00 55.69 52.96 3hkw s MET 313 Cb -0.15 -2.21 0.04 0.00 2.01 0.00 0.00 34.83 34.52 3hkw s MET 313 CO 0.02 0.54 -0.05 -1.17 -0.01 0.00 0.00 175.02 174.34 3hkw s LEU 314 N -1.51 1.38 -0.11 -0.03 2.96 -0.25 -4.25 118.68 116.87 3hkw s LEU 314 Ca 0.15 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3hkw s LEU 314 Cb -0.11 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.74 3hkw s LEU 314 CO 0.06 -0.17 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.02 3hkw s VAL 315 N 1.69 1.95 -0.35 1.68 1.01 -0.18 -1.65 120.40 124.55 3hkw s VAL 315 Ca 0.02 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 3hkw s VAL 315 Cb -0.14 -1.71 0.12 0.00 0.00 0.00 0.00 36.38 34.65 3hkw s VAL 315 CO -0.08 0.53 0.17 0.00 0.00 0.00 0.00 175.10 175.72 3hkw n GLY 317 N 4.37 3.83 0.20 0.00 0.00 -1.26 -1.09 105.19 111.23 3hkw n GLY 317 Ca 0.04 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.19 3hkw n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hkw n ASP 318 N 6.87 0.63 -4.72 1.61 5.75 -1.26 -3.76 116.55 121.66 3hkw n ASP 318 Ca 0.00 -1.13 -0.39 0.00 -0.01 0.00 0.00 54.79 53.26 3hkw n ASP 318 Cb 0.00 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 3hkw n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hkw s ASP 319 N -2.06 6.92 -0.05 -1.12 2.15 -0.25 -4.67 116.67 117.58 3hkw s ASP 319 Ca 0.42 1.10 0.01 0.00 0.43 0.00 0.00 52.55 54.51 3hkw s ASP 319 Cb 0.21 -2.38 0.02 0.00 -0.30 0.00 0.00 42.92 40.48 3hkw s ASP 319 CO 0.37 -0.07 -0.04 -0.22 -0.17 0.00 0.00 175.17 175.05 3hkw s LEU 320 N 0.65 1.22 -0.00 -1.34 2.96 -1.26 -1.32 118.68 119.59 3hkw s LEU 320 Ca 0.34 -0.12 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 3hkw s LEU 320 Cb -0.17 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.07 3hkw s LEU 320 CO 0.16 -0.08 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.21 3hkw s VAL 321 N 1.07 1.70 -0.05 1.68 1.01 -0.66 -2.02 120.40 123.12 3hkw s VAL 321 Ca -0.09 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.93 3hkw s VAL 321 Cb -0.14 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.83 3hkw s VAL 321 CO -0.01 0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 174.73 3hkw s VAL 322 N -0.57 0.90 -0.12 2.92 1.01 -0.23 -1.09 120.40 123.22 3hkw s VAL 322 Ca 0.08 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3hkw s VAL 322 Cb -0.08 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.46 3hkw s VAL 322 CO -0.00 0.30 -0.22 -0.63 0.00 0.00 0.00 175.10 174.54 3hkw s ILE 323 N 0.62 2.01 0.33 2.22 1.01 -0.09 -0.92 121.20 126.37 3hkw s ILE 323 Ca -0.11 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.61 3hkw s ILE 323 Cb -0.14 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 3hkw s ILE 323 CO 0.02 0.54 0.32 0.00 0.00 0.00 0.00 174.94 175.83 3hkw s GLU 325 N -3.39 4.39 0.34 0.00 0.41 0.01 -1.38 118.70 119.08 3hkw s GLU 325 Ca 0.38 1.19 -0.28 0.00 -0.41 0.00 0.00 54.97 55.85 3hkw s GLU 325 Cb 0.02 -3.54 -0.10 0.00 -1.78 0.00 0.00 34.13 28.73 3hkw s GLU 325 CO 0.25 -0.26 1.29 0.45 -0.49 0.00 0.00 175.26 176.50 3hkw s SER 326 N 1.08 6.76 0.00 -0.19 0.15 0.35 -4.44 113.70 117.41 3hkw s SER 326 Ca 0.43 2.64 0.16 0.00 0.70 0.00 0.00 55.95 59.88 3hkw s SER 326 Cb -0.18 -2.65 0.40 0.00 -1.71 0.00 0.00 66.02 61.89 3hkw s SER 326 CO 0.16 -0.54 1.32 0.00 1.20 0.00 0.00 173.24 175.39 3hkw n ALA 327 N 0.74 2.29 0.00 5.45 0.00 -1.26 -4.90 120.51 122.83 3hkw n ALA 327 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3hkw n ALA 327 Cb 0.42 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3hkw n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 328 N 0.97 2.54 0.36 0.00 0.00 -1.26 -4.65 105.19 103.15 3hkw n GLY 328 Ca 0.16 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 3hkw n GLY 328 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hkw h VAL 329 N 0.00 0.23 -0.29 1.61 2.07 -1.98 0.11 116.25 118.01 3hkw h VAL 329 Ca 0.00 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 3hkw h VAL 329 Cb 0.00 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3hkw h VAL 329 CO 0.00 0.02 -0.23 1.56 0.02 0.00 0.00 177.57 178.94 3hkw h GLN 330 N -1.08 0.54 0.11 1.57 1.08 -1.99 -1.47 115.11 113.88 3hkw h GLN 330 Ca -0.09 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3hkw h GLN 330 Cb 0.71 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 3hkw h GLN 330 CO 0.15 0.74 -0.09 0.93 -0.95 0.00 0.00 178.83 179.61 3hkw h GLU 331 N 0.48 -0.20 -0.49 1.46 3.07 -1.81 -0.37 114.58 116.73 3hkw h GLU 331 Ca 0.07 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3hkw h GLU 331 Cb 0.67 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 3hkw h GLU 331 CO 0.05 -0.13 0.31 -0.44 -1.40 0.00 0.00 179.01 177.39 3hkw h ASP 332 N -0.21 0.57 -0.65 1.42 3.32 -0.61 0.64 116.42 120.90 3hkw h ASP 332 Ca -0.00 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3hkw h ASP 332 Cb 0.19 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3hkw h ASP 332 CO -0.01 0.44 0.24 0.00 -1.72 0.00 0.00 179.24 178.19 3hkw h ALA 333 N 1.16 1.15 -0.28 3.45 0.00 -1.10 -0.87 119.26 122.77 3hkw h ALA 333 Ca 0.18 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3hkw h ALA 333 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3hkw h ALA 333 CO -0.04 0.60 -0.57 0.00 0.00 0.00 0.00 179.25 179.24 3hkw h ALA 334 N 1.27 0.44 -0.43 0.00 0.00 -0.74 -2.48 119.26 117.32 3hkw h ALA 334 Ca 0.22 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3hkw h ALA 334 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hkw h ALA 334 CO -0.01 0.68 0.10 0.66 0.00 0.00 0.00 179.25 180.68 3hkw h SER 335 N 0.66 0.60 0.35 0.00 4.64 -0.57 -1.33 113.55 117.91 3hkw h SER 335 Ca 0.01 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 3hkw h SER 335 Cb 1.19 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3hkw h SER 335 CO 0.13 0.60 -0.64 0.25 -0.87 0.00 0.00 176.83 176.30 3hkw h LEU 336 N 0.63 0.31 -0.86 5.97 5.85 -1.09 0.88 115.31 127.01 3hkw h LEU 336 Ca 0.14 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3hkw h LEU 336 Cb 0.24 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3hkw h LEU 336 CO -0.00 0.87 0.19 0.03 -0.34 0.00 0.00 178.44 179.19 3hkw h ARG 337 N 0.20 1.04 -0.38 1.25 3.08 -1.07 -1.53 114.38 116.96 3hkw h ARG 337 Ca -0.01 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 3hkw h ARG 337 Cb 1.16 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3hkw h ARG 337 CO 0.10 0.90 -0.26 0.00 -1.07 0.00 0.00 179.97 179.63 3hkw h ALA 338 N 1.21 0.81 -0.42 0.04 0.00 -0.85 -0.50 119.26 119.56 3hkw h ALA 338 Ca 0.22 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hkw h ALA 338 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hkw h ALA 338 CO -0.00 0.64 0.27 0.35 0.00 0.00 0.00 179.25 180.51 3hkw h PHE 339 N 0.68 0.50 -0.79 0.00 3.04 -0.68 -0.98 116.94 118.72 3hkw h PHE 339 Ca 0.09 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 3hkw h PHE 339 Cb 0.79 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 3hkw h PHE 339 CO 0.04 0.31 0.40 1.15 -2.02 0.00 0.00 178.31 178.19 3hkw h THR 340 N 0.54 1.24 -0.59 4.41 2.02 -1.01 -0.64 112.91 118.88 3hkw h THR 340 Ca 0.16 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3hkw h THR 340 Cb -0.04 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 3hkw h THR 340 CO -0.05 0.28 0.31 -0.33 0.37 0.00 0.00 175.52 176.10 3hkw h GLU 341 N 1.10 0.83 -0.17 6.66 5.08 -0.75 -0.01 114.58 127.32 3hkw h GLU 341 Ca 0.27 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3hkw h GLU 341 Cb 0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3hkw h GLU 341 CO -0.04 0.64 0.05 0.00 -1.00 0.00 0.00 179.01 178.66 3hkw h ALA 342 N 1.14 0.23 -0.77 3.43 0.00 -0.87 -1.13 119.26 121.29 3hkw h ALA 342 Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hkw h ALA 342 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3hkw h ALA 342 CO -0.03 -0.14 0.51 0.52 0.00 0.00 0.00 179.25 180.10 3hkw h MET 343 N 0.09 0.99 -0.32 0.00 2.86 -0.92 -1.31 114.93 116.33 3hkw h MET 343 Ca 0.05 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3hkw h MET 343 Cb 0.25 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3hkw h MET 343 CO -0.00 0.66 0.06 1.15 1.06 0.00 0.00 176.91 179.83 3hkw h THR 344 N 1.02 1.23 -0.86 2.22 2.02 -0.83 0.39 112.91 118.11 3hkw h THR 344 Ca 0.29 -0.80 0.09 0.00 0.77 0.00 0.00 66.41 66.75 3hkw h THR 344 Cb -0.09 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 3hkw h THR 344 CO -0.07 0.27 0.56 0.03 0.37 0.00 0.00 175.52 176.68 3hkw h ARG 345 N 0.36 0.84 0.00 6.66 3.08 -0.57 -1.04 114.38 123.70 3hkw