#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlm s SER 31 N 0.00 -0.18 0.35 4.04 0.15 -1.26 -5.05 113.70 111.76 3hlm s SER 31 Ca 0.00 -0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.70 3hlm s SER 31 Cb 0.00 0.19 0.67 0.00 -1.71 0.00 0.00 66.02 65.17 3hlm s SER 31 CO 0.00 -0.31 1.90 -0.50 1.20 0.00 0.00 173.24 175.52 3hlm h TRP 32 N 2.00 0.46 -0.10 3.44 4.06 -2.07 -3.28 115.95 120.46 3hlm h TRP 32 Ca -0.12 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.78 3hlm h TRP 32 Cb 1.18 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3hlm h TRP 32 CO 0.28 0.48 0.00 0.91 -3.56 0.00 0.00 178.44 176.55 3hlm n TRP 33 N -4.29 0.32 -0.18 0.49 7.02 -1.26 -4.69 117.44 114.85 3hlm n TRP 33 Ca 0.01 -0.88 0.23 0.00 -1.02 0.00 0.00 57.50 55.84 3hlm n TRP 33 Cb 0.24 -0.18 0.62 0.00 -2.42 0.00 0.00 31.31 29.57 3hlm n TRP 33 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3hlm h THR 34 N 0.67 0.64 -0.02 -0.99 2.02 -1.98 -1.58 112.91 111.67 3hlm h THR 34 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3hlm h THR 34 Cb 1.06 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3hlm h THR 34 CO 0.07 0.03 -0.00 0.00 0.37 0.00 0.00 175.52 175.99 3hlm n HIS 35 N -4.40 0.00 -2.51 3.16 1.44 -1.26 -4.85 115.22 106.80 3hlm n HIS 35 Ca 0.17 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.45 3hlm n HIS 35 Cb 0.78 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.87 3hlm n HIS 35 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3hlm s VAL 36 N -2.00 4.16 0.48 0.61 1.01 -0.60 -5.02 120.40 119.04 3hlm s VAL 36 Ca 0.33 1.24 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 3hlm s VAL 36 Cb 0.21 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 3hlm s VAL 36 CO 0.32 -0.76 0.97 -1.61 0.00 0.00 0.00 175.10 174.02 3hlm s GLU 37 N 4.40 4.07 0.18 2.72 2.02 -1.26 -5.00 118.70 125.83 3hlm s GLU 37 Ca 0.52 1.03 -0.33 0.00 0.02 0.00 0.00 54.97 56.22 3hlm s GLU 37 Cb -0.11 -2.15 -0.13 0.00 0.10 0.00 0.00 34.13 31.83 3hlm s GLU 37 CO 0.28 -0.17 1.63 -0.12 0.02 0.00 0.00 175.26 176.90 3hlm n MET 38 N -1.15 2.36 -1.18 1.61 0.00 -1.26 -4.98 117.12 112.53 3hlm n MET 38 Ca 0.07 0.85 -0.30 0.00 -0.00 0.00 0.00 57.70 58.32 3hlm n MET 38 Cb 0.54 -2.65 0.13 0.00 0.00 0.00 0.00 33.22 31.24 3hlm n MET 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3hlm s GLY 39 N 1.01 1.64 0.61 -5.12 0.00 -1.26 -5.01 107.32 99.19 3hlm s GLY 39 Ca 0.78 0.06 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 3hlm s GLY 39 CO 0.36 0.51 1.11 2.56 0.00 0.00 0.00 173.10 177.65 3hlm s PRO 40 N -4.90 3.05 0.38 2.90 0.04 -1.26 -5.00 135.00 130.21 3hlm s PRO 40 Ca 0.63 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 3hlm s PRO 40 Cb -0.18 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 3hlm s PRO 40 CO 0.57 -1.06 1.49 -1.25 0.04 0.00 0.00 177.00 176.79 3hlm s PRO 41 N -3.78 4.10 -0.38 0.56 0.04 -1.26 -4.95 135.00 129.33 3hlm s PRO 41 Ca 0.69 2.58 -0.29 0.00 0.04 0.00 0.00 61.00 64.02 3hlm s PRO 41 Cb -0.21 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.37 3hlm s PRO 41 CO 0.35 -0.54 1.37 0.34 0.04 0.00 0.00 177.00 178.56 3hlm s ASP 42 N -0.13 6.44 0.17 6.66 2.15 -1.26 -4.92 116.67 125.78 3hlm s ASP 42 Ca 0.53 0.91 -0.14 0.00 0.43 0.00 0.00 52.55 54.28 3hlm s ASP 42 Cb -0.47 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 39.70 3hlm s ASP 42 CO 0.63 -1.33 1.81 1.55 -0.17 0.00 0.00 175.17 177.66 3hlm h PRO 43 N 10.27 0.58 -0.50 4.34 0.14 -2.00 -2.17 132.00 142.65 3hlm h PRO 43 Ca -0.27 -0.03 -0.02 0.00 0.14 0.00 0.00 66.00 65.81 3hlm h PRO 43 Cb 1.10 -0.13 -0.02 0.00 0.14 0.00 0.00 31.00 32.09 3hlm h PRO 43 CO 1.07 0.38 0.23 0.82 0.14 0.00 0.00 178.00 180.65 3hlm h ILE 44 N 0.59 1.20 -0.88 -3.56 2.04 -1.97 -1.36 117.51 113.56 3hlm h ILE 44 Ca 0.20 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.55 3hlm h ILE 44 Cb 0.01 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 3hlm h ILE 44 CO -0.09 0.22 0.57 0.25 0.00 0.00 0.00 178.15 179.11 3hlm h LEU 45 N 0.66 0.87 -0.15 1.44 5.85 -1.92 -2.23 115.31 119.82 3hlm h LEU 45 Ca 0.17 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hlm h LEU 45 Cb 0.14 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3hlm h LEU 45 CO -0.02 0.55 0.09 1.23 -0.34 0.00 0.00 178.44 179.95 3hlm h GLY 46 N 0.98 0.22 0.58 3.75 0.00 -0.61 0.11 103.07 108.10 3hlm h GLY 46 Ca 0.38 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.66 3hlm h GLY 46 CO -0.14 0.09 -0.03 -2.08 0.00 0.00 0.00 176.54 174.37 3hlm h VAL 47 N 0.16 0.80 -0.69 4.60 2.07 -1.05 0.12 116.25 122.25 3hlm h VAL 47 Ca 0.05 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3hlm h VAL 47 Cb 0.04 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3hlm h VAL 47 CO -0.01 0.01 0.41 0.74 0.02 0.00 0.00 177.57 178.74 3hlm h THR 48 N 0.03 1.03 -0.23 2.57 2.02 -0.94 -0.60 112.91 116.79 3hlm h THR 48 Ca 0.11 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.85 3hlm h THR 48 Cb 0.16 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3hlm h THR 48 CO -0.22 0.14 -0.54 -0.33 0.37 0.00 0.00 175.52 174.95 3hlm h GLU 49 N 0.78 0.69 -0.33 6.66 5.08 -0.14 -2.51 114.58 124.81 3hlm h GLU 49 Ca 0.30 -0.43 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3hlm h GLU 49 Cb 0.11 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3hlm h GLU 49 CO -0.15 1.05 0.02 0.00 -1.00 0.00 0.00 179.01 178.93 3hlm h ALA 50 N 0.86 0.31 -0.76 3.43 0.00 -0.49 -2.19 119.26 120.42 3hlm h ALA 50 Ca 0.01 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.12 3hlm h ALA 50 Cb 1.11 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3hlm h ALA 50 CO 0.11 -0.38 0.37 0.35 0.00 0.00 0.00 179.25 179.70 3hlm h PHE 51 N 0.12 0.65 -0.26 0.00 3.57 -0.98 -1.95 116.94 118.11 3hlm h PHE 51 Ca 0.16 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 3hlm h PHE 51 Cb 0.20 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3hlm h PHE 51 CO -0.21 0.18 -0.26 0.87 -2.23 0.00 0.00 178.31 176.66 3hlm h LYS 52 N 0.58 0.49 0.00 1.11 1.57 -1.16 -2.53 116.57 116.63 3hlm h LYS 52 Ca 0.40 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3hlm h LYS 52 Cb 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3hlm h LYS 52 CO -0.33 0.71 0.00 0.54 -0.57 0.00 0.00 179.45 179.81 3hlm n ARG 53 N -4.12 0.95 -3.24 3.15 1.74 -0.76 -4.82 116.66 109.56 3hlm n ARG 53 Ca -0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 3hlm n ARG 53 Cb 0.41 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 3hlm n ARG 53 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hlm s ASP 54 N -1.86 6.60 0.05 0.55 -1.08 -0.96 -4.93 116.67 115.05 3hlm s ASP 54 Ca 0.39 0.72 0.28 0.00 -0.52 0.00 0.00 52.55 53.42 3hlm s ASP 54 Cb 0.18 -2.30 1.13 0.00 -1.46 0.00 0.00 42.92 40.47 3hlm s ASP 54 CO 0.30 -0.16 1.89 0.35 0.52 0.00 0.00 175.17 178.07 3hlm n THR 55 N 4.42 0.16 -1.67 1.71 -2.24 -1.26 -4.88 114.28 110.51 3hlm n THR 55 Ca -0.05 -0.07 -0.48 0.00 -2.27 0.00 0.00 64.05 61.18 3hlm n THR 55 Cb 0.51 -0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 3hlm n THR 55 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hlm n ASN 56 N -1.69 3.10 0.15 3.42 2.85 -1.26 -4.83 115.26 116.99 3hlm n ASN 56 Ca 0.07 1.04 0.13 0.00 -0.11 0.00 0.00 54.58 55.71 3hlm n ASN 56 Cb 0.36 -1.37 0.49 0.00 1.24 0.00 0.00 39.78 40.50 3hlm n ASN 56 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3hlm h SER 57 N 7.21 0.00 0.23 1.20 4.64 -2.00 -2.81 113.55 122.02 3hlm h SER 57 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hlm h SER 57 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3hlm h SER 57 CO 0.91 0.00 -0.22 0.29 -0.87 0.00 0.00 176.83 176.93 3hlm n LYS 58 N -2.39 0.88 -1.50 4.77 4.76 -1.26 -5.00 118.16 118.43 3hlm n LYS 58 Ca 0.03 -0.50 -0.35 0.00 -2.87 0.00 0.00 58.31 54.62 3hlm n LYS 58 Cb 0.29 -1.49 0.09 0.00 -1.84 0.00 0.00 35.03 32.07 3hlm n LYS 58 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3hlm s LYS 59 N -2.46 2.23 0.00 1.97 -2.85 -1.06 -4.91 119.74 112.65 3hlm s LYS 59 Ca 0.26 1.79 0.01 0.00 -1.00 0.00 0.00 55.97 57.03 3hlm s LYS 59 Cb 0.19 -1.84 -0.00 0.00 -2.06 0.00 0.00 37.83 34.12 3hlm s LYS 59 CO 0.50 -1.77 -0.04 -1.64 0.10 0.00 0.00 175.35 172.50 3hlm s MET 60 N -3.82 0.32 -0.42 1.78 -1.94 -0.52 -5.00 119.30 109.69 3hlm s MET 60 Ca 0.75 -0.18 -0.05 0.00 -1.71 0.00 0.00 55.69 54.50 3hlm s MET 60 Cb -0.30 -0.28 0.11 0.00 2.01 0.00 0.00 34.83 36.36 3hlm s MET 60 CO 0.44 0.08 0.24 1.21 -0.01 0.00 0.00 175.02 176.97 3hlm s ASN 61 N -0.21 5.40 -0.19 3.03 2.47 -1.26 -1.25 114.94 122.93 3hlm s ASN 61 Ca 0.00 -1.89 0.16 0.00 0.42 0.00 0.00 52.86 51.55 3hlm s ASN 61 Cb -0.02 -1.89 0.61 0.00 -1.45 0.00 0.00 41.25 38.50 3hlm s ASN 61 CO -0.00 -0.57 1.52 0.18 -3.72 0.00 0.00 177.10 174.51 3hlm n LEU 62 N 4.72 4.41 -0.26 3.21 4.77 0.10 -4.19 117.00 129.76 3hlm n LEU 62 Ca -0.05 -2.96 0.06 0.00 -0.03 0.00 0.00 56.01 53.02 3hlm n LEU 62 Cb 0.41 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3hlm n LEU 62 CO 0.36 0.67 0.23 0.61 -1.33 0.00 0.00 177.39 177.93 3hlm n GLY 63 N -0.14 -0.14 3.77 -0.72 0.00 -1.08 0.05 105.19 106.93 3hlm n GLY 63 Ca 0.23 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3hlm n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hlm s VAL 64 N -1.45 2.28 -0.39 1.61 0.11 -1.26 -4.92 120.40 116.38 3hlm s VAL 64 Ca 0.09 0.27 0.05 0.00 -2.93 0.00 0.00 61.98 59.46 3hlm s VAL 64 Cb 0.09 -3.17 0.47 0.00 -1.53 0.00 0.00 36.38 32.24 3hlm s VAL 64 CO 0.28 0.06 1.46 0.61 -3.33 0.00 0.00 175.10 174.18 3hlm n GLY 65 N 0.93 5.98 3.47 6.54 0.00 -1.26 -4.74 105.19 116.11 3hlm n GLY 65 Ca 0.02 -2.29 -0.16 0.00 0.00 0.00 0.00 46.02 43.59 3hlm n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hlm s ALA 66 N -3.59 -1.62 0.34 4.61 0.00 -1.26 -5.14 121.76 115.10 3hlm s ALA 66 Ca 0.53 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 53.22 3hlm s ALA 66 Cb 0.43 0.20 -0.11 0.00 0.00 0.00 0.00 23.12 23.64 3hlm s ALA 66 CO 0.02 -0.45 1.51 0.98 0.00 0.00 0.00 175.76 177.82 3hlm n TYR 67 N 0.65 2.86 -4.73 0.00 9.36 -1.26 -4.87 117.16 119.17 3hlm n TYR 67 Ca -0.19 0.38 -0.26 0.00 3.32 0.00 0.00 57.90 61.15 3hlm n TYR 67 Cb 0.59 -2.55 -0.14 0.00 -0.63 0.00 0.00 39.34 36.61 3hlm n TYR 67 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3hlm s ARG 68 N -1.43 1.49 0.72 2.98 1.81 -1.26 -4.55 118.95 118.72 3hlm s ARG 68 Ca 0.58 -0.94 -0.12 0.00 -1.72 0.00 0.00 55.73 53.52 3hlm s ARG 68 Cb -0.50 -1.59 0.17 0.00 -0.45 0.00 0.00 34.95 32.58 3hlm s ARG 68 CO 0.58 0.41 0.96 -0.40 -0.68 0.00 0.00 175.30 176.17 3hlm n ASP 69 N 1.93 -0.02 0.17 0.23 5.68 -0.79 -4.85 116.55 118.90 3hlm n ASP 69 Ca -0.17 -1.33 0.13 0.00 -0.50 0.00 0.00 54.79 52.91 3hlm n ASP 69 Cb 0.53 -0.74 0.61 0.00 -1.14 0.00 0.00 41.12 40.38 3hlm n ASP 69 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3hlm h ASP 70 N -1.33 0.00 -0.57 -1.12 1.82 -1.92 0.64 116.42 113.94 3hlm h ASP 70 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 3hlm h ASP 70 Cb 0.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.88 3hlm h ASP 70 CO 0.22 0.00 0.00 0.59 -1.61 0.00 0.00 179.24 178.44 3hlm n ASN 71 N -2.36 4.70 -2.15 2.28 4.13 -1.26 -4.63 115.26 115.98 3hlm n ASN 71 Ca -0.00 -2.57 -0.15 0.00 1.68 0.00 0.00 54.58 53.54 3hlm n ASN 71 Cb 0.11 -0.57 0.03 0.00 -1.54 0.00 0.00 39.78 37.81 3hlm n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hlm n GLY 72 N 0.79 -0.09 3.42 7.41 0.00 0.22 -5.03 105.19 111.90 3hlm n GLY 72 Ca 0.25 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3hlm n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hlm s LYS 73 N -5.40 2.03 0.50 1.61 -0.14 -1.26 -4.84 119.74 112.25 3hlm s LYS 73 Ca 0.23 -0.99 -0.21 0.00 -1.36 0.00 0.00 55.97 53.64 3hlm s LYS 73 Cb -0.10 -2.14 -0.09 0.00 -1.68 0.00 0.00 37.83 33.81 3hlm s LYS 73 CO 0.29 0.54 0.74 -2.30 -0.76 0.00 0.00 175.35 173.86 3hlm n PRO 74 N 1.70 0.82 -3.69 -1.68 -0.02 -1.26 -1.88 135.00 128.99 3hlm n PRO 74 Ca -0.16 0.31 -0.29 0.00 -2.02 0.00 0.00 63.50 61.33 3hlm n PRO 74 Cb 0.52 -1.84 -0.15 0.00 -0.02 0.00 0.00 33.50 32.01 3hlm n PRO 74 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hlm s TYR 75 N -1.51 1.25 -0.29 6.00 5.04 -1.26 -4.84 117.35 121.73 3hlm s TYR 75 Ca 0.67 -1.35 -0.25 0.00 -2.44 0.00 0.00 57.07 53.71 3hlm s TYR 75 Cb -0.50 -1.38 0.00 0.00 0.35 0.00 0.00 41.96 40.43 3hlm s TYR 75 CO 0.54 -0.81 0.86 0.08 -1.34 0.00 0.00 175.55 174.88 3hlm s VAL 76 N 1.78 4.74 0.30 3.14 1.01 -1.26 -4.90 120.40 125.21 3hlm s VAL 76 Ca 0.07 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 3hlm s VAL 76 Cb -0.17 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.89 3hlm s VAL 76 CO -0.24 -0.26 1.32 0.18 0.00 0.00 0.00 175.10 176.11 3hlm n LEU 77 N 6.30 3.29 -0.35 3.92 4.32 -1.26 -4.90 117.00 128.31 3hlm n LEU 77 Ca 0.06 1.18 0.03 0.00 -0.02 0.00 0.00 56.01 57.26 3hlm n LEU 77 Cb 0.48 -1.45 0.19 0.00 -1.62 0.00 0.00 43.42 41.02 3hlm n LEU 77 CO 0.51 -0.53 1.26 -0.65 -1.22 0.00 0.00 177.39 176.77 3hlm h PRO 78 N 3.20 1.11 -0.07 3.23 0.11 -1.99 -1.58 132.00 136.01 3hlm h PRO 78 Ca -0.45 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3hlm h PRO 78 Cb 1.28 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hlm h PRO 78 CO 0.68 0.73 0.06 0.66 -0.21 0.00 0.00 178.00 179.92 3hlm h SER 79 N 1.14 0.00 0.22 -2.05 4.64 -1.91 0.57 113.55 116.16 3hlm h SER 79 Ca 0.41 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.54 3hlm h SER 79 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3hlm h SER 79 CO -0.16 0.00 -0.78 0.58 -0.87 0.00 0.00 176.83 175.61 3hlm h VAL 80 N 0.00 1.37 -0.50 0.95 2.07 -1.68 -0.39 116.25 118.07 3hlm h VAL 80 Ca 0.03 -2.17 -0.12 0.00 0.82 0.00 0.00 66.70 65.26 3hlm h VAL 80 Cb 0.14 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3hlm h VAL 80 CO -0.00 0.66 -0.17 0.03 