h ARG 345 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hkw h ARG 345 Cb 0.34 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3hkw h ARG 345 CO 0.01 0.56 0.00 0.66 -1.07 0.00 0.00 179.97 180.12 3hkw n TYR 346 N -4.51 0.00 -2.53 3.04 4.01 -0.55 -0.73 117.16 115.88 3hkw n TYR 346 Ca 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.79 3hkw n TYR 346 Cb 0.29 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.36 3hkw n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hkw n SER 347 N -0.62 -4.76 -2.85 7.72 2.88 -0.40 -4.88 113.62 110.71 3hkw n SER 347 Ca 0.05 -0.42 -0.12 0.00 -1.33 0.00 0.00 58.87 57.06 3hkw n SER 347 Cb 0.03 -3.29 0.04 0.00 -0.75 0.00 0.00 64.21 60.24 3hkw n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkw n ALA 348 N -2.52 -0.31 -1.54 -1.46 0.00 0.13 -4.63 120.51 110.19 3hkw n ALA 348 Ca -0.04 -1.90 -0.31 0.00 0.00 0.00 0.00 53.44 51.19 3hkw n ALA 348 Cb 0.57 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.93 3hkw n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hkw s PRO 349 N -0.06 2.49 0.47 0.00 0.04 -1.26 -3.94 135.00 132.75 3hkw s PRO 349 Ca 0.30 0.83 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 3hkw s PRO 349 Cb 0.26 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 3hkw s PRO 349 CO -0.14 -1.38 0.78 -1.25 0.04 0.00 0.00 177.00 175.05 3hkw s PRO 350 N -5.08 3.57 0.00 0.56 0.04 -1.26 -1.37 135.00 131.45 3hkw s PRO 350 Ca 0.59 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.86 3hkw s PRO 350 Cb -0.14 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.01 3hkw s PRO 350 CO 0.55 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.82 3hkw n GLY 351 N -2.14 1.52 3.71 0.56 0.00 -0.17 -4.35 105.19 104.32 3hkw n GLY 351 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hkw n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkw s ASP 352 N -1.09 6.95 0.54 1.61 1.01 -1.26 -4.96 116.67 119.47 3hkw s ASP 352 Ca 0.00 2.16 -0.22 0.00 0.71 0.00 0.00 52.55 55.20 3hkw s ASP 352 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 3hkw s ASP 352 CO 0.00 -0.57 1.33 -2.84 0.21 0.00 0.00 175.17 173.30 3hkw s PRO 353 N 1.19 3.16 0.46 8.23 0.02 -1.26 -4.55 135.00 142.25 3hkw s PRO 353 Ca 0.62 2.17 -0.23 0.00 0.02 0.00 0.00 61.00 63.57 3hkw s PRO 353 Cb -0.33 -2.24 -0.07 0.00 0.02 0.00 0.00 34.50 31.88 3hkw s PRO 353 CO 0.29 -1.15 1.16 -1.25 -0.33 0.00 0.00 177.00 175.72 3hkw s PRO 354 N -2.93 3.75 -0.06 5.54 0.04 -1.26 -5.02 135.00 135.07 3hkw s PRO 354 Ca 0.72 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.56 3hkw s PRO 354 Cb -0.39 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 3hkw s PRO 354 CO 0.46 -0.55 -0.24 -0.65 0.04 0.00 0.00 177.00 176.06 3hkw s GLN 355 N -2.73 2.47 0.30 4.56 -1.52 -1.26 -4.95 119.66 116.54 3hkw s GLN 355 Ca 0.64 -0.85 -0.29 0.00 -1.95 0.00 0.00 55.36 52.91 3hkw s GLN 355 Cb -0.28 -2.07 -0.10 0.00 -0.22 0.00 0.00 33.01 30.34 3hkw s GLN 355 CO 0.34 0.33 1.37 -2.14 -0.25 0.00 0.00 175.29 174.94 3hkw s PRO 356 N -0.07 4.30 -0.02 2.91 0.02 -1.26 -4.61 135.00 136.28 3hkw s PRO 356 Ca -0.05 2.27 0.06 0.00 0.02 0.00 0.00 61.00 63.30 3hkw s PRO 356 Cb -0.14 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 3hkw s PRO 356 CO 0.04 -0.30 -0.21 -1.21 -0.33 0.00 0.00 177.00 174.99 3hkw s GLU 357 N -1.24 1.76 0.00 5.54 0.41 0.46 -4.97 118.70 120.66 3hkw s GLU 357 Ca 0.53 -0.75 0.07 0.00 -0.41 0.00 0.00 54.97 54.41 3hkw s GLU 357 Cb -0.41 -1.68 0.14 0.00 -1.78 0.00 0.00 34.13 30.41 3hkw s GLU 357 CO 0.50 0.44 1.00 0.66 -0.49 0.00 0.00 175.26 177.37 3hkw n TYR 358 N 2.61 0.18 -4.26 1.61 4.02 -1.26 -0.99 117.16 119.07 3hkw n TYR 358 Ca -0.16 -0.32 -0.28 0.00 -0.01 0.00 0.00 57.90 57.13 3hkw n TYR 358 Cb 0.53 -0.02 -0.17 0.00 -0.02 0.00 0.00 39.34 39.66 3hkw n TYR 358 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hkw s ASP 359 N -0.85 2.39 0.40 7.72 -1.08 -1.26 -4.99 116.67 119.00 3hkw s ASP 359 Ca 0.12 -0.41 0.11 0.00 -0.52 0.00 0.00 52.55 51.85 3hkw s ASP 359 Cb 0.07 -1.04 0.92 0.00 -1.46 0.00 0.00 42.92 41.40 3hkw s ASP 359 CO 0.09 -0.03 1.97 0.25 0.52 0.00 0.00 175.17 177.98 3hkw h LEU 360 N 7.67 0.49 -2.04 -1.34 5.85 -1.96 -1.63 115.31 122.35 3hkw h LEU 360 Ca -0.33 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hkw h LEU 360 Cb 1.16 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3hkw h LEU 360 CO 0.48 0.30 0.00 -0.33 -0.34 0.00 0.00 178.44 178.55 3hkw h GLU 361 N 0.54 0.00 -0.11 1.25 3.07 -1.96 -2.72 114.58 114.64 3hkw h GLU 361 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3hkw h GLU 361 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3hkw h GLU 361 CO -0.09 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.80 3hkw n LEU 362 N -2.79 2.45 -4.68 1.33 4.77 -0.61 -4.54 117.00 112.92 3hkw n LEU 362 Ca -0.01 -0.90 -0.38 0.00 -0.03 0.00 0.00 56.01 54.69 3hkw n LEU 362 Cb 0.13 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3hkw n LEU 362 CO 0.19 0.45 0.11 -0.63 -1.33 0.00 0.00 177.39 176.18 3hkw s ILE 363 N -1.87 5.20 -0.19 -0.08 1.01 -1.03 -5.04 121.20 119.20 3hkw s ILE 363 Ca 0.34 0.74 -0.04 0.00 0.00 0.00 0.00 60.65 61.69 3hkw s ILE 363 Cb 0.20 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3hkw s ILE 363 CO 0.31 0.27 -0.04 -0.89 0.00 0.00 0.00 174.94 174.59 3hkw s THR 364 N 1.17 3.62 -0.08 2.92 2.01 -1.26 -4.31 115.64 119.71 3hkw s THR 364 Ca 0.20 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 3hkw s THR 364 Cb -0.15 -2.62 0.04 0.00 0.01 0.00 0.00 72.50 69.78 3hkw s THR 364 CO 0.08 0.44 0.19 -0.94 -0.69 0.00 0.00 174.62 173.71 3hkw s SER 365 N 1.03 -0.19 -1.39 3.53 1.04 -0.07 -4.72 113.70 112.93 3hkw s SER 365 Ca 0.01 0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.81 3hkw s SER 365 Cb -0.15 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3hkw s SER 365 CO 0.01 -0.14 0.64 0.00 0.98 0.00 0.00 173.24 174.73 3hkw n SER 367 N -2.98 0.00 -4.40 0.00 7.64 -1.26 -4.94 113.62 107.67 3hkw n SER 367 Ca -0.24 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.38 3hkw n SER 367 Cb 0.65 -1.60 -0.12 0.00 -1.01 0.00 0.00 64.21 62.13 3hkw n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3hkw s SER 368 N -2.36 3.26 0.09 6.43 0.01 -0.67 -4.41 113.70 116.04 3hkw s SER 368 Ca 0.00 -0.85 0.03 0.00 1.31 0.00 0.00 55.95 56.44 3hkw s SER 368 Cb 0.00 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 3hkw s SER 368 CO 0.00 0.10 -0.09 0.54 0.41 0.00 0.00 173.24 174.19 3hkw s ASN 369 N -2.59 1.34 0.26 2.44 4.22 0.11 -0.89 114.94 119.82 3hkw s ASN 369 Ca 0.19 -0.80 -0.30 0.00 -2.14 0.00 0.00 52.86 49.81 3hkw s ASN 369 Cb -0.08 0.02 -0.09 0.00 1.28 0.00 0.00 41.25 42.38 3hkw s ASN 369 CO 0.09 -0.28 1.11 -0.69 -2.04 0.00 0.00 177.10 175.29 3hkw s VAL 370 N -2.44 3.53 0.25 3.54 1.01 -1.26 -0.81 120.40 124.22 3hkw s VAL 370 Ca 0.04 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.53 3hkw s VAL 370 Cb -0.03 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3hkw s VAL 370 CO -0.01 0.33 0.17 -0.55 0.00 0.00 0.00 175.10 175.05 3hkw s SER 371 N -0.68 0.81 -0.06 3.32 0.15 0.15 -4.24 113.70 113.16 3hkw s SER 371 Ca 0.46 -1.51 0.05 0.00 0.70 0.00 0.00 55.95 55.64 3hkw s SER 371 Cb -0.32 0.42 -0.00 0.00 -1.71 0.00 0.00 66.02 64.41 3hkw s SER 371 CO 0.40 -0.90 -0.20 -0.69 1.20 0.00 0.00 173.24 173.05 3hkw s VAL 372 N -3.87 1.69 0.00 4.45 1.01 -1.26 -1.48 120.40 120.94 3hkw s VAL 372 Ca 0.39 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3hkw s VAL 372 Cb 0.06 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3hkw s VAL 372 CO 0.17 0.48 0.00 0.00 0.00 0.00 0.00 175.10 175.75 3hkw n ALA 373 N 3.21 0.00 -2.83 5.51 0.00 -0.22 -3.17 120.51 123.00 3hkw n ALA 373 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 3hkw n ALA 373 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 3hkw n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hkw s HIS 374 N -1.16 0.54 0.18 0.00 3.76 -0.05 -0.60 115.29 117.96 3hkw s HIS 374 Ca 0.00 -0.32 -0.02 0.00 -0.15 0.00 0.00 55.06 54.57 3hkw s HIS 374 Cb 0.00 -0.33 0.04 0.00 1.11 0.00 0.00 32.58 33.40 3hkw s HIS 374 CO 0.00 -0.06 0.24 -0.40 -0.85 0.00 0.00 174.74 173.67 3hkw n ASP 375 N 2.12 0.09 0.29 1.40 5.68 -0.43 -0.80 116.55 124.90 3hkw n ASP 375 Ca -0.18 -1.13 0.18 0.00 -0.50 0.00 0.00 54.79 53.16 3hkw n ASP 375 Cb 0.56 -0.18 0.83 0.00 -1.14 0.00 0.00 41.12 41.20 3hkw n ASP 375 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3hkw h GLY 376 N -0.28 0.00 -0.91 6.12 0.00 -1.91 -1.87 103.07 104.23 3hkw h GLY 376 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hkw h GLY 376 CO 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.51 3hkw n ALA 377 N -2.10 2.72 -0.64 3.60 0.00 -1.26 -4.95 120.51 117.88 3hkw n ALA 377 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3hkw n ALA 377 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3hkw n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 378 N 1.28 0.66 3.73 0.00 0.00 -0.70 -5.05 105.19 105.11 3hkw n GLY 378 Ca 0.15 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3hkw n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hkw s LYS 379 N -0.63 4.62 0.24 1.61 2.20 -1.26 -4.77 119.74 121.75 3hkw s LYS 379 Ca 0.00 1.64 -0.31 0.00 -0.36 0.00 0.00 55.97 56.94 3hkw s LYS 379 Cb 0.00 -3.31 -0.11 0.00 -1.51 0.00 0.00 37.83 32.89 3hkw s LYS 379 CO 0.00 0.10 1.65 1.03 -0.36 0.00 0.00 175.35 177.77 3hkw s ARG 380 N -0.17 4.13 -0.10 4.03 0.52 -1.26 -1.32 118.95 124.78 3hkw s ARG 380 Ca 0.49 2.57 0.01 0.00 -0.52 0.00 0.00 55.73 58.28 3hkw s ARG 380 Cb -0.27 -3.06 0.02 0.00 0.52 0.00 0.00 34.95 32.16 3hkw s ARG 380 CO 0.33 -0.68 -0.11 0.08 0.02 0.00 0.00 175.30 174.94 3hkw s VAL 381 N 0.66 1.20 0.12 3.52 1.01 0.23 -4.89 120.40 122.26 3hkw s VAL 381 Ca 0.69 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 3hkw s VAL 381 Cb -0.48 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 3hkw s VAL 381 CO 0.39 0.39 0.59 -0.31 0.00 0.00 0.00 175.10 176.15 3hkw s TYR 382 N 1.30 3.71 0.17 5.22 2.02 -1.26 -1.05 117.35 127.46 3hkw s TYR 382 Ca -0.02 1.22 -0.14 0.00 -0.37 0.00 0.00 57.07 57.75 3hkw s TYR 382 Cb -0.14 -2.47 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 3hkw s TYR 382 CO -0.05 0.49 0.42 1.52 -1.57 0.00 0.00 175.55 176.37 3hkw s TYR 383 N -1.30 0.02 -0.14 2.71 1.13 -0.55 -4.98 117.35 114.24 3hkw s TYR 383 Ca 0.34 -0.37 -0.10 0.00 -1.41 0.00 0.00 57.07 55.54 3hkw s TYR 383 Cb -0.17 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 40.86 3hkw s TYR 383 CO 0.19 -0.81 0.18 -0.51 -2.51 0.00 0.00 175.55 172.10 3hkw s LEU 384 N -2.89 4.32 0.36 -3.49 1.43 -1.26 -0.67 118.68 116.48 3hkw s LEU 384 Ca 0.10 0.44 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 3hkw s LEU 384 Cb 0.01 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3hkw s LEU 384 CO -0.04 0.28 0.20 0.28 0.23 0.00 0.00 176.35 177.31 3hkw s THR 385 N -0.37 0.26 0.27 5.49 -1.32 0.01 -4.78 115.64 115.20 3hkw s THR 385 Ca 0.14 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.45 3hkw s THR 385 Cb -0.12 -2.42 0.01 0.00 -1.51 0.00 0.00 72.50 68.45 3hkw s THR 385 CO 0.03 0.00 0.59 0.00 -2.21 0.00 0.00 174.62 173.03 3hkw s ARG 386 N -3.60 1.67 0.13 7.08 1.70 -1.26 -0.72 118.95 123.96 3hkw s ARG 386 Ca 0.33 -1.14 -0.31 0.00 -0.47 0.00 0.00 55.73 54.13 3hkw s ARG 386 Cb 0.03 0.54 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 3hkw s ARG 386 CO 0.21 -0.73 1.61 0.34 -1.08 0.00 0.00 175.30 175.65 3hkw s ASP 387 N -2.98 6.58 0.00 -2.89 -1.08 -1.26 -4.90 116.67 110.14 3hkw s ASP 387 Ca 0.17 2.58 0.19 0.00 -0.52 0.00 0.00 52.55 54.98 3hkw s ASP 387 Cb -0.03 -2.58 0.98 0.00 -1.46 0.00 0.00 42.92 39.82 3hkw s ASP 387 CO 0.08 -0.85 1.65 -0.81 0.52 0.00 0.00 175.17 175.76 3hkw n PRO 388 N 4.57 1.25 0.24 4.34 -0.04 -1.26 -4.40 135.00 139.69 3hkw n PRO 388 Ca 0.15 -0.38 -0.16 0.00 -0.04 0.00 0.00 63.50 63.08 3hkw n PRO 388 Cb 0.39 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 3hkw n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hkw h THR 389 N 0.76 0.61 -0.17 0.52 2.02 -1.95 -0.51 112.91 114.18 3hkw h THR 389 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3hkw h THR 389 Cb 0.17 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3hkw h THR 389 CO 0.00 0.00 -0.07 0.74 0.37 0.00 0.00 175.52 176.57 3hkw h THR 390 N -0.54 1.30 -0.79 3.16 2.02 -1.95 -0.98 112.91 115.12 3hkw h THR 390 Ca -0.05 -1.08 0.17 0.00 0.77 0.00 0.00 66.41 66.22 3hkw h THR 390 Cb 0.42 1.66 -0.11 0.00 -1.74 0.00 0.00 68.15 68.37 3hkw h THR 390 CO 0.09 0.32 0.27 -0.65 0.37 0.00 0.00 175.52 175.92 3hkw h PRO 391 N 0.04 0.35 -0.23 6.66 0.11 -1.80 -1.16 132.00 135.97 3hkw h PRO 391 Ca 0.04 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.94 3hkw h PRO 391 Cb 0.53 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3hkw h PRO 391 CO 0.02 0.23 -0.60 -0.07 -0.21 0.00 0.00 178.00 177.37 3hkw h LEU 392 N 0.36 0.86 -0.64 2.35 3.38 -0.84 -0.27 115.31 120.51 3hkw h LEU 392 Ca 0.46 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3hkw h LEU 392 Cb 0.78 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3hkw h LEU 392 CO -0.49 1.26 0.33 0.00 0.09 0.00 0.00 178.44 179.63 3hkw h ALA 393 N 0.75 0.82 -0.23 1.53 0.00 -0.90 -0.60 119.26 120.63 3hkw h ALA 393 Ca -0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3hkw h ALA 393 Cb 1.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3hkw h ALA 393 CO 0.12 0.35 -0.49 0.00 0.00 0.00 0.00 179.25 179.24 3hkw h ARG 394 N 0.87 0.61 -0.83 0.00 3.08 -1.11 -1.92 114.38 115.08 3hkw h ARG 394 Ca 0.22 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.92 3hkw h ARG 394 Cb 0.07 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3hkw h ARG 394 CO -0.03 0.96 0.54 0.00 -1.07 0.00 0.00 179.97 180.37 3hkw h ALA 395 N 0.97 1.05 -0.04 0.04 0.00 -0.68 0.38 119.26 120.99 3hkw h ALA 395 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hkw h ALA 395 Cb 1.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3hkw h ALA 395 CO 0.10 0.48 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 3hkw h ALA 396 N 1.30 -0.00 -0.38 0.00 0.00 -0.81 -1.01 119.26 118.34 3hkw h ALA 396 Ca 0.30 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3hkw h ALA 396 Cb -0.11 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hkw h ALA 396 CO -0.06 -0.52 0.20 2.35 0.00 0.00 0.00 179.25 181.21 3hkw h TRP 397 N -0.05 0.36 0.00 0.00 2.91 -1.02 -1.96 115.95 116.20 3hkw h TRP 397 Ca 0.03 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.06 3hkw h TRP 397 Cb 0.09 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 28.63 3hkw h TRP 397 CO -0.13 0.20 -0.03 0.93 -1.03 0.00 0.00 178.44 178.37 3hkw h GLU 398 N 0.40 0.00 -0.12 2.65 5.08 -0.78 0.85 114.58 122.66 3hkw h GLU 398 Ca 0.16 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.30 3hkw h GLU 398 Cb 0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.32 3hkw h GLU 398 CO -0.11 0.03 -0.80 1.15 -1.00 0.00 0.00 179.01 178.29 3hkw h THR 399 N 0.00 1.29 0.00 1.13 2.02 -0.77 -3.37 112.91 113.20 3hkw h THR 399 Ca -0.00 -2.01 -0.21 0.00 0.77 0.00 0.00 66.41 64.96 3hkw h THR 399 Cb 0.58 2.08 -0.03 0.00 -1.74 0.00 0.00 68.15 69.04 3hkw h THR 399 CO 0.00 0.63 -1.21 0.00 0.37 0.00 0.00 175.52 175.32 3hkw h ALA 400 N 0.51 0.59 -3.44 6.16 0.00 -0.60 -3.46 119.26 119.03 3hkw h ALA 400 Ca -0.07 -0.99 -0.31 0.00 0.00 0.00 0.00 54.91 53.55 3hkw h ALA 400 Cb 1.44 0.14 -0.24 0.00 0.00 0.00 0.00 17.79 19.13 3hkw h ALA 400 CO 0.16 1.18 -0.75 1.03 0.00 0.00 0.00 179.25 180.88 3hkw s ARG 401 N -2.76 0.55 0.14 0.00 0.52 0.22 -4.88 118.95 112.74 3hkw s ARG 401 Ca -0.01 -0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.29 3hkw s ARG 401 Cb 0.09 -0.41 -0.08 0.00 0.52 0.00 0.00 34.95 35.07 3hkw s ARG 401 CO 0.81 0.09 1.31 -1.58 0.02 0.00 0.00 175.30 175.95 3hkw s HIS 402 N -0.97 3.30 0.07 -0.53 5.65 -1.26 -4.33 115.29 117.21 3hkw s HIS 402 Ca -0.05 1.15 0.06 0.00 0.25 0.00 0.00 55.06 56.47 3hkw s HIS 402 Cb -0.08 -3.59 -0.03 0.00 -1.18 0.00 0.00 32.58 27.71 3hkw s HIS 402 CO 0.00 -1.91 -0.16 0.95 -0.65 0.00 0.00 174.74 172.97 3hkw s THR 403 N 0.62 1.28 0.23 0.89 -4.23 -1.26 -5.05 115.64 108.12 3hkw s THR 403 Ca 0.60 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 3hkw s THR 403 Cb -0.35 -1.20 0.08 0.00 1.34 0.00 0.00 72.50 72.37 3hkw s THR 403 CO 0.34 -0.13 1.69 1.55 -0.54 0.00 0.00 174.62 177.53 3hkw h PRO 404 N 4.37 0.85 -6.64 3.99 0.13 -1.96 -3.42 132.00 129.33 3hkw h PRO 404 Ca -0.42 -0.27 -0.70 0.00 -0.87 0.00 0.00 66.00 63.74 3hkw h PRO 404 Cb 1.19 -0.08 -0.28 0.00 0.13 0.00 0.00 31.00 31.96 3hkw h PRO 404 CO 0.41 0.90 -0.87 0.08 -0.23 0.00 0.00 178.00 178.28 3hkw s VAL 405 N -4.87 2.21 -0.46 1.56 1.01 -1.26 -4.52 120.40 114.07 3hkw s VAL 405 Ca -0.10 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 3hkw s VAL 405 Cb 0.14 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.82 3hkw s VAL 405 CO 0.83 0.49 0.32 0.20 0.00 0.00 0.00 175.10 176.94 3hkw s ASN 406 N -0.91 5.66 0.47 3.32 0.01 -0.03 -4.93 114.94 118.53 3hkw s ASN 406 Ca 0.11 -1.87 0.13 0.00 -0.71 0.00 0.00 52.86 50.52 3hkw s ASN 406 Cb -0.10 -1.99 1.07 0.00 0.41 0.00 0.00 