0.02 0.00 0.00 177.57 178.11 3hlm h ARG 81 N 0.30 0.99 0.45 1.57 2.47 -0.53 -1.51 114.38 118.12 3hlm h ARG 81 Ca -0.04 -0.39 -0.02 0.00 -1.26 0.00 0.00 59.98 58.26 3hlm h ARG 81 Cb 1.37 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 3hlm h ARG 81 CO 0.14 1.07 -0.21 -0.22 0.56 0.00 0.00 179.97 181.30 3hlm h LYS 82 N 0.86 -0.58 -0.94 0.04 3.64 -0.79 -1.79 116.57 117.02 3hlm h LYS 82 Ca 0.12 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.72 3hlm h LYS 82 Cb 0.73 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.58 3hlm h LYS 82 CO 0.06 -0.34 0.53 0.00 -2.27 0.00 0.00 179.45 177.43 3hlm h ALA 83 N -0.19 1.51 -0.49 5.00 0.00 -1.03 -1.85 119.26 122.21 3hlm h ALA 83 Ca -0.06 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3hlm h ALA 83 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hlm h ALA 83 CO 0.10 -0.09 -0.12 0.93 0.00 0.00 0.00 179.25 180.07 3hlm h GLU 84 N 0.68 0.92 -0.23 0.00 5.08 -0.94 0.21 114.58 120.31 3hlm h GLU 84 Ca 0.54 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3hlm h GLU 84 Cb 0.83 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3hlm h GLU 84 CO -0.39 0.99 -0.15 0.00 -1.00 0.00 0.00 179.01 178.46 3hlm h ALA 85 N 1.03 0.32 0.00 3.43 0.00 -0.99 -2.04 119.26 121.01 3hlm h ALA 85 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hlm h ALA 85 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hlm h ALA 85 CO 0.05 0.21 0.00 0.94 0.00 0.00 0.00 179.25 180.44 3hlm n GLN 86 N -4.48 0.17 0.01 0.00 7.27 -0.72 -2.06 117.38 117.56 3hlm n GLN 86 Ca -0.05 0.44 -0.17 0.00 0.07 0.00 0.00 57.00 57.30 3hlm n GLN 86 Cb 0.37 -1.85 -0.14 0.00 2.41 0.00 0.00 30.24 31.03 3hlm n GLN 86 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3hlm h ILE 87 N 0.00 0.77 -0.37 1.69 2.04 -0.78 -3.38 117.51 117.48 3hlm h ILE 87 Ca 0.00 -2.52 -0.11 0.00 1.00 0.00 0.00 64.86 63.23 3hlm h ILE 87 Cb 0.30 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 3hlm h ILE 87 CO 0.00 0.76 -0.24 0.00 0.00 0.00 0.00 178.15 178.67 3hlm h ALA 88 N 0.43 0.89 -0.79 1.87 0.00 -0.78 -2.27 119.26 118.60 3hlm h ALA 88 Ca -0.35 -0.37 0.23 0.00 0.00 0.00 0.00 54.91 54.41 3hlm h ALA 88 Cb 2.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 3hlm h ALA 88 CO 0.10 0.63 0.59 0.00 0.00 0.00 0.00 179.25 180.57 3hlm h ALA 89 N 1.09 2.73 -0.00 0.00 0.00 -1.61 -0.65 119.26 120.82 3hlm h ALA 89 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hlm h ALA 89 Cb 0.74 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hlm h ALA 89 CO 0.06 -1.00 -0.01 1.63 0.00 0.00 0.00 179.25 179.93 3hlm n LYS 90 N -4.21 1.05 -4.22 0.00 5.02 -0.85 -4.93 118.16 110.01 3hlm n LYS 90 Ca 0.16 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3hlm n LYS 90 Cb 0.88 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.36 3hlm n LYS 90 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hlm n ASN 91 N -0.83 -1.97 -4.64 4.39 5.15 -0.25 -4.89 115.26 112.21 3hlm n ASN 91 Ca 0.22 -1.07 -0.41 0.00 -0.60 0.00 0.00 54.58 52.71 3hlm n ASN 91 Cb 0.17 -2.54 0.01 0.00 -0.53 0.00 0.00 39.78 36.89 3hlm n ASN 91 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3hlm n LEU 92 N -4.37 3.08 -4.63 1.20 4.77 -1.26 -5.05 117.00 110.73 3hlm n LEU 92 Ca -0.05 1.06 -0.30 0.00 -0.03 0.00 0.00 56.01 56.69 3hlm n LEU 92 Cb 0.55 -1.40 0.24 0.00 -2.33 0.00 0.00 43.42 40.48 3hlm n LEU 92 CO 0.85 -1.20 0.66 1.51 -1.33 0.00 0.00 177.39 177.88 3hlm s ASP 93 N -0.67 1.02 -0.16 -1.43 1.47 -1.26 -5.03 116.67 110.60 3hlm s ASP 93 Ca 0.62 0.50 0.15 0.00 1.18 0.00 0.00 52.55 55.00 3hlm s ASP 93 Cb -0.55 -0.65 0.35 0.00 -0.34 0.00 0.00 42.92 41.73 3hlm s ASP 93 CO 0.57 -4.05 1.18 0.29 0.68 0.00 0.00 175.17 173.84 3hlm n LYS 94 N -4.69 1.37 -1.13 2.11 5.02 -1.26 -5.09 118.16 114.50 3hlm n LYS 94 Ca 0.15 -2.90 -0.29 0.00 -2.02 0.00 0.00 58.31 53.25 3hlm n LYS 94 Cb 0.60 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.27 3hlm n LYS 94 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hlm s GLU 95 N -2.92 0.71 0.48 1.97 0.41 -1.26 -4.95 118.70 113.14 3hlm s GLU 95 Ca 0.34 0.70 -0.23 0.00 -0.41 0.00 0.00 54.97 55.37 3hlm s GLU 95 Cb 0.32 -1.75 -0.07 0.00 -1.78 0.00 0.00 34.13 30.85 3hlm s GLU 95 CO -0.03 -2.59 1.30 0.71 -0.49 0.00 0.00 175.26 174.17 3hlm s TYR 96 N -2.90 2.58 0.61 1.61 2.02 -1.26 -4.99 117.35 115.01 3hlm s TYR 96 Ca 0.65 1.41 -0.04 0.00 -0.37 0.00 0.00 57.07 58.72 3hlm s TYR 96 Cb -0.19 -3.68 0.03 0.00 -0.40 0.00 0.00 41.96 37.72 3hlm s TYR 96 CO 0.58 -2.36 0.89 -0.51 -1.57 0.00 0.00 175.55 172.58 3hlm s LEU 97 N -3.05 3.14 1.10 -1.29 1.43 -1.26 -5.07 118.68 113.68 3hlm s LEU 97 Ca 0.65 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 54.03 3hlm s LEU 97 Cb -0.37 -3.21 0.19 0.00 0.03 0.00 0.00 46.19 42.83 3hlm s LEU 97 CO 0.46 -1.23 0.64 -2.65 0.23 0.00 0.00 176.35 173.80 3hlm n PRO 98 N -2.60 -1.70 -0.07 1.29 -0.02 -1.26 -4.78 135.00 125.86 3hlm n PRO 98 Ca 0.06 -0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 60.98 3hlm n PRO 98 Cb 0.59 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3hlm n PRO 98 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3hlm h ILE 99 N -2.27 1.08 0.00 4.25 2.04 -1.97 0.44 117.51 121.09 3hlm h ILE 99 Ca -0.55 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3hlm h ILE 99 Cb 1.33 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3hlm h ILE 99 CO 0.43 0.08 0.00 0.61 0.00 0.00 0.00 178.15 179.27 3hlm n GLY 100 N -1.09 -0.53 7.00 5.37 0.00 -1.26 -4.47 105.19 110.21 3hlm n GLY 100 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hlm n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hlm n GLY 101 N 0.05 -1.55 3.59 -0.02 0.00 0.16 -1.76 105.19 105.64 3hlm n GLY 101 Ca 0.07 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 3hlm n GLY 101 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hlm s LEU 102 N 0.00 3.50 0.32 0.99 2.96 -1.26 -4.21 118.68 120.98 3hlm s LEU 102 Ca 0.00 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.53 3hlm s LEU 102 Cb 0.00 -3.31 0.92 0.00 0.50 0.00 0.00 46.19 44.30 3hlm s LEU 102 CO 0.00 -1.55 1.64 0.00 -1.32 0.00 0.00 176.35 175.12 3hlm h ALA 103 N 10.76 1.61 -0.01 5.97 0.00 -1.98 -0.79 119.26 134.82 3hlm h ALA 103 Ca -0.27 0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 3hlm h ALA 103 Cb 1.09 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hlm h ALA 103 CO 1.13 -0.57 -0.89 1.05 0.00 0.00 0.00 179.25 179.98 3hlm h GLU 104 N 0.21 0.33 -0.23 0.00 4.11 -1.98 -1.83 114.58 115.18 3hlm h GLU 104 Ca 0.66 -0.34 0.03 0.00 0.07 0.00 0.00 59.36 59.78 3hlm h GLU 104 Cb 1.45 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 3hlm h GLU 104 CO -0.68 1.03 0.03 0.35 0.07 0.00 0.00 179.01 179.81 3hlm h PHE 105 N 0.19 0.04 -0.36 2.06 3.57 -1.57 -2.34 116.94 118.53 3hlm h PHE 105 Ca -0.06 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.53 3hlm h PHE 105 Cb 1.51 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.20 3hlm h PHE 105 CO 0.05 -0.00 -0.11 0.00 -2.23 0.00 0.00 178.31 176.02 3hlm h LYS 107 N -0.02 0.12 -0.90 0.00 3.64 -1.33 -2.47 116.57 115.60 3hlm h LYS 107 Ca 0.18 -0.07 0.19 0.00 -1.27 0.00 0.00 60.65 59.68 3hlm h LYS 107 Cb 0.29 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.05 3hlm h LYS 107 CO -0.38 0.61 0.59 0.00 -2.27 0.00 0.00 179.45 178.00 3hlm h ALA 108 N 0.51 2.11 -0.01 5.00 0.00 -1.40 -1.17 119.26 124.29 3hlm h ALA 108 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 3hlm h ALA 108 Cb 0.60 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hlm h ALA 108 CO 0.01 -0.39 -0.90 1.03 0.00 0.00 0.00 179.25 179.01 3hlm h SER 109 N 0.47 0.45 0.04 0.00 0.87 -0.89 0.42 113.55 114.91 3hlm h SER 109 Ca 0.47 -0.35 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 3hlm h SER 109 Cb 1.06 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3hlm h SER 109 CO -0.19 1.14 -0.37 0.00 -0.53 0.00 0.00 176.83 176.88 3hlm h ALA 110 N 0.83 0.98 -0.05 6.23 0.00 -0.91 -2.68 119.26 123.66 3hlm h ALA 110 Ca -0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3hlm h ALA 110 Cb 1.52 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hlm h ALA 110 CO 0.15 0.61 -0.03 0.93 0.00 0.00 0.00 179.25 180.92 3hlm h GLU 111 N 0.38 0.11 -0.96 0.00 5.08 -0.64 0.26 114.58 118.80 3hlm h GLU 111 Ca 0.04 -0.05 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 3hlm h GLU 111 Cb 0.83 -0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.89 3hlm h GLU 111 CO 0.07 0.49 -0.12 1.25 -1.00 0.00 0.00 179.01 179.71 3hlm h LEU 112 N -0.28 -0.69 0.13 1.33 5.85 -0.15 0.18 115.31 121.68 3hlm h LEU 112 Ca 0.01 0.28 -0.35 0.00 0.84 0.00 0.00 57.88 58.66 3hlm h LEU 112 Cb 0.46 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3hlm h LEU 112 CO 0.01 -0.33 -1.86 0.00 -0.34 0.00 0.00 178.44 175.92 3hlm h ALA 113 N 1.96 0.37 0.00 1.25 0.00 -1.07 -3.35 119.26 118.42 3hlm h ALA 113 Ca 0.52 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3hlm h ALA 113 Cb 0.93 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3hlm h ALA 113 CO -0.95 1.24 -0.82 1.28 0.00 0.00 0.00 179.25 180.00 3hlm n LEU 114 N -3.48 0.63 0.00 0.00 4.77 0.85 -4.78 117.00 115.00 3hlm n LEU 114 Ca -0.27 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3hlm n LEU 114 Cb 1.06 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 3hlm n LEU 114 CO 0.46 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3hlm n GLY 115 N 1.38 -2.07 0.26 -0.72 0.00 0.61 -4.58 105.19 100.09 3hlm n GLY 115 Ca 0.03 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 3hlm n GLY 115 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hlm h GLU 116 N 0.00 -0.27 -1.44 1.61 4.57 -1.94 -2.73 114.58 114.37 3hlm h GLU 116 Ca 0.00 0.02 -0.68 0.00 -1.18 0.00 0.00 59.36 57.52 3hlm h GLU 116 Cb 0.00 0.06 -0.33 0.00 -0.16 0.00 0.00 28.75 28.33 3hlm h GLU 116 CO 0.00 -0.18 0.42 0.09 -1.18 0.00 0.00 179.01 178.16 3hlm n ASN 117 N -4.21 6.71 -4.75 1.04 3.02 -1.26 -4.93 115.26 110.88 3hlm n ASN 117 Ca -0.03 -3.79 -0.41 0.00 -0.03 0.00 0.00 54.58 50.32 3hlm n ASN 117 Cb 0.21 -0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 3hlm n ASN 117 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hlm s ASN 118 N -2.10 7.02 0.60 6.41 3.84 -1.03 -4.86 114.94 124.81 3hlm s ASN 118 Ca 0.55 2.40 0.29 0.00 0.21 0.00 0.00 52.86 56.31 3hlm s ASN 118 Cb 0.45 -2.62 1.57 0.00 -0.55 0.00 0.00 41.25 40.10 3hlm s ASN 118 CO -0.19 -0.38 1.99 1.05 -2.79 0.00 0.00 177.10 176.78 3hlm h GLU 119 N 4.35 0.00 -0.11 0.43 -0.00 -1.94 0.12 114.58 117.44 3hlm h GLU 119 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.89 3hlm h GLU 119 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.96 3hlm h GLU 119 CO 0.70 0.00 0.02 0.28 -0.00 0.00 0.00 179.01 180.02 3hlm h VAL 120 N 0.00 1.21 -0.04 -1.06 2.07 -1.94 -0.59 116.25 115.90 3hlm h VAL 120 Ca 0.14 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3hlm h VAL 120 Cb 0.84 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3hlm h VAL 120 CO -0.00 0.18 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 3hlm h LEU 121 N -0.05 -0.12 -0.46 2.57 3.38 -1.16 -1.59 115.31 117.88 3hlm h LEU 121 Ca 0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hlm h LEU 121 Cb 0.27 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hlm h LEU 121 CO 0.00 -0.06 0.15 0.11 0.09 0.00 0.00 178.44 178.74 3hlm h LYS 122 N -0.05 0.71 -0.00 1.13 1.57 -1.29 -1.65 116.57 116.99 3hlm h LYS 122 Ca 0.03 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3hlm h LYS 122 Cb 0.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3hlm h LYS 122 CO -0.07 0.68 -0.00 -1.13 -0.57 0.00 0.00 179.45 178.36 3hlm n SER 123 N -4.54 0.05 -0.95 0.86 3.41 -0.24 -4.90 113.62 107.31 3hlm n SER 123 Ca 0.01 -0.85 -0.12 0.00 -0.26 0.00 0.00 58.87 57.64 3hlm n SER 123 Cb 0.18 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 3hlm n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hlm n GLY 124 N 1.06 1.20 2.27 5.00 0.00 -0.62 -4.38 105.19 109.72 3hlm n GLY 124 Ca 0.22 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3hlm n GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hlm n ARG 125 N -1.14 3.44 -3.51 1.61 1.85 -1.03 -4.19 116.66 113.69 3hlm n ARG 125 Ca -0.12 -2.08 -0.09 0.00 -1.00 0.00 0.00 57.85 54.56 3hlm n ARG 125 Cb 0.60 -2.63 -0.02 0.00 -1.05 0.00 0.00 32.46 29.36 3hlm n ARG 125 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3hlm s PHE 126 N 1.63 -0.37 0.01 2.89 -0.71 -1.26 0.15 117.98 120.32 3hlm s PHE 126 Ca 0.68 0.20 0.02 0.00 -1.04 0.00 0.00 56.93 56.79 3hlm s PHE 126 Cb 0.21 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.56 3hlm s PHE 126 CO -0.05 -0.65 -0.06 0.54 -1.34 0.00 0.00 175.22 173.65 3hlm s VAL 127 N -3.29 0.48 -0.05 -2.49 0.11 -0.64 -4.85 120.40 109.68 3hlm s VAL 127 Ca 0.05 -0.54 0.04 0.00 -2.93 0.00 0.00 61.98 58.60 3hlm s VAL 127 Cb -0.01 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3hlm s VAL 127 CO -0.09 -0.05 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.59 3hlm s THR 128 N -0.57 1.27 0.05 5.04 2.01 -1.26 -2.04 115.64 120.14 3hlm s THR 128 Ca -0.02 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.45 3hlm s THR 128 Cb -0.05 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 3hlm s THR 128 CO 0.00 0.37 -0.24 0.68 -0.69 0.00 0.00 174.62 174.74 3hlm s VAL 129 N 0.19 1.95 0.34 3.82 -7.23 0.88 -4.91 120.40 115.45 3hlm s VAL 129 Ca -0.06 -1.32 -0.27 0.00 -1.81 0.00 0.00 61.98 58.52 3hlm s VAL 129 Cb -0.12 -1.68 -0.09 0.00 0.56 0.00 0.00 36.38 35.05 3hlm s VAL 129 CO 0.02 0.29 1.06 -1.58 -0.31 0.00 0.00 175.10 174.59 3hlm s GLN 130 N -1.23 4.42 0.34 4.82 0.74 -0.73 -0.35 119.66 127.67 3hlm s GLN 130 Ca 0.10 1.62 0.06 0.00 0.05 0.00 0.00 55.36 57.19 3hlm s GLN 130 Cb -0.10 -2.86 -0.03 0.00 1.10 0.00 0.00 33.01 31.13 3hlm s GLN 130 CO 0.02 0.06 0.23 0.95 -0.55 0.00 0.00 175.29 176.01 3hlm s THR 131 N -1.43 0.14 -1.24 -0.34 -4.23 -0.30 -4.65 115.64 103.59 3hlm s THR 131 Ca 0.51 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.89 3hlm s THR 131 Cb -0.26 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.28 3hlm s THR 131 CO 0.33 0.00 1.58 -0.38 -0.54 0.00 0.00 174.62 175.61 3hlm n ILE 132 N -0.68 4.24 -4.80 2.99 2.08 -1.26 -3.21 119.36 118.72 3hlm n ILE 132 Ca 0.04 -4.58 0.00 0.00 0.56 0.00 0.00 62.75 58.77 3hlm n ILE 132 Cb 0.63 -2.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.09 3hlm n ILE 132 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3hlm n SER 133 N 5.40 -3.97 0.17 4.38 2.88 -1.10 -1.59 113.62 119.80 3hlm n SER 133 Ca 0.39 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.98 3hlm n SER 133 Cb 0.41 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.09 3hlm n SER 133 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3hlm h GLY 134 N 0.00 0.00 0.89 0.46 0.00 -1.81 -2.95 103.07 99.66 3hlm h GLY 134 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3hlm h GLY 134 CO 0.00 0.00 0.06 -0.84 0.00 0.00 0.00 176.54 175.76 3hlm h THR 135 N 0.00 1.13 -0.27 4.70 2.02 -1.92 -1.34 112.91 117.23 3hlm h THR 135 Ca -0.00 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 66.87 3hlm h THR 135 Cb 1.10 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3hlm h THR 135 CO 0.05 0.12 0.20 1.23 0.37 0.00 0.00 175.52 177.49 3hlm h GLY 136 N 0.08 0.00 1.11 2.16 0.00 -1.28 -0.48 103.07 104.67 3hlm h GLY 136 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.12 3hlm h GLY 136 CO -0.01 0.00 -1.05 0.00 0.00 0.00 0.00 176.54 175.49 3hlm h ALA 137 N 1.85 0.03 -0.43 3.60 0.00 -1.33 0.67 119.26 123.66 3hlm h ALA 137 Ca 0.13 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 54.36 3hlm h ALA 137 Cb 0.53 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3hlm h ALA 137 CO -0.00 0.60 0.21 -0.07 0.00 0.00 0.00 179.25 179.99 3hlm h LEU 138 N 0.20 0.30 -0.02 0.00 3.38 -0.41 0.21 115.31 118.97 3hlm h LEU 138 Ca -0.15 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3hlm h LEU 138 Cb 1.73 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 3hlm h LEU 138 CO 0.20 0.22 0.00 -0.09 0.09 0.00 0.00 178.44 178.86 3hlm h ARG 139 N 0.42 0.04 -0.24 1.13 9.65 -1.10 0.25 114.38 124.53 3hlm h ARG 139 Ca 0.18 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.08 3hlm h ARG 139 Cb 0.09 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 3hlm h ARG 139 CO -0.13 0.31 0.08 0.28 2.80 0.00 0.00 179.97 183.31 3hlm h VAL 140 N -0.24 0.94 -0.54 0.20 2.07 -0.77 0.50 116.25 118.40 3hlm h VAL 140 Ca 0.01 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3hlm h VAL 140 Cb 0.29 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3hlm h VAL 140 CO 0.00 0.03 0.30 1.23 0.02 0.00 0.00 177.57 179.16 3hlm h GLY 141 N 0.19 0.76 0.84 2.17 0.00 -0.34 -2.56 103.07 104.13 3hlm h GLY 141 Ca 0.10 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.25 3hlm h GLY 141 CO -0.11 0.16 0.36 0.00 0.00 0.00 0.00 176.54 176.95 3hlm h ALA 142 N 1.26 0.78 0.00 3.60 0.00 -0.07 -0.67 119.26 124.17 3hlm h ALA 142 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3hlm h ALA 142 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hlm h ALA 142 CO -0.13 0.08 -0.08 0.66 0.00 0.00 0.00 179.25 179.78 3hlm h SER 143 N 0.70 0.00 0.22 0.00 4.64 -0.62 -0.51 113.55 117.99 3hlm h SER 143 Ca 0.25 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.24 3hlm h SER 143 Cb 0.05 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3hlm h SER 143 CO -0.11 0.08 -1.49 0.15 -0.87 0.00 0.00 176.83 174.59 3hlm h PHE 144 N 0.00 0.84 -0.57 4.77 3.57 -0.95 -2.42 116.94 122.19 3hlm h PHE 144 Ca -0.00 -0.61 0.05 0.00 3.53 0.00 0.00 57.97 60.94 3hlm h PHE 144 Cb 0.41 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 3hlm h PHE 144 CO 0.00 1.57 0.29 -0.07 -2.23 0.00 0.00 178.31 177.87 3hlm h LEU 145 N 0.06 0.41 -0.13 0.59 3.38 -0.66 -0.26 115.31 118.70 3hlm h LEU 145 Ca -0.27 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3hlm h LEU 145 Cb 2.08 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.75 3hlm h LEU 145 CO 0.22 0.28 -0.09 -0.61 0.09 0.00 0.00 178.44 178.33 3hlm h GLN 146 N 0.55 -0.10 0.00 1.13 -0.00 -1.07 0.18 115.11 115.81 3hlm h GLN 146 Ca 0.25 0.01 -0.21 0.00 -0.00 0.00 0.00 58.65 58.70 3hlm h GLN 146 Cb 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.67 3hlm h GLN 146 CO -0.18 -0.06 -0.92 -0.09 0.00 0.00 0.00 178.83 177.58 3hlm h ARG 147 N -0.10 0.33 0.00 1.69 2.43 -1.30 -3.40 114.38 114.03 3hlm h ARG 147 Ca 0.08 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3hlm h ARG 147 Cb 0.22 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3hlm h ARG 147 CO -0.19 1.05 -0.08 1.19 -1.51 0.00 0.00 179.97 180.43 3hlm n PHE 148 N -3.71 0.00 -2.91 2.20 3.72 -0.12 -4.86 117.46 111.77 3hlm n PHE 148 Ca -0.06 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.91 3hlm n PHE 148 Cb 0.82 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.35 3hlm n PHE 148 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3hlm s PHE 149 N -1.02 3.27 -0.42 1.38 5.36 0.61 -4.75 117.98 122.41 3hlm s PHE 149 Ca 0.00 -1.74 0.26 0.00 -0.96 0.00 0.00 56.93 54.50 3hlm s PHE 149 Cb 0.00 -4.33 0.94 0.00 -0.34 0.00 0.00 43.02 39.29 3hlm s PHE 149 CO 0.00 -1.47 1.77 1.57 -1.46 0.00 0.00 175.22 175.63 3hlm h LYS 150 N 8.02 0.00 0.00 10.12 2.10 -1.89 -3.21 116.57 131.71 3hlm h LYS 150 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3hlm h LYS 150 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 3hlm h LYS 150 CO 1.20 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 179.84 3hlm n PHE 151 N -2.53 0.81 -3.49 0.07 3.72 -1.26 -4.90 117.46 109.88 3hlm n PHE 151 Ca 0.03 0.26 -0.10 0.00 -0.05 0.00 0.00 57.45 57.58 3hlm n PHE 151 Cb 0.34 -0.92 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 3hlm n PHE 151 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hlm s SER 152 N -4.31 -0.45 0.00 4.37 0.15 -1.21 -4.77 113.70 107.47 3hlm s SER 152 Ca 0.09 0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.89 3hlm s SER 152 Cb 0.12 0.46 0.13 0.00 -1.71 0.00 0.00 66.02 65.02 3hlm s SER 152 CO 0.53 -0.70 1.05 0.54 1.20 0.00 0.00 173.24 175.86 3hlm n ARG 153 N -0.11 2.41 -3.62 5.44 5.12 -1.26 -4.89 116.66 119.75 3hlm n ARG 153 Ca -0.12 -1.61 -0.38 0.00 -1.93 0.00 0.00 57.85 53.81 3hlm n ARG 153 Cb 0.62 -1.13 -0.11 0.00 -1.16 0.00 0.00 32.46 30.68 3hlm n ARG 153 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hlm s ASP 154 N -0.91 5.83 -0.32 0.55 1.01 -1.26 0.38 116.67 121.95 3hlm s ASP 154 Ca 0.10 -0.14 -0.09 0.00 0.71 0.00 0.00 52.55 53.13 3hlm s ASP 154 Cb 0.06 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.91 3hlm s ASP 154 CO 0.08 -0.08 0.15 -0.69 0.21 0.00 0.00 175.17 174.84 3hlm s VAL 155 N 1.72 4.52 -0.22 -1.27 1.01 0.21 -2.38 120.40 123.98 3hlm s VAL 155 Ca 0.07 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 3hlm s VAL 155 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3hlm s VAL 155 CO 0.09 0.02 0.98 -0.36 0.00 0.00 0.00 175.10 175.83 3hlm s PHE 156 N 1.59 3.34 0.05 5.22 0.40 -0.47 -1.79 117.98 126.32 3hlm s PHE 156 Ca 0.04 1.39 0.02 0.00 -0.60 0.00 0.00 56.93 57.78 3hlm s PHE 156 Cb -0.17 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.11 3hlm s PHE 156 CO 0.06 -0.44 0.07 -0.51 0.70 0.00 0.00 175.22 175.10 3hlm s LEU 157 N 3.01 3.78 0.64 -0.37 1.43 -0.80 -0.45 118.68 125.92 3hlm s LEU 157 Ca 0.42 0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.37 3hlm s LEU 157 Cb -0.15 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 3hlm s LEU 157 CO 0.07 0.21 1.20 -2.16 0.23 0.00 0.00 176.35 175.90 3hlm s PRO 158 N -2.11 2.73 -0.39 1.29 0.04 -1.26 -1.23 135.00 134.07 3hlm s PRO 158 Ca 0.26 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 3hlm s PRO 158 Cb -0.12 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3hlm s PRO 158 CO 0.18 -1.38 0.38 0.15 0.04 0.00 0.00 177.00 176.38 3hlm s LYS 159 N -3.56 3.28 0.40 4.56 1.02 0.06 -3.02 119.74 122.48 3hlm s LYS 159 Ca 0.76 -0.65 -0.04 0.00 0.02 0.00 0.00 55.97 56.06 3hlm s LYS 159 Cb -0.29 -3.90 0.09 0.00 -0.52 0.00 0.00 37.83 33.21 3hlm s LYS 159 CO 0.37 -0.69 0.54 -0.35 -0.92 0.00 0.00 175.35 174.30 3hlm n PRO 160 N 5.45 -0.22 -4.23 -1.68 -0.04 -1.26 -1.10 135.00 131.93 3hlm n PRO 160 Ca -0.09 -1.06 -0.19 0.00 -0.04 0.00 0.00 63.50 62.13 3hlm n PRO 160 Cb 0.48 -0.48 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 3hlm n PRO 160 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hlm s SER 161 N -3.05 1.57 0.10 3.54 0.15 -1.17 -4.84 113.70 110.00 3hlm s SER 161 Ca 0.32 -1.71 -0.32 0.00 0.70 0.00 0.00 55.95 54.94 3hlm s SER 161 Cb -0.01 0.61 -0.11 0.00 -1.71 0.00 0.00 66.02 64.80 3hlm s SER 161 CO 0.22 -1.17 1.83 1.87 1.20 0.00 0.00 173.24 177.20 3hlm n TRP 162 N -0.63 2.57 -0.25 3.44 -0.00 -1.03 -4.52 117.44 117.01 3hlm n TRP 162 Ca 0.06 -0.12 0.24 0.00 -0.00 0.00 0.00 57.50 57.67 3hlm n TRP 162 Cb 0.62 -2.72 0.58 0.00 -0.00 0.00 0.00 31.31 29.79 3hlm n TRP 162 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3hlm h GLY 163 N 8.54 0.67 2.00 5.87 0.00 -1.99 -1.07 103.07 117.08 3hlm h GLY 163 Ca -0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 3hlm h GLY 163 CO 0.94 -0.04 -0.10 -0.57 0.00 0.00 0.00 176.54 176.78 3hlm h ASN 164 N 0.27 0.00 -0.99 0.19 -1.24 -2.01 -3.05 115.58 108.75 3hlm h ASN 164 Ca 0.50 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.66 3hlm h ASN 164 Cb 1.47 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.42 3hlm h ASN 164 CO -0.15 0.10 0.61 0.45 -1.29 0.00 0.00 177.43 177.14 3hlm h HIS 165 N 0.00 1.09 0.25 0.67 3.86 -1.56 -1.44 115.15 118.02 3hlm h HIS 165 Ca -0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3hlm h HIS 165 Cb 0.52 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3hlm h HIS 165 CO 0.00 0.34 -0.12 1.15 0.86 0.00 0.00 177.93 180.16 3hlm h THR 166 N 0.87 0.78 0.00 2.45 2.02 -1.71 -2.49 112.91 114.84 3hlm h THR 166 Ca 0.53 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3hlm h THR 166 Cb 0.67 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3hlm h THR 166 CO -0.32 0.14 -0.07 1.55 0.37 0.00 0.00 175.52 177.19 3hlm h PRO 167 N -0.72 0.00 -0.05 6.66 0.13 -1.67 -0.78 132.00 135.57 3hlm h PRO 167 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3hlm h PRO 167 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3hlm h PRO 167 CO 0.06 0.07 -0.01 0.82 -0.23 0.00 0.00 178.00 178.71 3hlm h ILE 168 N 0.00 1.28 -0.19 -3.56 2.04 -1.19 -0.51 117.51 115.38 3hlm h ILE 168 Ca -0.00 -0.85 -0.16 0.00 1.00 0.00 0.00 64.86 64.85 3hlm h ILE 168 Cb 0.12 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3hlm h ILE 168 CO 0.01 0.23 -0.55 -0.26 0.00 0.00 0.00 178.15 177.58 3hlm h PHE 169 N -0.23 0.71 0.26 1.37 0.04 -1.13 -0.38 116.94 117.58 3hlm h PHE 169 Ca 0.01 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 3hlm h PHE 169 Cb 0.37 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3hlm h PHE 169 CO 0.04 0.99 -0.12 -0.09 -0.60 0.00 0.00 178.31 178.53 3hlm h ARG 170 N 0.44 -0.33 -1.04 1.51 9.65 -1.13 0.17 114.38 123.65 3hlm h ARG 170 Ca 0.01 0.02 0.32 0.00 -1.10 0.00 0.00 59.98 59.23 3hlm h ARG 170 Cb 1.09 0.08 -0.14 0.00 -1.39 0.00 0.00 29.97 29.61 3hlm h ARG 170 CO 0.10 -0.22 0.61 -0.44 2.80 0.00 0.00 179.97 182.83 3hlm h ASP 171 N -0.35 0.50 0.43 -3.80 5.19 -1.15 1.26 116.42 118.50 3hlm h ASP 171 Ca -0.04 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3hlm h ASP 171 Cb 0.27 0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3hlm h ASP 171 CO 0.06 -0.09 0.00 0.00 -3.12 0.00 0.00 179.24 176.09 3hlm h ALA 172 N 1.79 1.00 0.00 3.45 0.00 -0.79 -3.46 119.26 121.25 3hlm h ALA 172 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.63 3hlm h ALA 172 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3hlm h ALA 172 CO -0.54 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.12 3hlm n GLY 173 N -0.56 1.18 3.94 0.00 0.00 0.43 -4.72 105.19 105.46 3hlm n GLY 173 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 3hlm n GLY 173 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hlm s MET 174 N -1.11 2.40 0.04 1.61 -1.94 0.55 -4.92 119.30 115.94 3hlm s MET 174 Ca 0.00 -1.71 0.06 0.00 -1.71 0.00 0.00 55.69 52.33 3hlm s MET 174 Cb 0.00 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 3hlm s MET 174 CO 0.00 -0.52 -0.13 -0.65 -0.01 0.00 0.00 175.02 173.70 3hlm s GLN 175 N -4.34 2.23 -0.10 2.03 -1.52 0.16 -4.09 119.66 114.03 3hlm s GLN 175 Ca 0.48 -0.91 -0.03 0.00 -1.95 0.00 0.00 55.36 52.95 3hlm s GLN 175 Cb -0.04 -2.30 -0.03 0.00 -0.22 0.00 0.00 33.01 30.41 3hlm s GLN 175 CO 0.29 0.55 0.03 -0.51 -0.25 0.00 0.00 175.29 175.41 3hlm s LEU 176 N -1.55 3.76 0.00 2.90 2.01 -1.26 0.63 118.68 125.17 3hlm s LEU 176 Ca 0.16 0.21 0.02 0.00 0.01 0.00 0.00 54.13 54.53 3hlm s LEU 176 Cb -0.11 -1.87 -0.01 0.00 0.01 0.00 0.00 46.19 44.21 3hlm s LEU 176 CO 0.07 0.38 0.07 0.00 1.01 0.00 0.00 176.35 177.88 3hlm n GLN 177 N 2.15 0.73 -4.05 1.70 1.13 -0.74 -4.91 117.38 113.39 3hlm n GLN 177 Ca -0.19 -1.51 -0.10 0.00 -1.94 0.00 0.00 57.00 53.26 3hlm n GLN 177 Cb 0.54 0.85 -0.08 0.00 0.11 0.00 0.00 30.24 31.66 3hlm n GLN 177 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3hlm s GLY 178 N -2.09 0.72 0.00 1.08 0.00 -1.26 -1.91 107.32 103.86 3hlm s GLY 178 Ca 0.10 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.67 3hlm s GLY 178 CO 0.07 -1.08 -0.04 -2.52 0.00 0.00 0.00 173.10 169.53 3hlm s TYR 179 N -4.01 0.35 -0.01 1.90 1.13 -0.37 -4.81 117.35 111.54 3hlm s TYR 179 Ca 0.21 -0.12 -0.35 0.00 -1.41 0.00 0.00 57.07 55.40 3hlm s TYR 179 Cb 0.05 -0.23 -0.13 0.00 -1.10 0.00 0.00 41.96 40.56 3hlm s TYR 179 CO 0.01 -0.02 