41.25 40.64 3hkw s ASN 406 CO 0.01 -0.66 2.06 0.77 -1.51 0.00 0.00 177.10 177.76 3hkw h SER 407 N 8.41 0.09 -0.75 -1.22 4.64 -1.92 -2.64 113.55 120.17 3hkw h SER 407 Ca -0.21 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.16 3hkw h SER 407 Cb 1.07 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 3hkw h SER 407 CO 0.84 0.15 0.49 4.11 -0.87 0.00 0.00 176.83 181.55 3hkw h TRP 408 N 0.10 0.83 -0.03 4.77 5.08 -1.90 0.18 115.95 124.99 3hkw h TRP 408 Ca 0.02 0.02 -0.17 0.00 1.08 0.00 0.00 58.89 59.85 3hkw h TRP 408 Cb 0.14 -0.27 0.01 0.00 -3.00 0.00 0.00 29.16 26.04 3hkw h TRP 408 CO 0.00 0.45 -0.64 1.25 -1.28 0.00 0.00 178.44 178.22 3hkw h LEU 409 N 0.83 0.61 -0.67 0.11 5.85 -1.85 -0.78 115.31 119.41 3hkw h LEU 409 Ca 0.32 -0.73 0.05 0.00 0.84 0.00 0.00 57.88 58.35 3hkw h LEU 409 Cb 0.20 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3hkw h LEU 409 CO -0.10 1.25 0.40 1.23 -0.34 0.00 0.00 178.44 180.87 3hkw h GLY 410 N 0.02 0.98 1.40 3.75 0.00 -1.39 -1.64 103.07 106.19 3hkw h GLY 410 Ca -0.07 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 3hkw h GLY 410 CO 0.13 0.21 -0.15 3.43 0.00 0.00 0.00 176.54 180.16 3hkw h ASN 411 N 0.75 0.70 -0.46 0.19 2.35 -0.53 0.35 115.58 118.92 3hkw h ASN 411 Ca 0.29 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3hkw h ASN 411 Cb 0.11 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3hkw h ASN 411 CO -0.15 0.86 0.17 0.40 -1.65 0.00 0.00 177.43 177.06 3hkw h ILE 412 N 0.63 1.21 -0.15 2.81 2.04 -0.86 0.32 117.51 123.51 3hkw h ILE 412 Ca 0.10 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3hkw h ILE 412 Cb 0.61 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3hkw h ILE 412 CO 0.04 0.25 0.06 0.40 0.00 0.00 0.00 178.15 178.90 3hkw h ILE 413 N 0.60 1.15 0.00 -0.67 2.04 -1.01 -0.05 117.51 119.57 3hkw h ILE 413 Ca 0.15 -0.44 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 3hkw h ILE 413 Cb 0.22 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3hkw h ILE 413 CO -0.01 0.14 -0.59 0.24 0.00 0.00 0.00 178.15 177.93 3hkw h MET 414 N 0.10 0.00 0.00 2.37 2.86 -0.87 -3.33 114.93 116.06 3hkw h MET 414 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3hkw h MET 414 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3hkw h MET 414 CO -0.00 0.55 -0.37 1.19 1.06 0.00 0.00 176.91 179.34 3hkw n PHE 415 N -3.23 0.00 -0.34 -0.22 3.72 0.09 -4.87 117.46 112.62 3hkw n PHE 415 Ca 0.01 -1.27 0.17 0.00 -0.05 0.00 0.00 57.45 56.32 3hkw n PHE 415 Cb 0.76 -0.21 0.38 0.00 -0.94 0.00 0.00 39.48 39.47 3hkw n PHE 415 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hkw h ALA 416 N 0.67 1.75 0.00 4.37 0.00 -1.12 -1.21 119.26 123.74 3hkw h ALA 416 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hkw h ALA 416 Cb 1.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hkw h ALA 416 CO 0.00 -0.30 0.00 -2.30 0.00 0.00 0.00 179.25 176.65 3hkw n PRO 417 N -4.92 0.03 -2.42 0.00 -0.02 -1.26 -4.42 135.00 122.00 3hkw n PRO 417 Ca 0.27 0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 3hkw n PRO 417 Cb 0.75 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.70 3hkw n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hkw s THR 418 N -2.94 4.23 0.21 3.45 -4.23 -0.46 -4.93 115.64 110.97 3hkw s THR 418 Ca 0.10 1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 61.68 3hkw s THR 418 Cb 0.12 -3.58 0.14 0.00 1.34 0.00 0.00 72.50 70.52 3hkw s THR 418 CO 0.32 -0.51 1.83 0.25 -0.54 0.00 0.00 174.62 175.97 3hkw h LEU 419 N 1.09 0.65 -0.07 4.79 5.85 -1.89 -2.26 115.31 123.45 3hkw h LEU 419 Ca -0.48 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.01 3hkw h LEU 419 Cb 1.20 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 42.12 3hkw h LEU 419 CO 0.60 0.44 -0.94 4.11 -0.34 0.00 0.00 178.44 182.30 3hkw h TRP 420 N 0.78 1.03 -0.45 1.25 5.08 -1.92 -0.89 115.95 120.83 3hkw h TRP 420 Ca 0.29 -0.52 -0.10 0.00 1.08 0.00 0.00 58.89 59.64 3hkw h TRP 420 Cb 0.09 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.10 3hkw h TRP 420 CO -0.06 1.36 -0.12 0.00 -1.28 0.00 0.00 178.44 178.34 3hkw h ALA 421 N 0.48 0.95 -0.02 0.11 0.00 -1.78 -1.66 119.26 117.35 3hkw h ALA 421 Ca -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3hkw h ALA 421 Cb 1.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hkw h ALA 421 CO 0.19 0.61 -0.08 0.00 0.00 0.00 0.00 179.25 179.97 3hkw h ARG 422 N 0.73 0.09 0.04 0.00 3.08 -1.38 -0.61 114.38 116.34 3hkw h ARG 422 Ca 0.12 -0.07 -0.24 0.00 0.07 0.00 0.00 59.98 59.86 3hkw h ARG 422 Cb 0.61 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3hkw h ARG 422 CO 0.04 0.73 -1.16 0.52 -1.07 0.00 0.00 179.97 179.03 3hkw h MET 423 N -0.53 0.08 0.00 0.04 2.86 -1.22 -3.35 114.93 112.82 3hkw h MET 423 Ca -0.01 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 3hkw h MET 423 Cb 0.74 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3hkw h MET 423 CO 0.02 1.02 -0.80 -0.89 1.06 0.00 0.00 176.91 177.31 3hkw n ILE 424 N -3.37 1.32 -0.03 -1.22 5.41 -0.65 -4.31 119.36 116.50 3hkw n ILE 424 Ca -0.05 0.18 -0.11 0.00 1.00 0.00 0.00 62.75 63.76 3hkw n ILE 424 Cb 0.98 -2.00 -0.06 0.00 -0.71 0.00 0.00 39.64 37.85 3hkw n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hkw h LEU 425 N -0.60 0.20 -0.20 1.39 3.38 -1.33 -0.19 115.31 117.96 3hkw h LEU 425 Ca -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3hkw h LEU 425 Cb 0.72 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3hkw h LEU 425 CO -0.04 0.36 0.09 0.24 0.09 0.00 0.00 178.44 179.18 3hkw h MET 426 N 0.03 0.30 0.01 1.13 2.86 -1.25 -1.45 114.93 116.55 3hkw h MET 426 Ca 0.04 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hkw h MET 426 Cb 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3hkw h MET 426 CO -0.00 0.34 -0.01 1.15 1.06 0.00 0.00 176.91 179.45 3hkw h THR 427 N 0.19 1.02 -0.09 2.22 2.02 -1.67 -1.70 112.91 114.90 3hkw h THR 427 Ca 0.07 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3hkw h THR 427 Cb 0.14 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3hkw h THR 427 CO -0.01 0.02 0.04 -0.74 0.37 0.00 0.00 175.52 175.21 3hkw h HIS 428 N -0.06 0.13 0.00 3.16 6.17 -0.97 -1.96 115.15 121.62 3hkw h HIS 428 Ca -0.00 -0.01 -0.17 0.00 0.71 0.00 0.00 60.37 60.91 3hkw h HIS 428 Cb 0.05 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 29.92 3hkw h HIS 428 CO -0.06 0.19 -0.80 0.74 0.71 0.00 0.00 177.93 178.71 3hkw h PHE 429 N 0.02 0.00 -0.14 5.26 0.04 -1.22 -0.09 116.94 120.81 3hkw h PHE 429 Ca 0.03 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.65 3hkw h PHE 429 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3hkw h PHE 429 CO -0.03 0.80 -0.56 0.74 -0.60 0.00 0.00 178.31 178.65 3hkw h PHE 430 N 0.00 0.54 -0.06 -0.55 -1.00 -1.35 0.35 116.94 114.87 3hkw h PHE 430 Ca -0.01 -0.19 0.02 0.00 2.81 0.00 0.00 57.97 60.60 3hkw h PHE 430 Cb 1.44 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.88 3hkw h PHE 430 CO 0.00 0.89 -0.06 1.03 -1.61 0.00 0.00 178.31 178.57 3hkw h SER 431 N 0.33 -0.17 -0.26 2.17 0.87 -1.07 -1.33 113.55 114.09 3hkw h SER 431 Ca 0.00 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3hkw h SER 431 Cb 1.08 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3hkw h SER 431 CO 0.10 -0.08 0.11 0.58 -0.53 0.00 0.00 176.83 177.01 3hkw h VAL 432 N -0.07 1.16 -0.85 2.23 2.07 -0.87 -1.37 116.25 118.54 3hkw h VAL 432 Ca 0.04 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hkw h VAL 432 Cb 0.13 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3hkw h VAL 432 CO -0.10 0.16 0.53 -0.07 0.02 0.00 0.00 177.57 178.11 3hkw h LEU 433 N 0.27 1.01 -0.21 2.57 4.07 -0.87 -0.69 115.31 121.45 3hkw h LEU 433 Ca 0.09 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 3hkw h LEU 433 Cb 0.16 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 3hkw h LEU 433 CO -0.01 0.76 -0.12 0.40 -1.08 0.00 0.00 178.44 178.39 3hkw h ILE 434 N 1.17 1.31 -0.32 1.22 2.04 -1.04 0.11 117.51 122.00 3hkw h ILE 434 Ca 0.31 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 3hkw h ILE 434 Cb -0.08 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3hkw h ILE 434 CO -0.06 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.46 3hkw h ALA 435 N 0.69 1.42 -0.30 1.87 0.00 -0.99 -2.67 119.26 119.29 3hkw h ALA 435 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hkw h ALA 435 Cb 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hkw h ALA 435 CO 0.04 0.41 0.00 0.54 0.00 0.00 0.00 179.25 180.23 3hkw n ARG 436 N -4.30 2.24 -3.61 0.00 1.74 -0.29 -4.96 116.66 107.48 3hkw n ARG 436 Ca 0.01 -1.87 -0.21 0.00 -0.77 