1.73 0.54 -2.51 0.00 0.00 175.55 175.30 3hlm n ARG 180 N 2.80 2.01 0.03 -3.49 1.74 -1.26 -0.76 116.66 117.72 3hlm n ARG 180 Ca -0.14 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 3hlm n ARG 180 Cb 0.58 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 3hlm n ARG 180 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3hlm n TYR 181 N 5.14 -0.40 -2.11 -1.55 9.36 -1.20 -2.85 117.16 123.55 3hlm n TYR 181 Ca 0.21 0.07 -0.42 0.00 3.32 0.00 0.00 57.90 61.08 3hlm n TYR 181 Cb 0.27 0.28 -0.03 0.00 -0.63 0.00 0.00 39.34 39.23 3hlm n TYR 181 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3hlm s TYR 182 N -1.29 3.19 -0.44 2.98 5.04 -0.25 -0.13 117.35 126.44 3hlm s TYR 182 Ca 0.00 0.86 -0.16 0.00 -2.44 0.00 0.00 57.07 55.33 3hlm s TYR 182 Cb 0.00 -3.75 0.04 0.00 0.35 0.00 0.00 41.96 38.60 3hlm s TYR 182 CO 0.00 -2.67 0.39 0.34 -1.34 0.00 0.00 175.55 172.27 3hlm s ASP 183 N 1.13 6.15 0.45 4.32 -1.08 0.99 -4.68 116.67 123.94 3hlm s ASP 183 Ca 0.66 -0.99 0.29 0.00 -0.52 0.00 0.00 52.55 51.99 3hlm s ASP 183 Cb -0.39 -2.19 0.98 0.00 -1.46 0.00 0.00 42.92 39.86 3hlm s ASP 183 CO 0.30 -0.58 1.82 1.55 0.52 0.00 0.00 175.17 178.78 3hlm h PRO 184 N 8.73 0.00 0.00 4.34 0.13 -1.95 0.86 132.00 144.11 3hlm h PRO 184 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.70 3hlm h PRO 184 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3hlm h PRO 184 CO 0.81 0.00 -0.73 0.87 -0.23 0.00 0.00 178.00 178.73 3hlm h LYS 185 N 0.00 0.00 0.00 0.86 1.57 -1.95 -3.33 116.57 113.72 3hlm h LYS 185 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hlm h LYS 185 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3hlm h LYS 185 CO 0.00 0.73 0.00 0.25 -0.57 0.00 0.00 179.45 179.86 3hlm n THR 186 N -3.33 0.00 -2.61 -0.16 -2.24 -1.07 -5.00 114.28 99.87 3hlm n THR 186 Ca 0.01 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.11 3hlm n THR 186 Cb 0.81 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 3hlm n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hlm n GLY 188 N -1.06 5.58 3.64 0.00 0.00 -1.15 -4.86 105.19 107.35 3hlm n GLY 188 Ca -0.17 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3hlm n GLY 188 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hlm s PHE 189 N -0.66 3.30 -1.04 1.61 5.36 -1.26 -0.01 117.98 125.28 3hlm s PHE 189 Ca 0.00 1.20 -0.21 0.00 -0.96 0.00 0.00 56.93 56.96 3hlm s PHE 189 Cb 0.00 -3.16 0.08 0.00 -0.34 0.00 0.00 43.02 39.60 3hlm s PHE 189 CO 0.00 -0.45 1.41 0.34 -1.46 0.00 0.00 175.22 175.05 3hlm s ASP 190 N 1.34 6.61 0.06 6.13 2.15 0.81 -4.79 116.67 128.98 3hlm s ASP 190 Ca 0.38 -1.80 -0.20 0.00 0.43 0.00 0.00 52.55 51.35 3hlm s ASP 190 Cb -0.15 -2.52 -0.11 0.00 -0.30 0.00 0.00 42.92 39.84 3hlm s ASP 190 CO 0.08 -1.32 1.46 0.15 -0.17 0.00 0.00 175.17 175.37 3hlm h PHE 191 N 9.14 0.40 -0.46 -5.34 3.57 -1.92 -1.26 116.94 121.08 3hlm h PHE 191 Ca 0.23 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 3hlm h PHE 191 Cb 0.99 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3hlm h PHE 191 CO 1.26 0.61 -0.10 0.66 -2.23 0.00 0.00 178.31 178.51 3hlm h SER 192 N 0.08 0.82 -0.36 0.41 4.64 -1.97 -0.02 113.55 117.15 3hlm h SER 192 Ca 0.05 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 3hlm h SER 192 Cb 0.48 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3hlm h SER 192 CO 0.02 0.94 -0.01 1.23 -0.87 0.00 0.00 176.83 178.14 3hlm h GLY 193 N 0.97 0.69 0.98 -0.77 0.00 -1.88 -1.54 103.07 101.52 3hlm h GLY 193 Ca 0.13 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hlm h GLY 193 CO 0.04 0.48 0.15 0.00 0.00 0.00 0.00 176.54 177.20 3hlm h ALA 194 N 0.86 0.30 -0.13 3.60 0.00 -0.82 -1.20 119.26 121.87 3hlm h ALA 194 Ca 0.10 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3hlm h ALA 194 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hlm h ALA 194 CO 0.02 -0.20 -0.53 1.25 0.00 0.00 0.00 179.25 179.79 3hlm h LEU 195 N 0.30 0.40 -0.03 0.00 5.85 -0.94 0.41 115.31 121.31 3hlm h LEU 195 Ca 0.09 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3hlm h LEU 195 Cb 0.00 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3hlm h LEU 195 CO -0.02 0.85 0.01 -0.08 -0.34 0.00 0.00 178.44 178.86 3hlm h GLU 196 N 0.28 0.04 -0.18 1.25 4.81 -1.10 -1.35 114.58 118.33 3hlm h GLU 196 Ca 0.01 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3hlm h GLU 196 Cb 1.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3hlm h GLU 196 CO 0.09 0.26 0.06 -0.44 -0.73 0.00 0.00 179.01 178.25 3hlm h ASP 197 N -0.18 0.08 -0.57 1.04 3.32 -0.87 -2.65 116.42 116.59 3hlm h ASP 197 Ca 0.01 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3hlm h ASP 197 Cb 0.23 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3hlm h ASP 197 CO 0.00 0.07 0.06 0.40 -1.72 0.00 0.00 179.24 178.05 3hlm h ILE 198 N 0.15 1.26 0.00 0.35 2.04 -0.19 -0.69 117.51 120.44 3hlm h ILE 198 Ca 0.08 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3hlm h ILE 198 Cb 0.04 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3hlm h ILE 198 CO -0.08 0.38 0.00 -1.54 0.00 0.00 0.00 178.15 176.92 3hlm n SER 199 N -4.21 0.00 -0.46 1.72 3.41 -0.51 -2.25 113.62 111.32 3hlm n SER 199 Ca 0.04 0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.78 3hlm n SER 199 Cb 0.30 -0.31 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3hlm n SER 199 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hlm n LYS 200 N -1.31 1.59 -1.76 4.33 5.02 -0.31 -4.98 118.16 120.74 3hlm n LYS 200 Ca 0.09 -1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 54.94 3hlm n LYS 200 Cb 0.17 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3hlm n LYS 200 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hlm s ILE 201 N -1.79 2.08 0.25 -0.18 1.01 -0.94 -4.87 121.20 116.75 3hlm s ILE 201 Ca 0.15 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 3hlm s ILE 201 Cb 0.14 -3.04 -0.14 0.00 0.01 0.00 0.00 42.46 39.43 3hlm s ILE 201 CO 0.36 0.01 1.28 -2.65 0.00 0.00 0.00 174.94 173.93 3hlm n PRO 202 N 3.43 1.78 -1.65 2.79 -0.02 -1.26 -4.86 135.00 135.20 3hlm n PRO 202 Ca 0.13 0.63 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 3hlm n PRO 202 Cb 0.36 -2.20 0.05 0.00 -0.02 0.00 0.00 33.50 31.69 3hlm n PRO 202 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3hlm n GLU 203 N 1.54 1.11 -2.09 -0.52 0.28 -1.26 -2.34 120.64 117.35 3hlm n GLU 203 Ca 0.11 0.42 -0.19 0.00 -0.16 0.00 0.00 57.16 57.34 3hlm n GLU 203 Cb 0.31 -2.27 -0.03 0.00 1.43 0.00 0.00 31.44 30.88 3hlm n GLU 203 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3hlm n GLN 204 N -0.99 -1.47 -2.20 3.44 6.02 -0.88 -5.01 117.38 116.29 3hlm n GLN 204 Ca 0.13 1.01 -0.26 0.00 -0.01 0.00 0.00 57.00 57.87 3hlm n GLN 204 Cb 0.46 -5.50 0.06 0.00 1.02 0.00 0.00 30.24 26.28 3hlm n GLN 204 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3hlm s SER 205 N -2.35 4.95 -0.07 1.08 0.01 -0.99 -4.27 113.70 112.05 3hlm s SER 205 Ca 0.00 0.55 -0.16 0.00 1.31 0.00 0.00 55.95 57.65 3hlm s SER 205 Cb 0.00 -1.25 -0.05 0.00 0.21 0.00 0.00 66.02 64.93 3hlm s SER 205 CO 0.00 -1.52 0.42 -0.69 0.41 0.00 0.00 173.24 171.86 3hlm s VAL 206 N -3.23 5.13 -0.20 3.43 1.01 -1.00 -0.67 120.40 124.87 3hlm s VAL 206 Ca 0.59 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 3hlm s VAL 206 Cb -0.11 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 3hlm s VAL 206 CO 0.45 0.45 -0.09 -0.22 0.00 0.00 0.00 175.10 175.69 3hlm s LEU 207 N -0.15 2.69 -0.10 3.92 2.96 0.12 -1.37 118.68 126.76 3hlm s LEU 207 Ca 0.24 -0.45 -0.16 0.00 -0.22 0.00 0.00 54.13 53.54 3hlm s LEU 207 Cb -0.16 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3hlm s LEU 207 CO 0.11 0.00 0.41 -0.22 -1.32 0.00 0.00 176.35 175.33 3hlm s LEU 208 N 1.32 4.32 -0.04 -0.68 0.20 0.41 -1.22 118.68 122.99 3hlm s LEU 208 Ca 0.04 0.77 0.01 0.00 0.69 0.00 0.00 54.13 55.64 3hlm s LEU 208 Cb -0.14 -2.59 0.02 0.00 -0.43 0.00 0.00 46.19 43.06 3hlm s LEU 208 CO -0.05 0.11 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.32 3hlm s LEU 209 N 0.16 1.31 -0.02 -0.68 1.43 -0.48 -4.39 118.68 116.01 3hlm s LEU 209 Ca 0.23 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 3hlm s LEU 209 Cb -0.15 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 3hlm s LEU 209 CO 0.09 -0.06 1.03 -1.00 0.23 0.00 0.00 176.35 176.64 3hlm s HIS 210 N 0.92 3.57 0.24 0.29 3.76 -1.26 -0.73 115.29 122.08 3hlm s HIS 210 Ca -0.11 1.60 0.29 0.00 -0.15 0.00 0.00 55.06 56.69 3hlm s HIS 210 Cb -0.14 -3.19 1.30 0.00 1.11 0.00 0.00 32.58 31.66 3hlm s HIS 210 CO -0.00 -0.29 1.98 0.00 -0.85 0.00 0.00 174.74 175.57 3hlm h ALA 211 N 6.90 1.08 0.00 -1.40 0.00 -1.30 -3.46 119.26 121.09 3hlm h ALA 211 Ca -0.38 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hlm h ALA 211 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hlm h ALA 211 CO 0.79 0.15 0.00 0.00 0.00 0.00 0.00 179.25 180.19 3hlm n ALA 213 N -0.66 -2.61 -1.69 0.00 0.00 -1.26 -4.69 120.51 109.60 3hlm n ALA 213 Ca 0.00 -0.41 -0.61 0.00 0.00 0.00 0.00 53.44 52.42 3hlm n ALA 213 Cb 0.00 -3.05 -0.08 0.00 0.00 0.00 0.00 19.45 16.31 3hlm n ALA 213 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hlm n HIS 214 N -4.44 1.75 -3.68 0.00 -0.00 -1.26 -4.82 115.22 102.77 3hlm n HIS 214 Ca -0.12 0.83 -0.36 0.00 0.46 0.00 0.00 57.72 58.53 3hlm n HIS 214 Cb 0.58 -2.32 -0.09 0.00 -0.12 0.00 0.00 29.99 28.04 3hlm n HIS 214 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3hlm s ASN 215 N 2.68 6.16 0.00 0.26 3.84 -1.26 -0.45 114.94 126.17 3hlm s ASN 215 Ca 0.99 0.17 0.24 0.00 0.21 0.00 0.00 52.86 54.46 3hlm s ASN 215 Cb -1.24 -2.10 0.28 0.00 -0.55 0.00 0.00 41.25 37.63 3hlm s ASN 215 CO 0.69 0.10 1.28 -0.81 -2.79 0.00 0.00 177.10 175.57 3hlm n PRO 216 N 4.02 1.54 0.01 0.43 -0.04 -1.26 -2.48 135.00 137.22 3hlm n PRO 216 Ca -0.15 -1.20 0.04 0.00 -0.04 0.00 0.00 63.50 62.15 3hlm n PRO 216 Cb 0.52 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 3hlm n PRO 216 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hlm n THR 217 N 0.32 0.71 -0.97 0.52 -2.24 -1.09 -3.88 114.28 107.65 3hlm n THR 217 Ca 0.12 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3hlm n THR 217 Cb 0.48 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3hlm n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hlm n GLY 218 N 1.37 0.78 3.63 3.38 0.00 0.41 -2.30 105.19 112.46 3hlm n GLY 218 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3hlm n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hlm s VAL 219 N -3.18 5.13 0.10 1.61 1.01 -1.26 0.73 120.40 124.54 3hlm s VAL 219 Ca 0.00 0.75 0.09 0.00 0.00 0.00 0.00 61.98 62.83 3hlm s VAL 219 Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3hlm s VAL 219 CO 0.00 0.15 -0.24 -1.81 0.00 0.00 0.00 175.10 173.20 3hlm s ASP 220 N 1.43 2.91 0.84 3.32 1.11 -1.26 -4.30 116.67 120.73 3hlm s ASP 220 Ca 0.19 -0.67 -0.11 0.00 0.18 0.00 0.00 52.55 52.14 3hlm s ASP 220 Cb -0.15 -0.20 0.10 0.00 1.07 0.00 0.00 42.92 43.73 3hlm s ASP 220 CO 0.09 0.15 1.10 -2.84 1.18 0.00 0.00 175.17 174.85 3hlm s PRO 221 N -1.76 1.68 0.30 8.23 0.02 -1.26 -4.90 135.00 137.32 3hlm s PRO 221 Ca 0.10 1.12 -0.02 0.00 0.02 0.00 0.00 61.00 62.22 3hlm s PRO 221 Cb -0.10 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3hlm s PRO 221 CO 0.04 -2.03 0.53 1.03 -0.33 0.00 0.00 177.00 176.24 3hlm s ARG 222 N -4.86 3.55 0.26 5.54 0.52 -1.26 -4.84 118.95 117.86 3hlm s ARG 222 Ca 0.63 -0.18 -0.08 0.00 -0.52 0.00 0.00 55.73 55.57 3hlm s ARG 222 Cb -0.18 -2.68 0.43 0.00 0.52 0.00 0.00 34.95 33.04 3hlm s ARG 222 CO 0.57 0.21 1.59 -1.35 0.02 0.00 0.00 175.30 176.34 3hlm h PRO 223 N 1.34 0.01 -0.96 3.54 0.11 -1.99 0.63 132.00 134.68 3hlm h PRO 223 Ca -0.48 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.75 3hlm h PRO 223 Cb 1.20 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 3hlm h PRO 223 CO 0.64 0.01 0.61 0.93 -0.21 0.00 0.00 178.00 179.98 3hlm h GLU 224 N 0.01 0.88 0.09 1.05 5.08 -2.00 -0.93 114.58 118.76 3hlm h GLU 224 Ca 0.44 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.48 3hlm h GLU 224 Cb 0.72 -0.20 0.03 0.00 0.50 0.00 0.00 28.75 29.80 3hlm h GLU 224 CO -0.87 0.58 -1.12 1.96 -1.00 0.00 0.00 179.01 178.56 3hlm h GLN 225 N 0.90 0.59 -0.94 2.33 4.20 -0.26 -3.16 115.11 118.77 3hlm h GLN 225 Ca 0.48 -0.76 0.19 0.00 0.06 0.00 0.00 58.65 58.61 3hlm h GLN 225 Cb 0.54 0.25 -0.11 0.00 0.30 0.00 0.00 27.48 28.46 3hlm h GLN 225 CO -0.24 1.34 0.53 -1.49 -0.67 0.00 0.00 178.83 178.29 3hlm h TRP 226 N 0.21 0.92 -0.21 2.96 -0.00 -0.13 -0.21 115.95 119.48 3hlm h TRP 226 Ca -0.17 0.04 0.05 0.00 -0.00 0.00 0.00 58.89 58.81 3hlm h TRP 226 Cb 1.80 -0.26 -0.05 0.00 -0.00 0.00 0.00 29.16 30.65 3hlm h TRP 226 CO 0.12 0.16 -0.10 0.87 -0.00 0.00 0.00 178.44 179.49 3hlm h LYS 227 N 0.65 -0.08 0.00 0.49 1.57 -1.15 -0.97 116.57 117.09 3hlm h LYS 227 Ca 0.55 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 59.20 3hlm h LYS 227 Cb 0.89 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 3hlm h LYS 227 CO -0.41 -0.05 -0.64 0.93 -0.57 0.00 0.00 179.45 178.71 3hlm h GLU 228 N -0.08 0.00 0.02 3.15 4.39 -1.16 -1.63 114.58 119.27 3hlm h GLU 228 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3hlm h GLU 228 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3hlm h GLU 228 CO -0.26 0.64 -0.01 0.82 -1.16 0.00 0.00 179.01 179.05 3hlm h ILE 229 N 0.00 1.00 -0.73 3.13 2.04 -0.85 -2.36 117.51 119.73 3hlm h ILE 229 Ca -0.01 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.92 3hlm h ILE 229 Cb 1.14 1.05 -0.09 0.00 -0.74 0.00 0.00 36.82 38.18 3hlm h ILE 229 CO 0.08 0.02 0.30 0.00 0.00 0.00 0.00 178.15 178.55 3hlm h ALA 230 N 0.92 1.02 -0.46 1.87 0.00 -0.55 0.14 119.26 122.20 3hlm h ALA 230 Ca -0.00 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hlm h ALA 230 Cb 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hlm h ALA 230 CO 0.00 -0.18 0.05 1.03 0.00 0.00 0.00 179.25 180.15 3hlm h SER 231 N 0.47 0.69 0.06 0.00 0.87 -1.26 0.17 113.55 114.54 3hlm h SER 231 Ca 0.39 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3hlm h SER 231 Cb 0.56 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3hlm h SER 231 CO -0.37 0.72 -0.03 0.58 -0.53 0.00 0.00 176.83 177.20 3hlm h VAL 232 N 0.69 1.21 -0.50 2.23 2.07 -0.37 -1.56 116.25 120.03 3hlm h VAL 232 Ca 0.15 -0.97 0.10 0.00 0.82 0.00 0.00 66.70 66.79 3hlm h VAL 232 Cb 0.35 1.