0.00 0.00 57.85 55.02 3hkw n ARG 436 Cb 0.23 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3hkw n ARG 436 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hkw n ASP 437 N 1.10 -2.40 -0.13 0.55 9.92 -0.76 -4.92 116.55 119.91 3hkw n ASP 437 Ca 0.18 -0.71 0.05 0.00 -0.53 0.00 0.00 54.79 53.78 3hkw n ASP 437 Cb 0.51 -4.56 0.06 0.00 -0.64 0.00 0.00 41.12 36.50 3hkw n ASP 437 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hkw n GLN 438 N -4.34 1.32 -0.14 -1.24 6.02 0.29 -4.80 117.38 114.50 3hkw n GLN 438 Ca -0.23 -1.79 0.10 0.00 -0.01 0.00 0.00 57.00 55.06 3hkw n GLN 438 Cb 0.65 -1.08 0.43 0.00 1.02 0.00 0.00 30.24 31.26 3hkw n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hkw h LEU 439 N 0.00 0.51 -1.00 1.08 3.38 -1.91 -2.06 115.31 115.32 3hkw h LEU 439 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hkw h LEU 439 Cb 0.95 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hkw h LEU 439 CO 0.00 0.31 0.00 -0.62 0.09 0.00 0.00 178.44 178.22 3hkw n GLU 440 N -4.48 1.68 -3.18 1.13 1.02 -1.26 -4.32 120.64 111.22 3hkw n GLU 440 Ca 0.11 -0.99 -0.39 0.00 -0.02 0.00 0.00 57.16 55.86 3hkw n GLU 440 Cb 0.32 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 3hkw n GLU 440 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hkw s GLN 441 N -1.99 4.37 0.45 3.49 2.00 -0.78 -4.99 119.66 122.21 3hkw s GLN 441 Ca 0.38 0.64 -0.22 0.00 -2.00 0.00 0.00 55.36 54.15 3hkw s GLN 441 Cb 0.21 -3.46 -0.08 0.00 0.80 0.00 0.00 33.01 30.48 3hkw s GLN 441 CO 0.33 0.08 1.08 0.00 -0.50 0.00 0.00 175.29 176.28 3hkw s ALA 442 N 0.84 2.97 0.06 1.58 0.00 -1.26 -4.43 121.76 121.52 3hkw s ALA 442 Ca 0.31 0.75 0.05 0.00 0.00 0.00 0.00 51.96 53.06 3hkw s ALA 442 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3hkw s ALA 442 CO 0.13 -0.40 -0.13 -0.51 0.00 0.00 0.00 175.76 174.85 3hkw s LEU 443 N -3.05 2.25 0.16 0.00 1.43 0.04 -4.89 118.68 114.63 3hkw s LEU 443 Ca 0.63 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 3hkw s LEU 443 Cb -0.22 -0.49 -0.08 0.00 0.03 0.00 0.00 46.19 45.43 3hkw s LEU 443 CO 0.27 -0.07 0.84 -1.81 0.23 0.00 0.00 176.35 175.81 3hkw s ASP 444 N -1.60 7.44 0.31 2.29 1.01 -1.26 -0.35 116.67 124.52 3hkw s ASP 444 Ca -0.02 1.71 -0.10 0.00 0.71 0.00 0.00 52.55 54.84 3hkw s ASP 444 Cb -0.10 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.31 3hkw s ASP 444 CO 0.02 0.14 0.56 0.00 0.21 0.00 0.00 175.17 176.09 3hkw s GLU 446 N -3.32 1.98 -0.12 0.00 2.02 -1.26 -0.35 118.70 117.64 3hkw s GLU 446 Ca 0.23 -1.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 3hkw s GLU 446 Cb -0.02 -2.09 0.03 0.00 0.10 0.00 0.00 34.13 32.16 3hkw s GLU 446 CO 0.13 0.53 -0.04 0.42 0.02 0.00 0.00 175.26 176.33 3hkw s ILE 447 N -0.82 0.81 -1.63 -1.63 1.01 -0.20 -4.64 121.20 114.10 3hkw s ILE 447 Ca 0.13 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 3hkw s ILE 447 Cb -0.10 -0.97 0.12 0.00 0.01 0.00 0.00 42.46 41.52 3hkw s ILE 447 CO 0.03 0.21 0.68 -1.22 0.00 0.00 0.00 174.94 174.64 3hkw n TYR 448 N 4.99 -1.71 0.00 3.97 4.01 -1.26 -2.20 117.16 124.96 3hkw n TYR 448 Ca -0.10 0.78 0.00 0.00 -0.16 0.00 0.00 57.90 58.42 3hkw n TYR 448 Cb 0.49 -3.12 0.00 0.00 -0.31 0.00 0.00 39.34 36.40 3hkw n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hkw n GLY 449 N -1.58 2.67 3.84 2.72 0.00 -1.26 -1.14 105.19 110.44 3hkw n GLY 449 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3hkw n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw s ALA 450 N -2.10 3.50 -0.04 4.61 0.00 -0.94 -4.19 121.76 122.61 3hkw s ALA 450 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 3hkw s ALA 450 Cb 0.00 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 3hkw s ALA 450 CO 0.00 0.40 0.52 0.00 0.00 0.00 0.00 175.76 176.69 3hkw s TYR 452 N -0.08 1.58 -0.40 0.00 1.51 0.53 -0.83 117.35 119.65 3hkw s TYR 452 Ca 0.28 -0.37 -0.17 0.00 -1.01 0.00 0.00 57.07 55.80 3hkw s TYR 452 Cb -0.17 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 3hkw s TYR 452 CO 0.14 0.08 0.41 0.45 -1.11 0.00 0.00 175.55 175.52 3hkw s SER 453 N -1.24 6.18 -0.06 2.29 0.15 -1.26 -1.16 113.70 118.60 3hkw s SER 453 Ca 0.05 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.17 3hkw s SER 453 Cb -0.09 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 3hkw s SER 453 CO 0.02 -0.51 -0.24 -0.63 1.20 0.00 0.00 173.24 173.08 3hkw s ILE 454 N 2.07 2.17 -0.26 6.45 -1.09 0.53 -4.86 121.20 126.22 3hkw s ILE 454 Ca 0.11 -1.02 -0.24 0.00 -2.23 0.00 0.00 60.65 57.27 3hkw s ILE 454 Cb -0.17 -1.80 -0.00 0.00 -1.58 0.00 0.00 42.46 38.91 3hkw s ILE 454 CO 0.13 0.57 0.83 -1.61 -1.23 0.00 0.00 174.94 173.62 3hkw s GLU 455 N -0.13 4.13 0.54 2.79 2.02 -1.26 -0.78 118.70 126.00 3hkw s GLU 455 Ca -0.04 0.86 0.28 0.00 0.02 0.00 0.00 54.97 56.09 3hkw s GLU 455 Cb -0.14 -3.67 1.44 0.00 0.10 0.00 0.00 34.13 31.87 3hkw s GLU 455 CO 0.04 -0.57 1.95 -1.35 0.02 0.00 0.00 175.26 175.36 3hkw h PRO 456 N 7.80 0.00 0.00 0.39 0.11 -1.81 0.29 132.00 138.78 3hkw h PRO 456 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3hkw h PRO 456 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hkw h PRO 456 CO 0.88 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 3hkw n LEU 457 N -4.25 0.62 -0.67 2.35 4.77 -1.26 -1.70 117.00 116.86 3hkw n LEU 457 Ca 0.12 0.70 0.09 0.00 -0.03 0.00 0.00 56.01 56.89 3hkw n LEU 457 Cb 0.72 -0.66 0.28 0.00 -2.33 0.00 0.00 43.42 41.43 3hkw n LEU 457 CO 0.36 -0.70 0.72 0.47 -1.33 0.00 0.00 177.39 176.91 3hkw n ASP 458 N -2.24 2.00 -0.10 -1.43 8.00 0.09 -4.51 116.55 118.36 3hkw n ASP 458 Ca 0.01 -1.85 -0.08 0.00 0.71 0.00 0.00 54.79 53.58 3hkw n ASP 458 Cb 0.16 -0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3hkw n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hkw h LEU 459 N 2.44 0.29 0.01 0.64 3.38 -1.45 -2.50 115.31 118.12 3hkw h LEU 459 Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hkw h LEU 459 Cb 0.54 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3hkw h LEU 459 CO 0.00 0.22 -0.18 -0.65 0.09 0.00 0.00 178.44 177.91 3hkw h PRO 460 N 0.38 -0.29 -0.25 1.13 0.11 -1.83 0.84 132.00 132.08 3hkw h PRO 460 Ca 0.14 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 3hkw h PRO 460 Cb 0.02 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3hkw h PRO 460 CO -0.07 -0.19 -0.10 -1.00 -0.21 0.00 0.00 178.00 176.42 3hkw h PRO 461 N -0.30 0.41 -0.24 1.05 0.13 -1.89 -0.70 132.00 130.46 3hkw h PRO 461 Ca 0.05 -0.10 0.02 0.00 -0.87 0.00 0.00 66.00 65.10 3hkw h PRO 461 Cb 0.37 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 3hkw h PRO 461 CO -0.17 0.52 0.10 0.82 -0.23 0.00 0.00 178.00 179.04 3hkw h ILE 462 N 0.39 0.97 -0.70 -3.56 2.04 -1.03 -1.52 117.51 114.10 3hkw h ILE 462 Ca 0.08 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 3hkw h ILE 462 Cb 0.42 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3hkw h ILE 462 CO 0.02 0.04 0.17 0.40 0.00 0.00 0.00 178.15 178.78 3hkw h ILE 463 N 0.22 1.26 -0.32 -0.67 2.04 -0.50 -0.84 117.51 118.70 3hkw h ILE 463 Ca 0.10 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.02 3hkw h ILE 463 Cb 0.05 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3hkw h ILE 463 CO -0.08 0.37 0.15 -0.61 0.00 0.00 0.00 178.15 177.97 3hkw h GLN 464 N 1.06 0.30 -0.73 2.37 4.15 -0.90 0.67 115.11 122.03 3hkw h GLN 464 Ca 0.22 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 3hkw h GLN 464 Cb 0.37 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 3hkw h GLN 464 CO 0.00 0.20 0.21 0.00 -1.93 0.00 0.00 178.83 177.31 3hkw h ARG 465 N 0.31 1.14 0.00 1.69 2.47 -0.89 0.14 114.38 119.23 3hkw h ARG 465 Ca 0.14 -0.26 -0.19 0.00 -1.26 0.00 0.00 59.98 58.41 3hkw h ARG 465 Cb 0.07 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 3hkw h ARG 465 CO -0.11 0.98 -1.00 -0.07 0.56 0.00 0.00 179.97 180.33 3hkw h LEU 466 N 1.08 0.00 0.00 3.04 4.07 -0.85 -3.41 115.31 119.24 3hkw h LEU 466 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3hkw h LEU 466 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 3hkw h LEU 466 CO -0.00 0.84 -0.26 1.41 -1.08 0.00 0.00 178.44 179.35 3hkw n HIS 467 N -3.24 0.00 0.00 1.13 8.25 0.20 -1.46 115.22 120.09 3hkw n HIS 467 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3hkw n HIS 467 Cb 0.89 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.00 3hkw n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkw n GLY 468 N 0.90 -0.29 0.28 -1.41 0.00 0.47 -4.49 105.19 100.66 3hkw n GLY 468 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.47 3hkw n GLY 468 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hkw h LEU 