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 3hlm h VAL 232 CO 0.01 0.24 -0.26 0.58 0.02 0.00 0.00 177.57 178.16 3hlm h VAL 233 N -0.52 0.29 -0.20 2.57 2.07 -0.52 0.67 116.25 120.62 3hlm h VAL 233 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3hlm h VAL 233 Cb 0.46 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3hlm h VAL 233 CO 0.01 0.00 -0.03 0.50 0.02 0.00 0.00 177.57 178.07 3hlm h LYS 234 N -0.14 0.02 -0.48 1.57 3.64 -0.73 -0.84 116.57 119.62 3hlm h LYS 234 Ca 0.23 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3hlm h LYS 234 Cb 0.50 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3hlm h LYS 234 CO -0.59 0.01 0.05 -0.22 -2.27 0.00 0.00 179.45 176.44 3hlm h LYS 235 N 0.02 0.81 -0.01 1.90 3.64 -0.20 -2.51 116.57 120.23 3hlm h LYS 235 Ca 0.09 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3hlm h LYS 235 Cb 0.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hlm h LYS 235 CO -0.19 0.83 -0.00 1.63 -2.27 0.00 0.00 179.45 179.45 3hlm n LYS 236 N -4.41 1.37 -3.43 1.90 4.76 0.13 -4.95 118.16 113.54 3hlm n LYS 236 Ca 0.01 -0.56 -0.17 0.00 -2.87 0.00 0.00 58.31 54.71 3hlm n LYS 236 Cb 0.27 -1.49 0.09 0.00 -1.84 0.00 0.00 35.03 32.06 3hlm n LYS 236 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3hlm n ASN 237 N -0.32 -2.34 -4.87 4.39 5.15 -0.42 -3.38 115.26 113.46 3hlm n ASN 237 Ca 0.21 -0.61 -0.31 0.00 -0.60 0.00 0.00 54.58 53.27 3hlm n ASN 237 Cb 0.26 -5.08 -0.05 0.00 -0.53 0.00 0.00 39.78 34.38 3hlm n ASN 237 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hlm s LEU 238 N -6.39 4.01 -0.13 1.20 1.43 -0.59 -2.08 118.68 116.13 3hlm s LEU 238 Ca 0.04 1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.05 3hlm s LEU 238 Cb -0.02 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 3hlm s LEU 238 CO 0.72 -0.24 0.46 0.12 0.23 0.00 0.00 176.35 177.64 3hlm s PHE 239 N -2.09 3.49 -0.22 0.29 5.36 0.16 -4.84 117.98 120.12 3hlm s PHE 239 Ca 0.50 0.84 -0.08 0.00 -0.96 0.00 0.00 56.93 57.23 3hlm s PHE 239 Cb -0.10 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 40.00 3hlm s PHE 239 CO 0.24 0.14 0.09 0.00 -1.46 0.00 0.00 175.22 174.23 3hlm s ALA 240 N 0.73 3.36 -0.26 11.12 0.00 -1.26 0.14 121.76 135.59 3hlm s ALA 240 Ca 0.25 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3hlm s ALA 240 Cb -0.15 -2.06 0.06 0.00 0.00 0.00 0.00 23.12 20.97 3hlm s ALA 240 CO 0.09 -0.14 -0.11 0.12 0.00 0.00 0.00 175.76 175.72 3hlm s PHE 241 N 0.97 3.25 -0.15 0.00 5.36 -0.36 -2.20 117.98 124.85 3hlm s PHE 241 Ca 0.05 -2.31 -0.07 0.00 -0.96 0.00 0.00 56.93 53.64 3hlm s PHE 241 Cb -0.14 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.58 3hlm s PHE 241 CO 0.03 -0.88 0.11 -0.06 -1.46 0.00 0.00 175.22 172.96 3hlm s PHE 242 N 1.11 3.45 -0.23 10.12 0.40 -0.75 -1.38 117.98 130.69 3hlm s PHE 242 Ca -0.09 0.37 -0.06 0.00 -0.60 0.00 0.00 56.93 56.56 3hlm s PHE 242 Cb -0.20 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 3hlm s PHE 242 CO -0.05 0.51 0.02 0.34 0.70 0.00 0.00 175.22 176.73 3hlm s ASP 243 N -0.45 4.78 -0.47 1.36 -1.08 0.09 -1.16 116.67 119.74 3hlm s ASP 243 Ca 0.11 -0.27 0.03 0.00 -0.52 0.00 0.00 52.55 51.90 3hlm s ASP 243 Cb -0.12 -1.84 0.15 0.00 -1.46 0.00 0.00 42.92 39.66 3hlm s ASP 243 CO 0.02 -0.01 0.30 -0.32 0.52 0.00 0.00 175.17 175.68 3hlm s MET 244 N 1.42 1.33 0.00 4.34 -2.45 -0.27 -0.73 119.30 122.95 3hlm s MET 244 Ca 0.05 -2.19 0.24 0.00 -1.25 0.00 0.00 55.69 52.54 3hlm s MET 244 Cb -0.15 -2.21 0.26 0.00 1.25 0.00 0.00 34.83 33.99 3hlm s MET 244 CO 0.01 -1.24 1.29 0.00 1.05 0.00 0.00 175.02 176.12 3hlm n ALA 245 N 3.16 2.76 -1.09 4.11 0.00 -1.26 -2.87 120.51 125.32 3hlm n ALA 245 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3hlm n ALA 245 Cb 0.38 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3hlm n ALA 245 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hlm n TYR 246 N 0.81 0.00 -1.69 0.00 4.01 -1.26 -4.57 117.16 114.46 3hlm n TYR 246 Ca 0.13 -0.09 -0.66 0.00 -0.16 0.00 0.00 57.90 57.13 3hlm n TYR 246 Cb 0.53 -0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.44 3hlm n TYR 246 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 3hlm n GLN 247 N -0.10 0.00 0.00 -0.72 7.27 -1.26 -0.92 117.38 121.65 3hlm n GLN 247 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3hlm n GLN 247 Cb 0.52 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.71 3hlm n GLN 247 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hlm n GLY 248 N 3.86 2.20 0.19 1.69 0.00 -1.26 -4.65 105.19 107.22 3hlm n GLY 248 Ca 0.30 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 3hlm n GLY 248 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hlm h PHE 249 N 0.00 0.45 0.28 1.61 3.57 -1.57 0.15 116.94 121.44 3hlm h PHE 249 Ca 0.00 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 3hlm h PHE 249 Cb 0.00 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3hlm h PHE 249 CO 0.00 0.81 -0.20 0.00 -2.23 0.00 0.00 178.31 176.69 3hlm h ALA 250 N 1.16 -1.00 -0.01 2.41 0.00 -1.29 -3.37 119.26 117.15 3hlm h ALA 250 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hlm h ALA 250 Cb 1.02 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hlm h ALA 250 CO 0.09 -1.00 -0.03 -1.13 0.00 0.00 0.00 179.25 177.18 3hlm n SER 251 N -3.56 1.41 0.00 0.00 3.41 -1.25 -4.10 113.62 109.53 3hlm n SER 251 Ca -0.06 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 3hlm n SER 251 Cb 0.20 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3hlm n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hlm n GLY 252 N 0.47 2.73 3.18 5.00 0.00 0.51 -4.84 105.19 112.23 3hlm n GLY 252 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3hlm n GLY 252 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hlm s ASP 253 N -1.66 5.35 0.23 1.61 -1.08 -1.25 -4.43 116.67 115.44 3hlm s ASP 253 Ca 0.00 -1.75 -0.06 0.00 -0.52 0.00 0.00 52.55 50.21 3hlm s ASP 253 Cb 0.00 -1.87 0.37 0.00 -1.46 0.00 0.00 42.92 39.96 3hlm s ASP 253 CO 0.00 -0.51 1.76 1.23 0.52 0.00 0.00 175.17 178.17 3hlm h GLY 254 N 8.18 1.08 1.29 2.66 0.00 -1.91 -0.28 103.07 114.08 3hlm h GLY 254 Ca -0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3hlm h GLY 254 CO 0.70 0.00 0.03 -0.55 0.00 0.00 0.00 176.54 176.73 3hlm h ASP 255 N 0.54 0.83 -0.05 0.19 3.32 -1.94 -2.33 116.42 116.98 3hlm h ASP 255 Ca 0.37 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3hlm h ASP 255 Cb 0.45 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3hlm h ASP 255 CO -0.31 0.87 -0.00 0.11 -1.72 0.00 0.00 179.24 178.19 3hlm h LYS 256 N 0.81 0.09 -0.82 3.56 1.79 -1.55 -3.04 116.57 117.42 3hlm h LYS 256 Ca 0.16 -0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.71 3hlm h LYS 256 Cb 0.44 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.00 3hlm h LYS 256 CO 0.02 0.40 0.45 -0.44 -1.08 0.00 0.00 179.45 178.79 3hlm h ASP 257 N -0.22 0.60 -0.26 0.86 3.32 -1.13 -1.03 116.42 118.56 3hlm h ASP 257 Ca 0.01 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3hlm h ASP 257 Cb 0.36 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3hlm h ASP 257 CO 0.00 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 3hlm n ALA 258 N -2.40 2.54 -0.09 3.45 0.00 -0.88 -4.53 120.51 118.62 3hlm n ALA 258 Ca 0.15 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 3hlm n ALA 258 Cb 0.33 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 3hlm n ALA 258 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3hlm h TRP 259 N 1.56 0.64 -0.16 0.00 7.01 -1.06 -2.03 115.95 121.92 3hlm h TRP 259 Ca 0.00 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 60.83 3hlm h TRP 259 Cb 0.47 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3hlm h TRP 259 CO 0.22 0.83 0.09 0.00 -2.79 0.00 0.00 178.44 176.78 3hlm h ALA 260 N 0.71 0.20 -0.32 2.65 0.00 -1.79 0.07 119.26 120.77 3hlm h ALA 260 Ca 0.05 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hlm h ALA 260 Cb 0.67 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3hlm h ALA 260 CO 0.04 -0.27 -0.26 0.28 0.00 0.00 0.00 179.25 179.04 3hlm h VAL 261 N 0.16 0.35 -0.68 0.00 2.07 -1.83 0.59 116.25 116.90 3hlm h VAL 261 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 3hlm h VAL 261 Cb 0.06 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 3hlm h VAL 261 CO -0.01 0.00 0.32 0.03 0.02 0.00 0.00 177.57 177.93 3hlm h ARG 262 N -0.23 0.54 -0.41 1.57 3.08 -1.24 -1.57 114.38 116.12 3hlm h ARG 262 Ca 0.16 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 3hlm h ARG 262 Cb 0.48 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3hlm h ARG 262 CO -0.45 0.36 -0.23 1.25 -1.07 0.00 0.00 179.97 179.83 3hlm h HIS 263 N 0.56 1.03 -0.94 3.04 2.76 -0.15 -0.02 115.15 121.42 3hlm h HIS 263 Ca 0.33 -0.26 0.06 0.00 -2.20 0.00 0.00 60.37 58.30 3hlm h HIS 263 Cb 0.35 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 3hlm h HIS 263 CO -0.12 1.05 0.60 0.74 -1.30 0.00 0.00 177.93 178.91 3hlm h PHE 264 N 0.70 1.12 -0.71 5.26 -1.00 -0.53 0.23 116.94 122.01 3hlm h PHE 264 Ca 0.09 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.84 3hlm h PHE 264 Cb 0.80 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 3hlm h PHE 264 CO 0.06 0.59 0.20 0.82 -1.61 0.00 0.00 178.31 178.37 3hlm h ILE 265 N 1.12 1.26 -0.13 -0.55 2.04 -0.58 -0.62 117.51 120.04 3hlm h ILE 265 Ca 0.40 -0.92 -0.14 0.00 1.00 0.00 0.00 64.86 65.20 3hlm h ILE 265 Cb 0.13 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3hlm h ILE 265 CO -0.16 0.36 -0.52 -0.08 0.00 0.00 0.00 178.15 177.75 3hlm h GLU 266 N 1.07 0.37 -0.07 2.37 4.81 -0.28 0.76 114.58 123.60 3hlm h GLU 266 Ca 0.23 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hlm h GLU 266 Cb 0.33 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hlm h GLU 266 CO -0.00 0.80 0.00 1.04 -0.73 0.00 0.00 179.01 180.11 3hlm n GLN 267 N -3.95 0.80 -2.10 1.92 1.13 0.75 -4.83 117.38 111.10 3hlm n GLN 267 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3hlm n GLN 267 Cb 0.57 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.88 3hlm n GLN 267 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hlm n GLY 268 N 0.28 0.85 3.35 1.08 0.00 0.26 -5.02 105.19 105.99 3hlm n GLY 268 Ca 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3hlm n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hlm s ILE 269 N -2.64 3.88 -1.18 -0.61 1.01 -0.27 -5.03 121.20 116.37 3hlm s ILE 269 Ca 0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 3hlm s ILE 269 Cb 0.00 -2.93 0.04 0.00 0.01 0.00 0.00 42.46 39.58 3hlm s ILE 269 CO 0.00 0.19 1.68 0.20 0.00 0.00 0.00 174.94 177.01 3hlm s ASN 270 N 1.51 6.48 1.09 3.58 0.01 -1.26 -4.00 114.94 122.35 3hlm s ASN 270 Ca 0.04 -1.97 -0.16 0.00 -0.71 0.00 0.00 52.86 50.05 3hlm s ASN 270 Cb -0.16 -2.58 0.23 0.00 0.41 0.00 0.00 41.25 39.16 3hlm s ASN 270 CO 0.01 -1.53 1.13 0.68 -1.51 0.00 0.00 177.10 175.88 3hlm s VAL 271 N 5.40 1.80 0.40 1.60 -7.23 -1.26 -4.70 120.40 116.40 3hlm s VAL 271 Ca 0.54 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.76 3hlm s VAL 271 Cb 0.02 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 3hlm s VAL 271 CO 0.02 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.84 3hlm s LEU 273 N -3.66 -0.39 -0.13 0.00 2.96 0.33 -1.81 118.68 115.98 3hlm s LEU 273 Ca 0.31 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.48 3hlm s LEU 273 Cb 0.08 2.13 -0.01 0.00 0.50 0.00 0.00 46.19 48.90 3hlm s LEU 273 CO 0.15 -0.22 -0.16 0.00 -1.32 0.00 0.00 176.35 174.81 3hlm s GLN 275 N 0.48 1.73 0.05 0.00 -0.21 -0.37 -1.11 119.66 120.23 3hlm s GLN 275 Ca -0.11 -1.16 0.07 0.00 0.02 0.00 0.00 55.36 54.18 3hlm s GLN 275 Cb -0.16 -2.00 -0.02 0.00 1.00 0.00 0.00 33.01 31.82 3hlm s GLN 275 CO 0.05 0.50 -0.19 0.45 -2.12 0.00 0.00 175.29 173.97 3hlm s SER 276 N -1.56 2.27 -0.06 5.90 0.15 -1.14 -2.08 113.70 117.18 3hlm s SER 276 Ca 0.13 -0.51 0.11 0.00 0.70 0.00 0.00 55.95 56.38 3hlm s SER 276 Cb -0.10 -0.18 0.31 0.00 -1.71 0.00 0.00 66.02 64.34 3hlm s SER 276 CO 0.04 0.12 1.24 -1.22 1.20 0.00 0.00 173.24 174.62 3hlm n TYR 277 N 1.82 0.45 0.20 3.44 4.02 0.08 -4.68 117.16 122.49 3hlm n TYR 277 Ca -0.17 -0.66 0.02 0.00 -0.01 0.00 0.00 57.90 57.07 3hlm n TYR 277 Cb 0.54 -0.12 0.10 0.00 -0.02 0.00 0.00 39.34 39.83 3hlm n TYR 277 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hlm n ALA 278 N -0.19 1.50 0.00 -0.72 0.00 -1.26 -2.69 120.51 117.15 3hlm n ALA 278 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hlm n ALA 278 Cb 0.55 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3hlm n ALA 278 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hlm n ASN 280 N -1.15 0.00 0.00 0.00 0.23 -1.26 -1.93 115.26 111.15 3hlm n ASN 280 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 3hlm n ASN 280 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 3hlm n ASN 280 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3hlm n MET 281 N 0.00 0.24 -2.55 -3.83 2.81 -1.16 -4.81 117.12 107.82 3hlm n MET 281 Ca 0.00 -0.79 -0.16 0.00 -1.81 0.00 0.00 57.70 54.94 3hlm n MET 281 Cb 0.00 -0.98 0.01 0.00 -0.71 0.00 0.00 33.22 31.54 3hlm n MET 281 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hlm n GLY 282 N -0.15 -0.26 1.22 3.03 0.00 -0.87 -4.67 105.19 103.49 3hlm n GLY 282 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.95 3hlm n GLY 282 