469 N 0.00 0.00 -2.56 0.99 5.85 -1.88 -2.40 115.31 115.31 3hkw h LEU 469 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hkw h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hkw h LEU 469 CO 0.00 0.02 -0.01 0.77 -0.34 0.00 0.00 178.44 178.88 3hkw h SER 470 N 0.00 0.00 -0.10 1.25 4.64 -1.96 -2.40 113.55 114.98 3hkw h SER 470 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3hkw h SER 470 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hkw h SER 470 CO 0.00 0.01 0.22 0.00 -0.87 0.00 0.00 176.83 176.19 3hkw h ALA 471 N 1.99 1.50 -0.02 5.18 0.00 -1.65 0.41 119.26 126.66 3hkw h ALA 471 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hkw h ALA 471 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hkw h ALA 471 CO 0.00 -0.27 -0.01 1.19 0.00 0.00 0.00 179.25 180.17 3hkw n PHE 472 N -3.34 0.00 -0.42 0.00 3.72 -0.90 -4.38 117.46 112.14 3hkw n PHE 472 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3hkw n PHE 472 Cb 0.31 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3hkw n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hkw n SER 473 N 0.93 0.82 -4.76 4.37 7.64 0.09 -4.53 113.62 118.17 3hkw n SER 473 Ca 0.16 -1.24 -0.37 0.00 1.01 0.00 0.00 58.87 58.42 3hkw n SER 473 Cb 0.51 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.72 3hkw n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hkw s LEU 474 N -0.24 3.96 0.00 -3.43 1.43 -0.93 -4.13 118.68 115.33 3hkw s LEU 474 Ca 0.00 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 3hkw s LEU 474 Cb 0.00 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.01 3hkw s LEU 474 CO 0.00 -1.14 0.71 0.00 0.23 0.00 0.00 176.35 176.15 3hkw n HIS 475 N -0.68 -2.16 -3.55 0.29 1.44 0.02 -4.95 115.22 105.64 3hkw n HIS 475 Ca 0.08 -1.91 -0.25 0.00 -2.01 0.00 0.00 57.72 53.63 3hkw n HIS 475 Cb 0.47 0.83 0.05 0.00 0.12 0.00 0.00 29.99 31.46 3hkw n HIS 475 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3hkw n SER 476 N -1.54 -5.14 -4.74 4.39 2.88 -1.26 -0.87 113.62 107.34 3hkw n SER 476 Ca -0.07 -0.90 -0.29 0.00 -1.33 0.00 0.00 58.87 56.28 3hkw n SER 476 Cb 0.58 -4.03 0.14 0.00 -0.75 0.00 0.00 64.21 60.15 3hkw n SER 476 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3hkw s TYR 477 N -3.47 2.39 0.47 0.66 1.51 -1.26 -4.02 117.35 113.63 3hkw s TYR 477 Ca 0.40 0.99 -0.20 0.00 -1.01 0.00 0.00 57.07 57.26 3hkw s TYR 477 Cb -0.11 -3.28 -0.09 0.00 -0.11 0.00 0.00 41.96 38.37 3hkw s TYR 477 CO 0.82 -2.47 0.99 -1.54 -1.11 0.00 0.00 175.55 172.24 3hkw s SER 478 N -3.74 6.59 0.24 2.29 1.04 -1.19 -4.87 113.70 114.05 3hkw s SER 478 Ca 0.64 1.77 -0.05 0.00 0.48 0.00 0.00 55.95 58.78 3hkw s SER 478 Cb -0.16 -2.54 0.39 0.00 0.10 0.00 0.00 66.02 63.81 3hkw s SER 478 CO 0.55 -0.60 1.77 -0.65 0.98 0.00 0.00 173.24 175.28 3hkw h PRO 479 N 1.53 0.56 -0.60 4.02 0.11 -1.94 -0.82 132.00 134.86 3hkw h PRO 479 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3hkw h PRO 479 Cb 1.20 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3hkw h PRO 479 CO 0.60 0.37 0.33 0.78 -0.21 0.00 0.00 178.00 179.87 3hkw h GLY 480 N 0.57 0.90 0.85 -0.55 0.00 -1.99 -0.47 103.07 102.38 3hkw h GLY 480 Ca 0.38 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3hkw h GLY 480 CO -0.31 0.39 0.01 -2.09 0.00 0.00 0.00 176.54 174.54 3hkw h GLU 481 N 0.82 0.42 -0.66 4.80 4.57 -1.81 -1.08 114.58 121.63 3hkw h GLU 481 Ca 0.21 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3hkw h GLU 481 Cb 0.05 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 3hkw h GLU 481 CO -0.03 0.58 0.38 0.82 -1.18 0.00 0.00 179.01 179.58 3hkw h ILE 482 N 0.20 1.00 -0.64 2.32 2.04 -0.96 -1.40 117.51 120.07 3hkw h ILE 482 Ca 0.07 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 3hkw h ILE 482 Cb 0.39 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3hkw h ILE 482 CO 0.01 0.13 0.07 0.78 0.00 0.00 0.00 178.15 179.14 3hkw h ASN 483 N 0.71 1.06 -0.50 1.72 -0.26 -0.94 -0.36 115.58 117.01 3hkw h ASN 483 Ca 0.29 -0.28 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 3hkw h ASN 483 Cb 0.14 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 3hkw h ASN 483 CO -0.16 1.07 0.00 -0.09 -1.06 0.00 0.00 177.43 177.19 3hkw h ARG 484 N 1.01 0.89 -0.27 0.81 2.43 -0.73 0.02 114.38 118.52 3hkw h ARG 484 Ca 0.19 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3hkw h ARG 484 Cb 0.48 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3hkw h ARG 484 CO 0.02 0.92 0.10 0.28 -1.51 0.00 0.00 179.97 179.77 3hkw h VAL 485 N 0.75 1.19 -0.63 0.20 2.07 -1.14 -1.77 116.25 116.92 3hkw h VAL 485 Ca 0.14 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.15 3hkw h VAL 485 Cb 0.52 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3hkw h VAL 485 CO 0.03 0.19 0.31 0.00 0.02 0.00 0.00 177.57 178.12 3hkw h ALA 486 N 0.94 0.83 -0.65 1.67 0.00 -0.82 -1.10 119.26 120.12 3hkw h ALA 486 Ca 0.09 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hkw h ALA 486 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3hkw h ALA 486 CO -0.01 -0.06 0.09 0.00 0.00 0.00 0.00 179.25 179.28 3hkw h ALA 487 N 1.36 0.92 -0.27 0.00 0.00 -0.84 -2.08 119.26 118.35 3hkw h ALA 487 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hkw h ALA 487 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hkw h ALA 487 CO -0.22 0.66 0.12 0.00 0.00 0.00 0.00 179.25 179.81 3hkw h LEU 489 N 0.30 0.69 -0.37 0.00 3.38 -0.98 -1.17 115.31 117.15 3hkw h LEU 489 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hkw h LEU 489 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3hkw h LEU 489 CO -0.01 0.50 0.23 0.03 0.09 0.00 0.00 178.44 179.28 3hkw h ARG 490 N 0.82 0.50 -0.41 1.13 3.08 -1.35 0.11 114.38 118.25 3hkw h ARG 490 Ca 0.22 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.28 3hkw h ARG 490 Cb -0.09 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.81 3hkw h ARG 490 CO -0.05 0.36 0.15 -0.22 -1.07 0.00 0.00 179.97 179.15 3hkw h LYS 491 N 0.49 0.31 -0.01 0.04 3.64 -0.79 -2.99 116.57 117.26 3hkw h LYS 491 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3hkw h LYS 491 Cb -0.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3hkw h LYS 491 CO -0.03 0.20 -0.21 1.28 -2.27 0.00 0.00 179.45 178.43 3hkw n LEU 492 N -5.00 1.25 -2.50 5.20 4.77 -0.49 -4.93 117.00 115.30 3hkw n LEU 492 Ca 0.03 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.51 3hkw n LEU 492 Cb 0.15 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3hkw n LEU 492 CO 0.27 0.23 0.12 0.61 -1.33 0.00 0.00 177.39 177.28 3hkw n GLY 493 N 1.31 -0.03 3.77 -0.72 0.00 -0.45 -1.98 105.19 107.10 3hkw n GLY 493 Ca 0.13 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3hkw n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkw s VAL 494 N -3.22 5.10 0.63 1.61 1.01 0.25 -0.24 120.40 125.54 3hkw s VAL 494 Ca 0.19 0.89 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 3hkw s VAL 494 Cb -0.09 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3hkw s VAL 494 CO 0.46 0.45 0.88 -2.65 0.00 0.00 0.00 175.10 174.24 3hkw n PRO 495 N 2.78 0.74 -1.29 2.72 -0.02 -1.26 -4.64 135.00 134.02 3hkw n PRO 495 Ca -0.10 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 3hkw n PRO 495 Cb 0.52 -2.09 0.11 0.00 -0.02 0.00 0.00 33.50 32.01 3hkw n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hkw s PRO 496 N -2.76 1.85 0.51 0.52 0.04 -1.26 -4.82 135.00 129.07 3hkw s PRO 496 Ca 0.75 0.94 0.24 0.00 0.04 0.00 0.00 61.00 62.97 3hkw s PRO 496 Cb -0.40 -1.87 1.35 0.00 0.04 0.00 0.00 34.50 33.62 3hkw s PRO 496 CO 0.48 -1.86 1.98 -0.07 0.04 0.00 0.00 177.00 177.57 3hkw h LEU 497 N -1.28 0.06 -0.66 -3.56 3.38 -1.99 -1.30 115.31 109.97 3hkw h LEU 497 Ca -0.47 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.56 3hkw h LEU 497 Cb 1.26 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 3hkw h LEU 497 CO 0.54 0.03 0.38 0.03 0.09 0.00 0.00 178.44 179.51 3hkw h ARG 498 N 0.07 0.69 -0.58 1.13 -0.00 -2.01 -1.73 114.38 111.95 3hkw h ARG 498 Ca 0.28 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.98 59.68 3hkw h ARG 498 Cb 1.02 -0.16 -0.03 0.00 0.00 0.00 0.00 29.97 30.81 3hkw h ARG 498 CO -0.02 0.46 0.20 0.00 0.00 0.00 0.00 179.97 180.60 3hkw h ALA 499 N 1.33 1.26 -0.41 0.04 0.00 -1.58 -2.42 119.26 117.49 3hkw h ALA 499 Ca 0.29 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hkw h ALA 499 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hkw h ALA 499 CO -0.16 0.53 -0.12 -1.49 0.00 0.00 0.00 179.25 178.01 3hkw h TRP 500 N 0.84 0.80 -0.70 0.00 4.06 -1.30 -2.46 115.95 117.19 3hkw h TRP 500 Ca 0.19 