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hlm n LEU 283 N -2.68 3.57 0.00 0.99 4.77 -0.81 -4.85 117.00 117.99 3hlm n LEU 283 Ca -0.14 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 3hlm n LEU 283 Cb 0.62 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3hlm n LEU 283 CO 0.29 0.73 0.00 -1.22 -1.33 0.00 0.00 177.39 175.85 3hlm n TYR 284 N 1.04 0.00 1.55 -1.77 4.01 -1.17 0.10 117.16 120.92 3hlm n TYR 284 Ca 0.20 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.95 3hlm n TYR 284 Cb 0.63 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.69 3hlm n TYR 284 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hlm n GLY 285 N -0.31 -0.14 0.02 2.72 0.00 -1.26 -2.88 105.19 103.33 3hlm n GLY 285 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3hlm n GLY 285 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hlm n GLU 286 N -0.20 0.54 -2.54 1.61 -0.58 0.28 -5.03 120.64 114.72 3hlm n GLU 286 Ca 0.03 -0.14 -0.00 0.00 -0.42 0.00 0.00 57.16 56.62 3hlm n GLU 286 Cb 0.13 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3hlm n GLU 286 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hlm n ARG 287 N -2.16 -0.93 -4.06 3.49 5.12 -1.14 -4.50 116.66 112.48 3hlm n ARG 287 Ca -0.02 1.20 -0.32 0.00 -1.93 0.00 0.00 57.85 56.78 3hlm n ARG 287 Cb 0.53 -4.38 -0.16 0.00 -1.16 0.00 0.00 32.46 27.29 3hlm n ARG 287 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hlm s VAL 288 N -2.95 1.89 0.39 1.55 1.01 -1.26 -2.70 120.40 118.34 3hlm s VAL 288 Ca 0.01 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 3hlm s VAL 288 Cb -0.00 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.58 3hlm s VAL 288 CO 0.51 0.31 0.75 -0.83 0.00 0.00 0.00 175.10 175.84 3hlm s GLY 289 N 1.31 0.60 0.09 4.51 0.00 -1.20 -0.74 107.32 111.89 3hlm s GLY 289 Ca 0.01 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 3hlm s GLY 289 CO -0.10 -0.44 0.21 0.00 0.00 0.00 0.00 173.10 172.77 3hlm s ALA 290 N -2.29 -0.29 -0.05 3.20 0.00 -0.89 -1.15 121.76 120.29 3hlm s ALA 290 Ca 0.18 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.62 3hlm s ALA 290 Cb -0.04 0.50 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 3hlm s ALA 290 CO 0.13 -0.52 -0.19 0.12 0.00 0.00 0.00 175.76 175.30 3hlm s PHE 291 N -3.84 1.94 -0.06 0.00 5.36 0.53 -1.23 117.98 120.67 3hlm s PHE 291 Ca 0.05 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 55.42 3hlm s PHE 291 Cb 0.05 -1.30 0.02 0.00 -0.34 0.00 0.00 43.02 41.44 3hlm s PHE 291 CO -0.11 -0.22 -0.09 0.99 -1.46 0.00 0.00 175.22 174.34 3hlm s THR 292 N 0.09 0.89 -0.13 0.12 2.01 -0.66 -0.08 115.64 117.87 3hlm s THR 292 Ca -0.06 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 3hlm s THR 292 Cb -0.13 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 3hlm s THR 292 CO 0.03 0.31 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.52 3hlm s VAL 293 N 0.88 3.69 -0.24 3.82 1.01 -0.86 -0.52 120.40 128.18 3hlm s VAL 293 Ca -0.11 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 3hlm s VAL 293 Cb -0.15 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3hlm s VAL 293 CO 0.01 0.52 0.15 -0.69 0.00 0.00 0.00 175.10 175.10 3hlm s VAL 294 N 0.08 5.32 0.34 2.92 1.01 -0.94 -1.63 120.40 127.51 3hlm s VAL 294 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3hlm s VAL 294 Cb -0.14 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3hlm s VAL 294 CO 0.03 0.35 0.09 0.00 0.00 0.00 0.00 175.10 175.58 3hlm h LYS 296 N 0.00 0.32 -2.20 0.00 3.64 -1.96 -3.44 116.57 112.92 3hlm h LYS 296 Ca -0.26 -0.07 0.22 0.00 -1.27 0.00 0.00 60.65 59.27 3hlm h LYS 296 Cb 0.83 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.54 3hlm h LYS 296 CO 0.42 0.43 0.63 0.16 -2.27 0.00 0.00 179.45 178.82 3hlm s ASP 297 N -6.84 -0.07 0.39 4.20 1.47 -1.26 -4.96 116.67 109.60 3hlm s ASP 297 Ca -0.06 -0.43 0.17 0.00 1.18 0.00 0.00 52.55 53.41 3hlm s ASP 297 Cb 0.15 0.39 0.79 0.00 -0.34 0.00 0.00 42.92 43.92 3hlm s ASP 297 CO 0.74 -0.76 1.81 0.00 0.68 0.00 0.00 175.17 177.65 3hlm h ALA 298 N 2.00 1.20 -0.30 2.11 0.00 -1.76 -1.98 119.26 120.53 3hlm h ALA 298 Ca -0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 3hlm h ALA 298 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hlm h ALA 298 CO 0.30 0.45 0.10 1.49 0.00 0.00 0.00 179.25 181.59 3hlm h GLU 299 N 0.00 0.46 -0.06 0.00 4.22 -1.95 -1.90 114.58 115.35 3hlm h GLU 299 Ca -0.00 -0.10 -0.14 0.00 0.08 0.00 0.00 59.36 59.20 3hlm h GLU 299 Cb 0.73 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3hlm h GLU 299 CO 0.05 0.50 -0.61 1.49 -2.18 0.00 0.00 179.01 178.26 3hlm h GLU 300 N 0.32 0.19 -0.07 1.92 4.81 -1.83 -1.46 114.58 118.46 3hlm h GLU 300 Ca 0.10 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3hlm h GLU 300 Cb 0.23 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3hlm h GLU 300 CO -0.00 0.74 -0.20 0.00 -0.73 0.00 0.00 179.01 178.81 3hlm h ALA 301 N 1.23 1.54 -0.39 2.92 0.00 -1.17 -2.12 119.26 121.27 3hlm h ALA 301 Ca -0.01 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3hlm h ALA 301 Cb 1.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3hlm h ALA 301 CO 0.09 0.33 -0.11 0.87 0.00 0.00 0.00 179.25 180.43 3hlm h LYS 302 N 0.10 0.77 0.23 0.00 1.57 -0.44 0.65 116.57 119.44 3hlm h LYS 302 Ca 0.02 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3hlm h LYS 302 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3hlm h LYS 302 CO 0.03 0.91 -0.18 0.00 -0.57 0.00 0.00 179.45 179.64 3hlm h ARG 303 N 0.57 -0.40 -0.33 3.15 3.08 -1.28 -0.21 114.38 118.95 3hlm h ARG 303 Ca 0.10 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.22 3hlm h ARG 303 Cb 0.64 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 3hlm h ARG 303 CO 0.04 -0.27 0.09 0.28 -1.07 0.00 0.00 179.97 179.05 3hlm h VAL 304 N -0.42 0.88 -0.13 2.04 2.07 -1.41 -0.84 116.25 118.43 3hlm h VAL 304 Ca -0.01 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3hlm h VAL 304 Cb 0.37 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3hlm h VAL 304 CO -0.01 0.04 -0.26 -0.08 0.02 0.00 0.00 177.57 177.28 3hlm h GLU 305 N 0.22 -0.32 -0.87 1.57 4.81 -0.35 0.46 114.58 120.12 3hlm h GLU 305 Ca 0.15 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 3hlm h GLU 305 Cb 0.14 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 3hlm h GLU 305 CO -0.18 -0.21 0.53 0.66 -0.73 0.00 0.00 179.01 179.08 3hlm h SER 306 N -0.33 0.81 0.65 1.04 4.64 -0.76 -0.61 113.55 118.99 3hlm h SER 306 Ca 0.10 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 3hlm h SER 306 Cb 0.48 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3hlm h SER 306 CO -0.32 0.50 -0.66 1.56 -0.87 0.00 0.00 176.83 177.04 3hlm h GLN 307 N 0.93 0.00 -0.79 4.77 1.08 -0.26 -2.13 115.11 118.73 3hlm h GLN 307 Ca 0.39 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 3hlm h GLN 307 Cb 0.24 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 3hlm h GLN 307 CO -0.20 0.66 0.44 -0.07 -0.95 0.00 0.00 178.83 178.71 3hlm h LEU 308 N 0.00 0.97 -1.06 1.46 4.07 0.47 -2.29 115.31 118.93 3hlm h LEU 308 Ca -0.01 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.78 3hlm h LEU 308 Cb 1.16 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 3hlm h LEU 308 CO 0.09 0.78 -0.27 0.11 -1.08 0.00 0.00 178.44 178.06 3hlm h LYS 309 N 1.09 0.34 0.00 1.13 1.57 -0.94 -1.88 116.57 117.88 3hlm h LYS 309 Ca 0.28 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3hlm h LYS 309 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hlm h LYS 309 CO -0.05 0.59 -0.31 0.82 -0.57 0.00 0.00 179.45 179.92 3hlm h ILE 310 N 0.30 0.88 0.07 1.86 2.04 -0.85 -1.81 117.51 120.00 3hlm h ILE 310 Ca 0.04 -1.24 -0.26 0.00 1.00 0.00 0.00 64.86 64.41 3hlm h ILE 310 Cb 0.64 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 3hlm h ILE 310 CO 0.05 0.31 -1.29 -0.07 0.00 0.00 0.00 178.15 177.14 3hlm h LEU 311 N 0.00 0.22 -0.08 1.44 3.38 -1.06 -3.37 115.31 115.85 3hlm h LEU 311 Ca -0.00 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 3hlm h LEU 311 Cb 0.72 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hlm h LEU 311 CO 0.04 1.22 -0.28 0.40 0.09 0.00 0.00 178.44 179.92 3hlm h ILE 312 N 0.04 1.42 -0.71 1.22 2.04 -1.16 -3.32 117.51 117.04 3hlm h ILE 312 Ca -0.14 -1.65 0.15 0.00 1.00 0.00 0.00 64.86 64.21 3hlm h ILE 312 Cb 1.92 2.27 -0.13 0.00 -0.74 0.00 0.00 36.82 40.14 3hlm h ILE 312 CO 0.15 0.47 -0.13 -0.09 0.00 0.00 0.00 178.15 178.56 3hlm h ARG 313 N -0.16 0.02 -0.03 2.37 2.43 -1.49 -0.44 114.38 117.09 3hlm h ARG 313 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hlm h ARG 313 Cb 0.91 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3hlm h ARG 313 CO 0.06 0.02 0.00 -2.30 -1.51 0.00 0.00 179.97 176.23 3hlm n PRO 314 N -5.44 1.15 -0.07 0.20 -0.02 -1.25 -0.57 135.00 129.00 3hlm n PRO 314 Ca 0.10 -0.23 -0.22 0.00 -2.02 0.00 0.00 63.50 61.13 3hlm n PRO 314 Cb 0.39 -1.32 -0.12 0.00 -0.02 0.00 0.00 33.50 32.42 3hlm n PRO 314 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hlm n LEU 315 N -0.57 2.11 -0.03 2.45 4.77 -0.20 -4.82 117.00 120.70 3hlm n LEU 315 Ca 0.15 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3hlm n LEU 315 Cb 0.12 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 3hlm n LEU 315 CO 0.11 0.47 0.12 0.00 -1.33 0.00 0.00 177.39 176.76 3hlm n TYR 316 N -4.13 0.00 0.00 -1.77 0.18 -1.04 -5.04 117.16 105.36 3hlm n TYR 316 Ca -0.33 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.45 3hlm n TYR 316 Cb 0.80 0.08 0.00 0.00 -0.38 0.00 0.00 39.34 39.85 3hlm n TYR 316 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 3hlm n SER 317 N 0.00 0.00 -3.51 9.48 7.64 0.26 -4.67 113.62 122.81 3hlm n SER 317 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 3hlm n SER 317 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 3hlm n SER 317 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hlm s ASN 318 N 0.00 -0.36 0.58 6.43 2.20 -1.26 -4.31 114.94 118.22 3hlm s ASN 318 Ca 0.00 0.04 -0.06 0.00 -0.94 0.00 0.00 52.86 51.90 3hlm s ASN 318 Cb 0.00 0.37 0.00 0.00 -2.00 0.00 0.00 41.25 39.63 3hlm s ASN 318 CO 0.00 -0.59 0.89 -2.16 -2.94 0.00 0.00 177.10 172.30 3hlm s PRO 319 N -2.94 3.00 0.26 3.55 0.04 -1.26 -4.99 135.00 132.66 3hlm s PRO 319 Ca 0.04 0.04 -0.16 0.00 0.04 0.00 0.00 61.00 60.97 3hlm s PRO 319 Cb -0.01 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 3hlm s PRO 319 CO -0.08 -0.64 0.69 -1.25 0.04 0.00 0.00 177.00 175.75 3hlm s PRO 320 N -4.97 4.05 -0.07 0.56 0.04 -1.26 -4.56 135.00 128.79 3hlm s PRO 320 Ca 0.53 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.05 3hlm s PRO 320 Cb -0.11 -2.65 -0.13 0.00 0.04 0.00 0.00 34.50 31.65 3hlm s PRO 320 CO 0.45 0.29 0.69 -0.07 0.04 0.00 0.00 177.00 178.40 3hlm h LEU 321 N 2.80 -0.17 -0.20 -3.56 3.38 -1.94 -3.38 115.31 112.24 3hlm h LEU 321 Ca -0.48 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.21 3hlm h LEU 321 Cb 1.18 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 3hlm h LEU 321 CO 0.66 0.40 -0.47 -1.13 0.09 0.00 0.00 178.44 177.99 3hlm h ASN 322 N -0.94 -1.53 0.03 -0.43 -1.24 -1.96 -2.37 115.58 107.14 3hlm h ASN 322 Ca -0.02 0.19 -0.12 0.00 0.71 0.00 0.00 56.30 57.06 3hlm h ASN 322 Cb 0.48 0.61 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 3hlm h ASN 322 CO 0.03 -0.39 -0.38 1.23 -1.29 0.00 0.00 177.43 176.63 3hlm h GLY 323 N -0.45 0.51 2.00 1.57 0.00 -1.79 0.07 103.07 104.98 3hlm h GLY 323 Ca 0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3hlm h GLY 323 CO -0.42 0.44 -0.14 0.00 0.00 0.00 0.00 176.54 176.41 3hlm h ALA 324 N 1.20 1.11 0.06 3.60 0.00 -1.70 0.41 119.26 123.95 3hlm h ALA 324 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hlm h ALA 324 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hlm h ALA 324 CO 0.07 0.18 -0.03 0.00 0.00 0.00 0.00 179.25 179.47 3hlm h ARG 325 N 0.00 -0.08 -0.89 0.00 3.08 -0.48 -0.65 114.38 115.35 3hlm h ARG 325 Ca -0.00 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.22 3hlm h ARG 325 Cb 0.53 0.02 -0.16 0.00 0.08 0.00 0.00 29.97 30.43 3hlm h ARG 325 CO 0.02 0.36 -0.26 0.82 -1.07 0.00 0.00 179.97 179.83 3hlm h ILE 326 N -0.97 0.08 -0.13 2.04 2.04 -1.29 0.71 117.51 120.00 3hlm h ILE 326 Ca -0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 3hlm h ILE 326 Cb 0.48 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3hlm h ILE 326 CO 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.88 3hlm h ALA 327 N 1.73 0.21 -0.62 1.87 0.00 -0.93 -2.22 119.26 119.31 3hlm h ALA 327 Ca 0.40 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hlm h ALA 327 Cb 0.64 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3hlm h ALA 327 CO -0.92 0.22 0.31 0.00 0.00 0.00 0.00 179.25 178.86 3hlm h ALA 328 N 0.54 0.82 -0.61 0.00 0.00 -0.06 -1.69 119.26 118.26 3hlm h ALA 328 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hlm h ALA 328 Cb 0.88 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3hlm h ALA 328 CO 0.06 -0.05 0.40 1.15 0.00 0.00 0.00 179.25 180.81 3hlm h THR 329 N 0.57 1.16 -0.18 0.00 2.02 -0.74 -1.70 112.91 114.03 3hlm h THR 329 Ca 0.29 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hlm h THR 329 Cb 0.24 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3hlm h THR 329 CO -0.22 0.15 0.10 0.40 0.37 0.00 0.00 175.52 176.32 3hlm h ILE 330 N 0.83 1.10 0.00 3.11 2.04 -1.04 -3.03 117.51 120.51 3hlm h ILE 330 Ca 0.22 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3hlm h ILE 330 Cb -0.09 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3hlm h ILE 330 CO -0.05 0.09 -0.21 -0.07 0.00 0.00 0.00 178.15 177.91 3hlm h LEU 331 N 0.19 0.00 0.00 1.44 3.38 -1.00 -2.85 115.31 116.47 3hlm h LEU 331 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hlm h LEU 331 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hlm h LEU 331 CO -0.01 0.21 -0.90 0.35 0.09 0.00 0.00 178.44 