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 61.00 3hkw h TRP 500 Cb 0.22 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 3hkw h TRP 500 CO 0.01 0.81 0.43 -0.09 -3.56 0.00 0.00 178.44 176.04 3hkw h ARG 501 N 0.66 0.95 -0.05 0.49 2.43 -0.85 0.46 114.38 118.46 3hkw h ARG 501 Ca 0.11 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hkw h ARG 501 Cb 0.58 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3hkw h ARG 501 CO 0.04 0.66 -0.09 1.25 -1.51 0.00 0.00 179.97 180.32 3hkw h HIS 502 N 0.95 -0.23 -0.57 2.20 2.76 -1.26 -1.51 115.15 117.49 3hkw h HIS 502 Ca 0.25 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 3hkw h HIS 502 Cb -0.04 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 3hkw h HIS 502 CO -0.01 -0.14 0.31 0.00 -1.30 0.00 0.00 177.93 176.78 3hkw h ARG 503 N -0.14 0.79 -0.69 5.26 3.08 -1.21 -2.78 114.38 118.68 3hkw h ARG 503 Ca 0.05 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3hkw h ARG 503 Cb 0.21 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3hkw h ARG 503 CO -0.13 0.61 0.46 0.00 -1.07 0.00 0.00 179.97 179.84 3hkw h ALA 504 N 1.14 1.51 -0.73 0.04 0.00 -0.64 0.13 119.26 120.72 3hkw h ALA 504 Ca 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hkw h ALA 504 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3hkw h ALA 504 CO -0.03 0.45 0.25 0.00 0.00 0.00 0.00 179.25 179.92 3hkw h ARG 505 N 0.93 1.12 0.37 0.00 3.08 -1.02 0.42 114.38 119.28 3hkw h ARG 505 Ca 0.26 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3hkw h ARG 505 Cb -0.10 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.79 3hkw h ARG 505 CO -0.06 0.94 -0.18 1.03 -1.07 0.00 0.00 179.97 180.64 3hkw h SER 506 N 1.07 -0.42 -0.51 7.04 0.87 -1.07 -2.38 113.55 118.15 3hkw h SER 506 Ca 0.24 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 3hkw h SER 506 Cb 0.28 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 3hkw h SER 506 CO -0.01 -0.19 0.26 0.58 -0.53 0.00 0.00 176.83 176.94 3hkw h VAL 507 N -0.63 0.96 -0.42 2.23 2.07 -0.62 -2.24 116.25 117.60 3hkw h VAL 507 Ca -0.05 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3hkw h VAL 507 Cb 0.46 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 3hkw h VAL 507 CO 0.08 0.09 0.07 -0.09 0.02 0.00 0.00 177.57 177.75 3hkw h ARG 508 N 0.51 0.19 -0.71 1.57 2.43 -0.16 -1.11 114.38 117.10 3hkw h ARG 508 Ca 0.22 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3hkw h ARG 508 Cb 0.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3hkw h ARG 508 CO -0.15 0.13 0.42 0.00 -1.51 0.00 0.00 179.97 178.85 3hkw h ALA 509 N 1.33 0.91 -0.76 2.80 0.00 -0.99 -0.85 119.26 121.70 3hkw h ALA 509 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hkw h ALA 509 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hkw h ALA 509 CO -0.28 0.39 0.38 0.87 0.00 0.00 0.00 179.25 180.61 3hkw h LYS 510 N 0.97 1.08 -0.33 0.00 1.57 -0.93 -1.53 116.57 117.41 3hkw h LYS 510 Ca 0.25 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3hkw h LYS 510 Cb -0.02 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3hkw h LYS 510 CO -0.05 0.83 0.06 -0.07 -0.57 0.00 0.00 179.45 179.65 3hkw h LEU 511 N 1.06 0.53 -0.69 2.94 3.38 -0.81 -3.03 115.31 118.69 3hkw h LEU 511 Ca 0.26 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hkw h LEU 511 Cb 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3hkw h LEU 511 CO -0.04 0.65 0.45 -0.07 0.09 0.00 0.00 178.44 179.53 3hkw h LEU 512 N 0.38 0.79 -1.99 1.67 3.38 -0.98 -2.43 115.31 116.13 3hkw h LEU 512 Ca 0.10 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hkw h LEU 512 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hkw h LEU 512 CO 0.01 0.58 0.09 0.77 0.09 0.00 0.00 178.44 179.97 3hkw h SER 513 N 0.93 0.02 1.51 -0.43 4.64 -1.20 -1.89 113.55 117.13 3hkw h SER 513 Ca 0.25 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3hkw h SER 513 Cb -0.10 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3hkw h SER 513 CO -0.05 0.01 0.00 0.03 -0.87 0.00 0.00 176.83 175.95 3hkw h ARG 514 N 0.02 0.00 0.00 4.77 3.08 -1.33 -3.50 114.38 117.42 3hkw h ARG 514 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hkw h ARG 514 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3hkw h ARG 514 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3hkw n GLY 515 N 1.17 -1.21 7.00 0.04 0.00 -0.71 -4.80 105.19 106.68 3hkw n GLY 515 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3hkw n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 516 N 0.00 2.35 0.28 -0.02 0.00 -1.26 -1.70 105.19 104.84 3hkw n GLY 516 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.65 3hkw n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hkw h ARG 517 N 0.00 0.50 -0.65 1.61 3.08 -1.91 -2.60 114.38 114.40 3hkw h ARG 517 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3hkw h ARG 517 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3hkw h ARG 517 CO 0.00 0.49 0.41 0.00 -1.07 0.00 0.00 179.97 179.79 3hkw h ALA 518 N 1.58 0.83 -0.39 0.04 0.00 -1.75 -0.84 119.26 118.72 3hkw h ALA 518 Ca 0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3hkw h ALA 518 Cb 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hkw h ALA 518 CO 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 179.25 179.42 3hkw h ALA 519 N 1.21 1.06 -0.90 0.00 0.00 -0.92 -0.62 119.26 119.10 3hkw h ALA 519 Ca 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hkw h ALA 519 Cb -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3hkw h ALA 519 CO -0.05 0.57 0.49 0.82 0.00 0.00 0.00 179.25 181.08 3hkw h ILE 520 N 0.63 1.26 -0.24 0.00 2.04 -1.16 0.15 117.51 120.19 3hkw h ILE 520 Ca 0.11 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3hkw h ILE 520 Cb 0.57 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3hkw h ILE 520 CO 0.04 0.29 0.10 0.00 0.00 0.00 0.00 178.15 178.58 3hkw h GLY 522 N 0.22 0.49 0.72 0.00 0.00 -0.52 -0.48 103.07 103.51 3hkw h GLY 522 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3hkw h GLY 522 CO -0.10 0.08 -0.08 1.70 0.00 0.00 0.00 176.54 178.14 3hkw h LYS 523 N 0.35 -0.22 0.03 4.80 3.64 -0.53 -3.07 116.57 121.57 3hkw h LYS 523 Ca 0.16 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 3hkw h LYS 523 Cb 0.09 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hkw h LYS 523 CO -0.13 0.07 -0.66 1.88 -2.27 0.00 0.00 179.45 178.34 3hkw h TYR 524 N -0.51 0.11 0.00 1.91 -1.99 -1.18 -3.02 116.97 112.29 3hkw h TYR 524 Ca -0.02 -0.08 -0.07 0.00 2.00 0.00 0.00 58.73 60.55 3hkw h TYR 524 Cb 0.39 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 3hkw h TYR 524 CO 0.02 1.26 -0.35 -0.07 -0.00 0.00 0.00 178.16 179.02 3hkw h LEU 525 N -0.85 0.00 -2.98 3.88 3.38 -1.24 -3.27 115.31 114.23 3hkw h LEU 525 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3hkw h LEU 525 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hkw h LEU 525 CO -0.04 0.35 -0.01 0.49 0.09 0.00 0.00 178.44 179.31 3hkw n PHE 526 N -3.83 0.00 0.18 1.13 3.72 -1.16 -4.62 117.46 112.88 3hkw n PHE 526 Ca -0.01 -0.95 0.12 0.00 -0.05 0.00 0.00 57.45 56.56 3hkw n PHE 526 Cb 0.42 -0.14 0.67 0.00 -0.94 0.00 0.00 39.48 39.49 3hkw n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3hkw h ASN 527 N 0.00 0.00 0.07 4.37 -1.24 -1.58 -1.63 115.58 115.57 3hkw h ASN 527 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3hkw h ASN 527 Cb 0.98 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.02 3hkw h ASN 527 CO 0.00 0.00 -0.04 4.11 -1.29 0.00 0.00 177.43 180.21 3hkw h TRP 528 N 0.00 0.00 -0.00 0.67 5.08 -1.82 -2.89 115.95 116.99 3hkw h TRP 528 Ca 0.08 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.05 3hkw h TRP 528 Cb 0.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 3hkw h TRP 528 CO 0.00 0.04 -0.19 0.00 -1.28 0.00 0.00 178.44 177.00 3hkw n ALA 529 N -2.38 2.89 -2.38 0.11 0.00 -0.61 -4.85 120.51 113.28 3hkw n ALA 529 Ca -0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 52.84 3hkw n ALA 529 Cb 0.12 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 3hkw n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hkw s VAL 530 N -2.70 2.35 0.01 0.00 -7.23 -1.09 -4.81 120.40 106.92 3hkw s VAL 530 Ca 0.21 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.88 3hkw s VAL 530 Cb 0.19 -1.94 -0.33 0.00 0.56 0.00 0.00 36.38 34.86 3hkw s VAL 530 CO 0.54 0.35 1.00 -0.09 -0.31 0.00 0.00 175.10 176.59 3hkw h ARG 531 N 4.70 0.49 -5.68 4.82 1.12 -1.89 -3.37 114.38 114.56 3hkw h ARG 531 Ca -0.47 -0.77 -0.50 0.00 -1.11 0.00 0.00 59.98 57.13 3hkw h ARG 531 Cb 1.15 0.28 -0.06 0.00 -0.01 0.00 0.00 29.97 31.32 3hkw h ARG 531 CO 0.45 1.36 1.61 0.99 -3.11 0.00 0.00 179.97 181.26 3hkw s THR 532 N -2.66 3.82 0.23 0.20 2.01 -1.26 -4.95 115.64 113.03 3hkw s THR 532 Ca -0.11 -1.37 -0.30 0.00 0.31 0.00 0.00 61.69 60.23 3hkw s THR 532 Cb 0.03 -4.87 -0.09 0.00 0.01 0.00 0.00 72.50 67.59 3hkw s THR 532 CO 0.91 -1.51 0.95 -0.54 -0.69 0.00 0.00 174.62 173.74 3hkw s LYS 533 N 5.39 4.83 0.41 4.92 1.02 -1.26 -5.05 119.74 130.00 3hkw s LYS 533 Ca 0.61 1.50 -0.15 0.00 0.02 0.00 0.00 55.97 57.94 3hkw s LYS 533 Cb 0.01 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.95 3hkw s LYS 533 CO 0.10 0.47 0.84 -0.51 -0.92 0.00 0.00 175.35 175.33 3hkw s LEU 534 N -1.04 3.88 -0.23 3.17 1.02 -1.26 -5.02 118.68 119.20 3hkw s LEU 534 Ca 0.42 1.38 -0.29 0.00 0.02 0.00 0.00 54.13 55.66 3hkw s LEU 534 Cb -0.26 -4.24 -0.01 0.00 0.02 0.00 0.00 46.19 41.70 3hkw s LEU 534 CO 0.32 -0.37 1.27 -0.54 0.02 0.00 0.00 176.35 177.05 3hkw s LYS 535 N -3.49 4.09 -0.66 1.70 1.02 -1.26 -4.98 119.74 116.16 3hkw s LYS 535 Ca 0.56 1.45 -0.17 0.00 0.02 0.00 0.00 55.97 57.84 3hkw s LYS 535 Cb -0.10 -3.81 0.14 0.00 -0.52 0.00 0.00 37.83 33.55 3hkw s LYS 535 CO 0.23 -0.89 0.68 -0.51 -0.92 0.00 0.00 175.35 173.94 3hkw s LEU 536 N 3.88 6.00 0.44 3.17 1.43 -1.26 -5.04 118.68 127.30 3hkw s LEU 536 Ca 0.55 -1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 51.71 3hkw s LEU 536 Cb -0.19 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 3hkw s LEU 536 CO 0.18 -0.88 0.67 0.42 0.23 0.00 0.00 176.35 176.97 3hkw s THR 537 N 1.66 4.33 0.27 5.49 -4.23 -1.26 -5.02 115.64 116.88 3hkw s THR 537 Ca 0.12 -0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 59.95 3hkw s THR 537 Cb -0.21 -3.61 -0.13 0.00 1.34 0.00 0.00 72.50 69.89 3hkw s THR 537 CO 0.00 -0.46 1.43 -2.65 -0.54 0.00 0.00 174.62 172.40 3hkw n PRO 538 N -2.07 2.18 -2.64 3.99 -0.02 -1.26 -4.90 135.00 130.29 3hkw n PRO 538 Ca 0.00 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 3hkw n PRO 538 Cb 0.57 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3hkw n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkw s ILE 539 N -0.21 4.64 0.27 4.25 1.01 -1.26 -4.94 121.20 124.96 3hkw s ILE 539 Ca 0.65 1.98 0.00 0.00 0.00 0.00 0.00 60.65 63.29 3hkw s ILE 539 Cb -0.61 -4.28 0.26 0.00 0.01 0.00 0.00 42.46 37.85 3hkw s ILE 539 CO 0.51 -0.17 1.72 0.00 0.00 0.00 0.00 174.94 177.00 3hkw h ALA 540 N 7.52 1.29 0.00 9.38 0.00 -2.03 -0.98 119.26 134.43 3hkw h ALA 540 Ca -0.20 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hkw h ALA 540 Cb 1.07 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hkw h ALA 540 CO 0.97 -0.25 -0.06 0.00 0.00 0.00 0.00 179.25 179.92 3hkw h ALA 541 N 1.63 1.09 -0.52 0.00 0.00 -2.00 -3.15 119.26 116.32 3hkw h ALA 541 Ca 0.50 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.43 3hkw h ALA 541 Cb 0.85 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3hkw h ALA 541 CO -0.46 0.07 0.20 0.00 0.00 0.00 0.00 179.25 179.05 3hkw h ALA 542 N 1.94 0.65 0.00 0.00 0.00 -1.46 -2.06 119.26 118.34 3hkw h ALA 542 Ca -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hkw h ALA 542 Cb 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hkw h ALA 542 CO 0.01 -0.19 -0.08 0.78 0.00 0.00 0.00 179.25 179.76 3hkw h GLY 543 N 0.39 0.00 1.05 0.00 0.00 -1.70 -3.00 103.07 99.81 3hkw h GLY 543 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3hkw h GLY 543 CO -0.24 0.00 -0.64 -1.06 0.00 0.00 0.00 176.54 174.59 3hkw n GLN 544 N -4.27 0.22 -1.75 4.80 1.13 -0.80 -4.89 117.38 111.81 3hkw n GLN 544 Ca -0.03 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 3hkw n GLN 544 Cb 0.16 -1.62 -0.03 0.00 0.11 0.00 0.00 30.24 28.86 3hkw n GLN 544 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hkw s LEU 545 N -3.86 4.40 -0.80 1.08 1.43 -1.06 -4.94 118.68 114.93 3hkw s LEU 545 Ca 0.07 2.70 -0.22 0.00 -1.03 0.00 0.00 54.13 55.65 3hkw s LEU 545 Cb 0.15 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.88 3hkw s LEU 545 CO 0.72 -0.99 1.12 -0.62 0.23 0.00 0.00 176.35 176.82 3hkw s ASP 546 N 2.82 6.34 -0.31 2.29 2.15 -1.26 -4.83 116.67 123.86 3hkw s ASP 546 Ca 0.80 -1.26 0.10 0.00 0.43 0.00 0.00 52.55 52.63 3hkw s ASP 546 Cb -0.44 -2.46 0.76 0.00 -0.30 0.00 0.00 42.92 40.48 3hkw s ASP 546 CO 0.36 -1.41 1.80 0.18 -0.17 0.00 0.00 175.17 175.93 3hkw n LEU 547 N 7.81 6.04 -4.75 -1.34 4.77 -1.26 -4.97 117.00 123.30 3hkw n LEU 547 Ca 0.10 -3.20 -0.41 0.00 -0.03 0.00 0.00 56.01 52.47 3hkw n LEU 547 Cb 0.48 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 3hkw n LEU 547 CO 0.62 0.79 1.12 -0.94 -1.33 0.00 0.00 177.39 177.65 3hkw s SER 548 N -1.04 6.61 0.00 -1.43 1.04 -1.26 -2.21 113.70 115.40 3hkw s SER 548 Ca 0.55 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.71 3hkw s SER 548 Cb 0.44 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.93 3hkw s SER 548 CO 0.14 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.24 3hkw n GLY 549 N 2.03 1.44 0.17 7.32 0.00 -1.26 -4.92 105.19 109.97 3hkw n GLY 549 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3hkw n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hkw h TRP 550 N 0.00 0.59 -2.14 1.61 4.06 -1.84 -3.36 115.95 114.87 3hkw h TRP 550 Ca 0.00 -0.16 -0.56 0.00 2.06 0.00 0.00 58.89 60.24 3hkw h TRP 550 Cb 0.00 -0.13 -0.41 0.00 -1.00 0.00 0.00 29.16 27.62 3hkw h TRP 550 CO 0.00 0.80 -0.85 1.19 -3.56 0.00 0.00 178.44 176.01 3hkw n PHE 551 N -4.48 2.19 -0.06 0.49 3.72 -1.26 -4.77 117.46 113.30 3hkw n PHE 551 Ca -0.04 -3.91 -0.12 0.00 -0.05 0.00 0.00 57.45 53.32 3hkw n PHE 551 Cb 0.36 -0.46 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 3hkw n PHE 551 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3hkw n THR 552 N 0.44 0.85 -3.88 4.37 -1.04 -1.17 -4.19 114.28 109.66 3hkw n THR 552 Ca 0.27 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.05 62.10 3hkw n THR 552 Cb 0.49 -1.73 -0.06 0.00 -1.82 0.00 0.00 70.33 67.20 3hkw n THR 552 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkw s ALA 553 N -2.28 -0.28 0.18 2.41 0.00 -1.24 -3.97 121.76 116.58 3hkw s ALA 553 Ca -0.17 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 3hkw s ALA 553 Cb 0.06 0.82 -0.07 0.00 0.00 0.00 0.00 23.12 23.93 3hkw s ALA 553 CO 0.23 -0.67 0.53 0.20 0.00 0.00 0.00 175.76 176.04 3hkw s GLY 554 N -2.93 2.35 -0.00 0.00 0.00 -1.26 -4.92 107.32 100.56 3hkw s GLY 554 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.61 3hkw s GLY 554 CO -0.02 -0.05 0.73 -1.72 0.00 0.00 0.00 173.10 172.04 3hkw n TYR 555 N 0.33 0.00 -1.68 1.90 4.01 -0.29 -4.64 117.16 116.79 3hkw n TYR 555 Ca -0.03 -0.01 -0.45 0.00 -0.16 0.00 0.00 57.90 57.25 3hkw n TYR 555 Cb 0.52 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.49 3hkw n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hkw n SER 556 N -0.02 3.27 0.00 7.72 2.88 -1.25 -0.45 113.62 125.78 3hkw n SER 556 Ca 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 3hkw n SER 556 Cb 0.58 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3hkw n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hkw n GLY 557 N 3.55 2.12 0.94 0.46 0.00 -1.26 -4.23 105.19 106.76 3hkw n GLY 557 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3hkw n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 558 N -2.00 1.21 3.22 -0.02 0.00 0.40 -2.99 105.19 105.01 3hkw n GLY 558 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 3hkw n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hkw n ASP 559 N 1.06 -3.91 -4.59 1.61 2.03 -1.26 -4.46 116.55 107.03 3hkw n ASP 559 Ca 0.18 -0.50 -0.34 0.00 0.52 0.00 0.00 54.79 54.65 3hkw n ASP 559 Cb 0.50 -4.48 -0.11 0.00 -0.72 0.00 0.00 41.12 36.31 3hkw n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hkw s ILE 560 N -3.30 3.98 -0.06 5.18 -1.09 -1.26 -4.28 121.20 120.37 3hkw s ILE 560 Ca 0.25 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.35 3hkw s ILE 560 Cb -0.11 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3hkw s ILE 560 CO 0.63 0.57 -0.17 -0.47 -1.23 0.00 0.00 174.94 174.27 3hkw s TYR 561 N -0.46 1.82 -0.10 3.97 5.04 0.12 -1.19 117.35 126.55 3hkw s TYR 561 Ca 0.07 -0.60 0.04 0.00 -2.44 0.00 0.00 57.07 54.14 3hkw s TYR 561 Cb -0.12 -1.24 -0.00 0.00 0.35 0.00 0.00 41.96 40.94 3hkw s TYR 561 CO 0.02 -0.23 -0.22 -1.01 -1.34 0.00 0.00 175.55 172.77 3hkw s HIS 562 N 0.22 2.59 0.00 4.97 3.76 -0.01 -4.47 115.29 122.34 3hkw s HIS 562 Ca -0.09 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 53.89 3hkw s HIS 562 Cb -0.14 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.84 3hkw s HIS 562 CO 0.04 -0.35 0.05 -1.13 -0.85 0.00 0.00 174.74 172.49