178.17 3hlm n THR 332 N -3.25 0.03 -3.38 0.22 -2.24 -0.67 -4.78 114.28 100.21 3hlm n THR 332 Ca 0.01 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.28 3hlm n THR 332 Cb 0.50 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 3hlm n THR 332 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hlm s SER 333 N -3.23 6.31 0.35 3.42 0.15 -1.15 -5.00 113.70 114.56 3hlm s SER 333 Ca 0.07 -2.27 0.16 0.00 0.70 0.00 0.00 55.95 54.61 3hlm s SER 333 Cb 0.16 -2.16 1.09 0.00 -1.71 0.00 0.00 66.02 63.40 3hlm s SER 333 CO 0.81 -0.68 1.68 -0.65 1.20 0.00 0.00 173.24 175.60 3hlm h PRO 334 N 8.23 0.34 0.85 5.44 0.11 -1.86 -0.13 132.00 144.97 3hlm h PRO 334 Ca -0.09 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 3hlm h PRO 334 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hlm h PRO 334 CO 0.87 0.22 -0.45 -0.44 -0.21 0.00 0.00 178.00 178.00 3hlm h ASP 335 N 0.35 -1.09 -0.71 -2.05 3.32 -1.94 -1.55 116.42 112.74 3hlm h ASP 335 Ca 0.71 0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.94 3hlm h ASP 335 Cb 1.68 0.30 -0.09 0.00 0.22 0.00 0.00 39.33 41.44 3hlm h ASP 335 CO -0.53 -0.73 0.28 -0.07 -1.72 0.00 0.00 179.24 176.46 3hlm h LEU 336 N -1.19 0.26 0.47 1.55 3.38 -1.36 0.49 115.31 118.90 3hlm h LEU 336 Ca -0.11 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hlm h LEU 336 Cb 0.93 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3hlm h LEU 336 CO 0.16 0.11 -0.41 -0.09 0.09 0.00 0.00 178.44 178.31 3hlm h ARG 337 N 0.44 -0.84 -0.50 1.13 2.43 -0.98 0.66 114.38 116.71 3hlm h ARG 337 Ca 0.38 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.67 3hlm h ARG 337 Cb 0.55 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 3hlm h ARG 337 CO -0.38 -0.56 0.20 -0.22 -1.51 0.00 0.00 179.97 177.50 3hlm h LYS 338 N -0.88 0.38 -0.69 0.20 3.64 -0.70 0.88 116.57 119.40 3hlm h LYS 338 Ca -0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hlm h LYS 338 Cb 0.76 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3hlm h LYS 338 CO -0.03 0.25 0.44 0.37 -2.27 0.00 0.00 179.45 178.20 3hlm h GLN 339 N 0.39 0.92 0.13 1.90 4.15 0.67 -2.67 115.11 120.60 3hlm h GLN 339 Ca 0.24 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3hlm h GLN 339 Cb 0.23 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3hlm h GLN 339 CO -0.22 0.63 -0.06 2.35 -1.93 0.00 0.00 178.83 179.59 3hlm h TRP 340 N 0.94 -0.16 -1.13 3.99 7.01 0.21 -1.87 115.95 124.94 3hlm h TRP 340 Ca 0.25 -0.00 0.32 0.00 2.11 0.00 0.00 58.89 61.56 3hlm h TRP 340 Cb -0.07 0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 26.97 3hlm h TRP 340 CO 0.00 0.13 0.77 -0.07 -2.79 0.00 0.00 178.44 176.49 3hlm h LEU 341 N -0.46 0.22 -0.40 0.65 3.38 -0.80 -0.38 115.31 117.53 3hlm h LEU 341 Ca -0.02 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 3hlm h LEU 341 Cb 0.37 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hlm h LEU 341 CO 0.03 0.03 -0.74 1.56 0.09 0.00 0.00 178.44 179.40 3hlm h GLN 342 N 0.19 0.38 -0.06 1.13 4.20 -1.01 -1.58 115.11 118.36 3hlm h GLN 342 Ca 0.60 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 58.91 3hlm h GLN 342 Cb 1.95 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 3hlm h GLN 342 CO -0.17 0.96 -0.32 0.93 -0.67 0.00 0.00 178.83 179.56 3hlm h GLU 343 N 0.26 0.12 -0.02 1.46 5.08 -0.59 -1.55 114.58 119.33 3hlm h GLU 343 Ca -0.03 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3hlm h GLU 343 Cb 1.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3hlm h GLU 343 CO 0.13 0.43 -0.19 0.28 -1.00 0.00 0.00 179.01 178.66 3hlm h VAL 344 N 0.11 1.51 -0.89 3.13 2.07 -1.11 -2.42 116.25 118.64 3hlm h VAL 344 Ca 0.01 -1.77 0.15 0.00 0.82 0.00 0.00 66.70 65.91 3hlm h VAL 344 Cb 0.63 2.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.92 3hlm h VAL 344 CO 0.05 0.48 0.57 0.50 0.02 0.00 0.00 177.57 179.19 3hlm h LYS 345 N -0.46 0.66 -0.19 1.57 3.64 -1.12 -0.67 116.57 120.01 3hlm h LYS 345 Ca -0.02 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3hlm h LYS 345 Cb 0.89 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3hlm h LYS 345 CO 0.04 0.44 -0.05 0.78 -2.27 0.00 0.00 179.45 178.39 3hlm h GLY 346 N 0.68 0.13 0.89 5.01 0.00 -1.02 -0.56 103.07 108.20 3hlm h GLY 346 Ca 0.45 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 3hlm h GLY 346 CO -0.20 -0.07 0.08 -0.33 0.00 0.00 0.00 176.54 176.02 3hlm h MET 347 N -0.00 0.43 -0.72 4.80 2.86 -0.79 0.11 114.93 121.62 3hlm h MET 347 Ca 0.09 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3hlm h MET 347 Cb 0.14 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3hlm h MET 347 CO -0.19 0.49 0.37 0.00 1.06 0.00 0.00 176.91 178.64 3hlm h ALA 348 N 0.92 1.29 -0.42 6.32 0.00 -0.97 -2.32 119.26 124.07 3hlm h ALA 348 Ca 0.09 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3hlm h ALA 348 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hlm h ALA 348 CO -0.00 0.56 -0.30 -0.44 0.00 0.00 0.00 179.25 179.07 3hlm h ASP 349 N 1.02 1.00 -0.25 0.00 3.45 -0.72 0.12 116.42 121.04 3hlm h ASP 349 Ca 0.25 -0.43 -0.02 0.00 0.43 0.00 0.00 57.03 57.26 3hlm h ASP 349 Cb 0.07 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 3hlm h ASP 349 CO -0.04 1.22 0.07 -0.09 -1.57 0.00 0.00 179.24 178.83 3hlm h ARG 350 N 0.79 0.39 -0.07 3.56 2.43 -0.44 0.11 114.38 121.16 3hlm h ARG 350 Ca 0.08 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3hlm h ARG 350 Cb 0.89 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 3hlm h ARG 350 CO 0.08 0.49 -0.29 0.82 -1.51 0.00 0.00 179.97 179.56 3hlm h ILE 351 N 0.23 0.34 -0.92 1.20 1.08 -1.41 -1.40 117.51 116.64 3hlm h ILE 351 Ca 0.08 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.60 3hlm h ILE 351 Cb 0.27 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 3hlm h ILE 351 CO -0.00 0.00 0.59 0.40 -0.69 0.00 0.00 178.15 178.45 3hlm h ILE 352 N -0.40 1.11 -0.85 -0.67 2.04 -0.53 -2.06 117.51 116.14 3hlm h ILE 352 Ca 0.08 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3hlm h ILE 352 Cb 0.52 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 3hlm h ILE 352 CO -0.30 0.20 0.55 -1.28 0.00 0.00 0.00 178.15 177.32 3hlm h SER 353 N 1.10 0.92 -0.25 1.72 0.87 -0.30 -1.46 113.55 116.15 3hlm h SER 353 Ca 0.38 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.81 3hlm h SER 353 Cb 0.09 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3hlm h SER 353 CO -0.15 0.64 -0.27 0.24 -0.53 0.00 0.00 176.83 176.76 3hlm h MET 354 N 1.08 0.74 -0.71 2.24 2.86 -0.83 0.17 114.93 120.48 3hlm h MET 354 Ca 0.33 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3hlm h MET 354 Cb -0.02 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3hlm h MET 354 CO -0.10 0.93 0.47 0.00 1.06 0.00 0.00 176.91 179.27 3hlm h ARG 355 N 0.64 0.94 -0.03 1.72 3.08 -1.01 -0.86 114.38 118.85 3hlm h ARG 355 Ca 0.08 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3hlm h ARG 355 Cb 0.79 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3hlm h ARG 355 CO 0.06 0.63 -0.09 1.15 -1.07 0.00 0.00 179.97 180.65 3hlm h THR 356 N 0.97 1.46 -0.98 2.04 2.02 -0.72 -2.63 112.91 115.08 3hlm h THR 356 Ca 0.26 -1.49 0.08 0.00 0.77 0.00 0.00 66.41 66.03 3hlm h THR 356 Cb -0.11 2.36 -0.07 0.00 -1.74 0.00 0.00 68.15 68.60 3hlm h THR 356 CO -0.06 0.40 0.62 1.56 0.37 0.00 0.00 175.52 178.42 3hlm h GLN 357 N -0.43 1.07 -0.17 6.66 4.20 -0.65 -1.80 115.11 123.99 3hlm h GLN 357 Ca -0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3hlm h GLN 357 Cb 0.70 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3hlm h GLN 357 CO 0.02 0.71 0.08 1.25 -0.67 0.00 0.00 178.83 180.22 3hlm h LEU 358 N 1.10 0.22 -0.33 1.46 5.85 -1.00 0.86 115.31 123.46 3hlm h LEU 358 Ca 0.44 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.07 3hlm h LEU 358 Cb 0.24 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3hlm h LEU 358 CO -0.19 0.26 0.16 0.58 -0.34 0.00 0.00 178.44 178.91 3hlm h VAL 359 N 0.15 0.98 -0.01 1.05 2.07 -1.25 -0.98 116.25 118.27 3hlm h VAL 359 Ca 0.06 -0.12 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 3hlm h VAL 359 Cb 0.10 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3hlm h VAL 359 CO -0.01 0.06 -0.68 0.77 0.02 0.00 0.00 177.57 177.74 3hlm h SER 360 N 0.34 0.04 0.23 0.57 4.64 -0.97 -1.45 113.55 116.95 3hlm h SER 360 Ca 0.14 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 3hlm h SER 360 Cb 0.05 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3hlm h SER 360 CO -0.10 0.71 -0.30 0.78 -0.87 0.00 0.00 176.83 177.05 3hlm h ASN 361 N 0.02 0.12 0.03 4.97 -0.26 -0.60 -0.81 115.58 119.06 3hlm h ASN 361 Ca -0.01 -0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.59 3hlm h ASN 361 Cb 1.20 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.42 3hlm h ASN 361 CO 0.09 0.43 -0.30 -0.07 -1.06 0.00 0.00 177.43 176.52 3hlm h LEU 362 N 0.11 0.42 -0.10 1.61 3.38 -0.12 -1.12 115.31 119.49 3hlm h LEU 362 Ca 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3hlm h LEU 362 Cb 0.60 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hlm h LEU 362 CO 0.04 0.71 0.00 0.11 0.09 0.00 0.00 178.44 179.39 3hlm h LYS 363 N 0.36 0.18 -0.91 1.13 1.57 -1.03 -2.44 116.57 115.43 3hlm h LYS 363 Ca 0.05 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3hlm h LYS 363 Cb 0.71 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 3hlm h LYS 363 CO 0.05 0.43 0.52 0.87 -0.57 0.00 0.00 179.45 180.76 3hlm h LYS 364 N -0.09 0.74 0.00 3.15 1.57 -0.91 0.04 116.57 121.07 3hlm h LYS 364 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hlm h LYS 364 Cb 0.35 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3hlm h LYS 364 CO 0.01 0.49 0.00 0.39 -0.57 0.00 0.00 179.45 179.76 3hlm n GLU 365 N -4.77 0.04 0.00 3.15 -0.58 -0.45 -4.89 120.64 113.14 3hlm n GLU 365 Ca 0.18 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 3hlm n GLU 365 Cb 0.42 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 3hlm n GLU 365 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hlm n GLY 366 N 0.68 0.70 3.75 0.62 0.00 0.00 -5.04 105.19 105.90 3hlm n GLY 366 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3hlm n GLY 366 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hlm s SER 367 N -2.58 6.56 0.00 1.61 0.15 -0.94 -4.90 113.70 113.60 3hlm s SER 367 Ca 0.00 2.78 0.21 0.00 0.70 0.00 0.00 55.95 59.64 3hlm s SER 367 Cb 0.00 -2.63 0.54 0.00 -1.71 0.00 0.00 66.02 62.22 3hlm s SER 367 CO 0.00 -0.76 1.45 -1.54 1.20 0.00 0.00 173.24 173.59 3hlm n SER 368 N 2.02 2.74 -4.85 5.45 3.41 -1.26 -4.72 113.62 116.41 3hlm n SER 368 Ca 0.06 -1.90 -0.32 0.00 -0.26 0.00 0.00 58.87 56.45 3hlm n SER 368 Cb 0.39 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 3hlm n SER 368 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hlm s HIS 369 N -1.57 3.40 -0.05 7.33 3.76 -1.26 -5.02 115.29 121.88 3hlm s HIS 369 Ca 0.36 1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 56.25 3hlm s HIS 369 Cb 0.20 -2.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 3hlm s HIS 369 CO 0.29 -0.08 1.24 1.21 -0.85 0.00 0.00 174.74 176.54 3hlm s ASN 370 N -2.65 7.01 -0.03 1.40 3.84 -1.26 -4.87 114.94 118.38 3hlm s ASN 370 Ca 0.56 1.86 0.09 0.00 0.21 0.00 0.00 52.86 55.58 3hlm s ASN 370 Cb -0.10 -2.56 0.26 0.00 -0.55 0.00 0.00 41.25 38.30 3hlm s ASN 370 CO 0.23 -0.61 1.21 0.79 -2.79 0.00 0.00 177.10 175.92 3hlm n TRP 371 N 5.29 0.39 0.29 0.43 7.02 -1.26 -4.75 117.44 124.84 3hlm n TRP 371 Ca 0.11 -0.57 0.17 0.00 -1.02 0.00 0.00 57.50 56.20 3hlm n TRP 371 Cb 0.46 -0.07 0.84 0.00 -2.42 0.00 0.00 31.31 30.11 3hlm n TRP 371 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 3hlm h GLN 372 N 1.41 0.00 -0.47 -0.99 3.07 -1.98 0.38 115.11 116.52 3hlm h GLN 372 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 58.65 58.84 3hlm h GLN 372 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.31 3hlm h GLN 372 CO 0.03 0.05 0.33 1.12 0.09 0.00 0.00 178.83 180.44 3hlm h HIS 373 N 0.00 0.23 0.00 0.06 2.07 -1.88 0.51 115.15 116.15 3hlm h HIS 373 Ca -0.00 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3hlm h HIS 373 Cb 0.33 -0.08 -0.00 0.00 2.57 0.00 0.00 27.41 30.23 3hlm h HIS 373 CO 0.00 0.11 -0.05 0.82 -3.07 0.00 0.00 177.93 175.74 3hlm h ILE 374 N 0.22 0.60 0.00 6.12 2.04 -1.26 -2.02 117.51 123.21 3hlm h ILE 374 Ca 0.22 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3hlm h ILE 374 Cb 0.58 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3hlm h ILE 374 CO -0.04 0.05 -1.73 0.35 0.00 0.00 0.00 178.15 176.79 3hlm n THR 375 N -3.83 0.04 0.07 -0.27 -2.24 0.16 -4.24 114.28 103.97 3hlm n THR 375 Ca -0.03 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.35 3hlm n THR 375 Cb 0.15 0.12 0.18 0.00 -2.10 0.00 0.00 70.33 68.67 3hlm n THR 375 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hlm h ASP 376 N 0.00 0.32 -4.28 3.42 3.32 -0.87 -3.45 116.42 114.87 3hlm h ASP 376 Ca -0.01 -0.15 -0.52 0.00 0.02 0.00 0.00 57.03 56.37 3hlm h ASP 376 Cb 0.76 -0.09 0.18 0.00 0.22 0.00 0.00 39.33 40.40 3hlm h ASP 376 CO 0.00 0.73 0.25 -1.10 -1.72 0.00 0.00 179.24 177.40 3hlm s GLN 377 N -4.08 1.37 -0.06 3.56 -0.21 -0.78 -4.86 119.66 114.59 3hlm s GLN 377 Ca -0.05 1.44 0.02 0.00 0.02 0.00 0.00 55.36 56.80 3hlm s GLN 377 Cb 0.13 -1.78 0.01 0.00 1.00 0.00 0.00 33.01 32.37 3hlm s GLN 377 CO 0.79 -2.36 -0.12 0.42 -2.12 0.00 0.00 175.29 171.90 3hlm s ILE 378 N -2.72 1.14 0.00 1.08 1.01 0.22 -5.00 121.20 116.93 3hlm s ILE 378 Ca 0.65 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3hlm s ILE 378 Cb -0.21 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.23 3hlm s ILE 378 CO 0.57 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.48 3hlm n GLY 379 N 3.75 -1.28 0.10 6.18 0.00 -1.26 -4.44 105.19 108.24 3hlm n GLY 379 Ca -0.22 -2.13 0.15 0.00 0.00 0.00 0.00 46.02 43.81 3hlm n GLY 379 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3hlm n MET 380 N -0.02 0.81 -4.65 1.61 0.00 -1.26 -4.76 117.12 108.85 3hlm n MET 380 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 57.70 57.18 3hlm n MET 380 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.61 3hlm n MET 380 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3hlm s PHE 381 N -2.32 2.74 -0.05 3.17 0.08 -1.26 -1.03 117.98 119.31 3hlm s PHE 381 Ca 0.35 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 3hlm s PHE 381 Cb 0.21 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 41.11 3hlm s PHE 381 CO 0.43 0.28 0.00 0.00 -0.10 0.00 0.00 175.22 175.84 3hlm s PHE 383 N 1.51 2.86 0.15 0.00 0.40 -0.97 -0.85 117.98 121.08 3hlm s PHE 383 Ca -0.03 0.91 -0.04 0.00 -0.60 0.00 0.00 56.93 57.17 3hlm s PHE 383 Cb -0.13 -4.05 -0.03 0.00 0.51 0.00 0.00 43.02 39.32 3hlm s PHE 383 CO -0.03 -1.26 1.37 1.79 0.70 0.00 0.00 175.22 177.79 3hlm h THR 384 N 6.02 1.37 0.00 0.64 1.35 -1.58 -3.47 112.91 117.23 3hlm h THR 384 Ca -0.23 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 3hlm h THR 384 Cb 1.07 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 3hlm h THR 384 CO 1.07 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 177.62 3hlm n GLY 385 N 0.71 0.79 3.74 5.82 0.00 -1.26 -4.99 105.19 110.00 3hlm n GLY 385 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3hlm n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hlm s LEU 386 N 0.00 4.41 0.71 0.99 1.43 -1.26 -5.03 118.68 119.93 3hlm s LEU 386 Ca 0.00 2.50 -0.10 0.00 -1.03 0.00 0.00 54.13 55.51 3hlm s LEU 386 Cb 0.00 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.64 3hlm s LEU 386 CO 0.00 -0.57 1.07 -0.54 0.23 0.00 0.00 176.35 176.54 3hlm s LYS 387 N -0.41 2.48 0.23 1.70 1.02 -1.26 -4.28 119.74 119.22 3hlm s LYS 387 Ca 0.56 0.14 -0.08 0.00 0.02 0.00 0.00 55.97 56.61 3hlm s LYS 387 Cb -0.38 -2.08 0.21 0.00 -0.52 0.00 0.00 37.83 35.06 3hlm s LYS 387 CO 0.41 -1.17 1.90 -1.35 -0.92 0.00 0.00 175.35 174.21 3hlm h PRO 388 N -0.67 1.18 -0.91 -1.68 0.11 -1.96 -1.56 132.00 126.51 3hlm h PRO 388 Ca -0.45 -0.08 0.09 0.00 0.11 0.00 0.00 66.00 65.66 3hlm h PRO 388 Cb 1.29 -0.26 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 3hlm h PRO 388 CO 0.63 0.79 0.56 0.93 -0.21 0.00 0.00 178.00 180.70 3hlm h GLU 389 N 1.20 0.92 -0.64 1.05 3.07 -1.93 -1.86 114.58 116.39 3hlm h GLU 389 Ca 0.32 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 59.05 3hlm h GLU 389 Cb -0.11 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.57 3hlm h GLU 389 CO -0.07 0.61 0.08 1.96 -1.40 0.00 0.00 179.01 180.20 3hlm h GLN 390 N 0.95 1.08 -0.53 2.33 4.20 -1.67 -2.52 115.11 118.94 3hlm h GLN 390 Ca 0.42 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.87 3hlm h GLN 390 Cb 0.32 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 3hlm h GLN 390 CO -0.22 1.00 0.29 0.28 -0.67 0.00 0.00 178.83 179.51 3hlm h VAL 391 N 0.99 0.99 -0.37 -0.54 2.07 -0.85 -1.03 116.25 117.50 3hlm h VAL 391 Ca 0.19 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3hlm h VAL 391 Cb 0.46 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3hlm h VAL 391 CO 0.02 0.10 0.09 -0.33 0.02 0.00 0.00 177.57 177.47 3hlm h GLU 392 N 0.57 0.22 -0.41 1.57 5.08 -1.07 -1.68 114.58 118.86 3hlm h GLU 392 Ca 0.23 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 3hlm h GLU 392 Cb 0.10 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 3hlm h GLU 392 CO -0.14 0.15 -0.09 0.00 -1.00 0.00 0.00 179.01 177.92 3hlm h ARG 393 N 0.23 0.01 -0.96 2.33 3.08 -1.10 0.17 114.38 118.14 3hlm h ARG 393 Ca 0.18 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.33 3hlm h ARG 393 Cb 0.19 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 3hlm h ARG 393 CO -0.22 0.01 0.59 -0.07 -1.07 0.00 0.00 179.97 179.21 3hlm h LEU 394 N 0.01 0.88 0.01 3.04 3.38 -0.67 0.49 115.31 122.44 3hlm h LEU 394 Ca 0.20 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hlm h LEU 394 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hlm h LEU 394 CO -0.41 0.49 -0.01 0.74 0.09 0.00 0.00 178.44 179.34 3hlm h THR 395 N 0.97 1.52 -0.21 0.22 2.02 -0.77 0.34 112.91 117.00 3hlm h THR 395 Ca 0.46 -1.74 -0.05 0.00 0.77 0.00 0.00 66.41 65.86 3hlm h THR 395 Cb 0.41 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 3hlm h THR 395 CO -0.25 0.44 -0.06 0.11 0.37 0.00 0.00 175.52 176.13 3hlm h LYS 396 N -0.78 0.41 0.00 6.66 1.57 -0.45 -0.62 116.57 123.35 3hlm h LYS 396 Ca -0.00 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3hlm h LYS 396 Cb 0.73 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3hlm h LYS 396 CO 0.00 0.66 -1.00 0.93 -0.57 0.00 0.00 179.45 179.48 3hlm h GLU 397 N 0.13 0.00 0.00 3.15 5.08 -0.18 -3.39 114.58 119.37 3hlm h GLU 397 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hlm h GLU 397 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hlm h GLU 397 CO 0.02 0.02 -0.49 1.19 -1.00 0.00 0.00 179.01 178.75 3hlm n PHE 398 N -2.70 0.00 -2.25 4.33 3.72 -0.87 -5.02 117.46 114.67 3hlm n PHE 398 Ca -0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3hlm n PHE 398 Cb 0.57 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.10 3hlm n PHE 398 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hlm n SER 399 N -0.90 -4.54 -4.66 4.37 7.64 -0.00 -4.64 113.62 110.88 3hlm n SER 399 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 3hlm n SER 399 Cb 0.00 -3.67 -0.04 0.00 -1.01 0.00 0.00 64.21 59.49 3hlm n SER 399 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hlm s VAL 400 N -2.74 4.87 -0.22 0.44 1.01 -0.55 -1.44 120.40 121.77 3hlm s VAL 400 Ca 0.00 1.61 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 3hlm s VAL 400 Cb 0.00 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 3hlm s VAL 400 CO 0.00 -0.00 -0.04 -0.31 0.00 0.00 0.00 175.10 174.75 3hlm s TYR 401 N 2.34 2.97 0.24 5.22 1.51 -0.38 -3.00 117.35 126.24 3hlm s TYR 401 Ca 0.37 -0.89 -0.13 0.00 -1.01 0.00 0.00 57.07 55.41 3hlm s TYR 401 Cb -0.16 -2.11 -0.00 0.00 -0.11 0.00 0.00 41.96 39.58 3hlm s TYR 401 CO 0.11 -0.52 0.48 0.00 -1.11 0.00 0.00 175.55 174.50 3hlm s MET 402 N 1.46 1.52 0.60 -0.62 0.23 -1.26 0.02 119.30 121.25 3hlm s MET 402 Ca 0.06 -1.21 -0.12 0.00 -1.03 0.00 0.00 55.69 53.38 3hlm s MET 402 Cb -0.14 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.59 3hlm s MET 402 CO -0.03 -0.63 1.02 0.95 -2.03 0.00 0.00 175.02 174.30 3hlm s THR 403 N -4.00 4.64 -0.42 3.16 -4.23 -1.24 -4.95 115.64 108.60 3hlm s THR 403 Ca 0.21 0.93 0.24 0.00 -1.18 0.00 0.00 61.69 61.89 3hlm s THR 403 Cb -0.01 -3.82 0.25 0.00 1.34 0.00 0.00 72.50 70.26 3hlm s THR 403 CO 0.08 -1.05 1.72 0.29 -0.54 0.00 0.00 174.62 175.11 3hlm n LYS 404 N -2.56 0.20 0.00 3.99 4.76 -1.26 -1.76 118.16 121.53 3hlm n LYS 404 Ca 0.06 0.46 0.14 0.00 -2.87 0.00 0.00 58.31 56.10 3hlm n LYS 404 Cb 0.54 -1.91 0.73 0.00 -1.84 0.00 0.00 35.03 32.55 3hlm n LYS 404 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3hlm n ASP 405 N -2.29 0.00 0.00 4.39 5.68 -1.26 -4.27 116.55 118.80 3hlm n ASP 405 Ca 0.02 -0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 3hlm n ASP 405 Cb 0.21 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3hlm n ASP 405 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hlm n GLY 406 N 1.06 0.62 3.70 6.12 0.00 -0.72 -4.82 105.19 111.15 3hlm n GLY 406 Ca 0.14 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 3hlm n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hlm s ARG 407 N -1.74 4.36 0.03 1.61 3.52 -1.25 -1.46 118.95 124.00 3hlm s ARG 407 Ca 0.00 0.82 0.03 0.00 -0.13 0.00 0.00 55.73 56.45 3hlm s ARG 407 Cb 0.00 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3hlm s ARG 407 CO 0.00 -0.07 -0.03 0.96 -0.81 0.00 0.00 175.30 175.35 3hlm s ILE 408 N 1.29 3.90 -0.53 4.11 -4.36 -0.03 -3.72 121.20 121.86 3hlm s ILE 408 Ca 0.35 -0.79 -0.23 0.00 -0.26 0.00 0.00 60.65 59.73 3hlm s ILE 408 Cb -0.17 -2.75 0.04 0.00 1.25 0.00 0.00 42.46 40.83 3hlm s ILE 408 CO 0.15 0.31 0.84 -0.55 0.24 0.00 0.00 174.94 175.93 3hlm s SER 409 N -1.71 6.32 0.14 4.36 0.15 0.11 -1.92 113.70 121.14 3hlm s SER 409 Ca 0.20 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.46 3hlm s SER 409 Cb -0.11 -2.39 0.40 0.00 -1.71 0.00 0.00 66.02 62.21 3hlm s SER 409 CO 0.11 -1.11 1.15 0.52 1.20 0.00 0.00 173.24 175.11 3hlm n VAL 410 N 6.05 1.26 0.51 4.45 0.31 -0.20 -1.18 118.33 129.54 3hlm n VAL 410 Ca -0.00 0.60 0.13 0.00 -0.01 0.00 0.00 64.34 65.06 3hlm n VAL 410 Cb 0.47 -1.60 0.33 0.00 -0.91 0.00 0.00 33.84 32.12 3hlm n VAL 410 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hlm h ALA 411 N 1.59 0.96 -0.00 3.52 0.00 -1.90 -2.48 119.26 120.95 3hlm h ALA 411 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hlm h ALA 411 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hlm h ALA 411 CO 0.00 0.00 -0.31 0.41 0.00 0.00 0.00 179.25 179.35 3hlm n GLY 412 N 1.26 -1.05 3.75 0.00 0.00 -0.32 -4.04 105.19 104.78 3hlm n GLY 412 Ca 0.05 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3hlm n GLY 412 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hlm s VAL 413 N -2.77 4.70 0.16 1.61 1.01 -0.94 -4.69 120.40 119.48 3hlm s VAL 413 Ca 0.18 1.63 0.06 0.00 0.00 0.00 0.00 61.98 63.85 3hlm s VAL 413 Cb 0.19 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3hlm s VAL 413 CO 0.59 0.38 -0.13 0.42 0.00 0.00 0.00 175.10 176.36 3hlm s THR 414 N -0.15 1.40 -0.06 3.92 -4.23 -1.26 -4.94 115.64 110.32 3hlm s THR 414 Ca 0.38 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.14 3hlm s THR 414 Cb -0.21 -1.81 0.25 0.00 1.34 0.00 0.00 72.50 72.07 3hlm s THR 414 CO 0.23 -0.60 1.77 0.77 -0.54 0.00 0.00 174.62 176.25 3hlm h SER 415 N 2.94 0.00 1.02 3.99 4.64 -1.98 0.27 113.55 124.43 3hlm h SER 415 Ca -0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 3hlm h SER 415 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3hlm h SER 415 CO 0.59 0.00 -1.04 1.23 -0.87 0.00 0.00 176.83 176.74 3hlm h GLY 416 N 0.00 0.00 -0.58 -0.77 0.00 -1.95 -3.38 103.07 96.40 3hlm h GLY 416 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hlm h GLY 416 CO 0.00 0.00 -0.05 1.16 0.00 0.00 0.00 176.54 177.65 3hlm n ASN 417 N -3.00 1.51 0.25 0.19 0.23 0.75 -4.68 115.26 110.51 3hlm n ASN 417 Ca -0.05 -1.25 0.12 0.00 -0.53 0.00 0.00 54.58 52.88 3hlm n ASN 417 Cb 0.78 0.14 0.64 0.00 -2.08 0.00 0.00 39.78 39.26 3hlm n ASN 417 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3hlm h VAL 418 N 1.41 0.49 0.00 3.53 3.04 -1.20 -1.91 116.25 121.61 3hlm h VAL 418 Ca 0.00 -0.74 -0.01 0.00 -1.01 0.00 0.00 66.70 64.94 3hlm h VAL 418 Cb 0.32 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 3hlm h VAL 418 CO 0.00 0.14 -0.04 1.23 -1.01 0.00 0.00 177.57 177.90 3hlm h GLY 419 N 1.38 0.02 -0.09 3.17 0.00 -1.85 -2.57 103.07 103.14 3hlm h GLY 419 Ca -0.00 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.35 3hlm h GLY 419 CO 0.02 0.04 -0.32 -1.82 0.00 0.00 0.00 176.54 174.46 3hlm h TYR 420 N -0.83 -0.89 -0.59 5.60 3.20 -1.82 -0.00 116.97 121.64 3hlm h TYR 420 Ca -0.01 0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.99 3hlm h TYR 420 Cb 0.91 0.44 -0.10 0.00 1.54 0.00 0.00 36.73 39.52 3hlm h TYR 420 CO 0.23 -0.38 -0.52 1.25 -1.64 0.00 0.00 178.16 177.10 3hlm h LEU 421 N -0.28 -1.80 -1.07 2.82 5.85 -1.43 0.14 115.31 119.54 3hlm h LEU 421 Ca 0.16 0.26 -0.05 0.00 0.84 0.00 0.00 57.88 59.09 3hlm h LEU 421 Cb 0.53 0.78 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3hlm h LEU 421 CO -0.50 -0.35 0.13 0.00 -0.34 0.00 0.00 178.44 177.39 3hlm h ALA 422 N 0.29 1.25 0.17 1.25 0.00 -1.03 0.34 119.26 121.54 3hlm h ALA 422 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hlm h ALA 422 Cb 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hlm h ALA 422 CO -0.70 0.52 -0.08 1.25 0.00 0.00 0.00 179.25 180.24 3hlm h HIS 423 N 0.77 -0.22 -0.72 0.00 -0.00 -0.48 -0.90 115.15 113.60 3hlm h HIS 423 Ca 0.17 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 3hlm h HIS 423 Cb 0.28 0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 3hlm h HIS 423 CO 0.02 -0.12 0.45 0.00 -0.00 0.00 0.00 177.93 178.27 3hlm h ALA 424 N 0.58 0.94 -0.70 5.26 0.00 0.12 -0.20 119.26 125.26 3hlm h ALA 424 Ca -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hlm h ALA 424 Cb 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hlm h ALA 424 CO 0.04 0.23 0.23 0.82 0.00 0.00 0.00 179.25 180.56 3hlm h ILE 425 N 0.87 1.25 -0.16 0.00 2.04 -0.30 -2.43 117.51 118.79 3hlm h ILE 425 Ca 0.29 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3hlm h ILE 425 Cb 0.03 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3hlm h ILE 425 CO -0.11 0.34 0.04 -0.74 0.00 0.00 0.00 178.15 177.67 3hlm h HIS 426 N 1.04 0.27 -0.67 1.37 2.76 -0.65 -2.34 115.15 116.92 3hlm h HIS 426 Ca 0.23 -0.03 0.15 0.00 -2.20 0.00 0.00 60.37 58.51 3hlm h HIS 426 Cb 0.28 -0.08 -0.12 0.00 1.55 0.00 0.00 27.41 29.04 3hlm h HIS 426 CO 0.02 0.39 -0.02 1.96 -1.30 0.00 0.00 177.93 178.99 3hlm h GLN 427 N 0.07 0.09 -0.00 5.26 1.08 -0.59 0.73 115.11 121.75 3hlm h GLN 427 Ca 0.05 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3hlm h GLN 427 Cb 0.26 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3hlm h GLN 427 CO 0.00 0.06 -0.27 1.33 -0.95 0.00 0.00 178.83 179.00 3hlm n VAL 428 N -5.33 0.00 0.30 -0.54 0.24 -0.97 -3.37 118.33 108.67 3hlm n VAL 428 Ca 0.11 -0.03 0.03 0.00 -2.04 0.00 0.00 64.34 62.41 3hlm n VAL 428 Cb 0.40 0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.74 3hlm n VAL 428 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hlm n THR 429 N -1.29 0.00 0.00 3.34 -2.24 -0.64 -4.91 114.28 108.54 3hlm n THR 429 Ca 0.09 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3hlm n THR 429 Cb 0.33 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3hlm n THR 429 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79