#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 -0.38 0.21 4.04 0.15 -1.26 -5.05 113.70 111.41 3hlm s SER 31 Ca 0.00 0.47 0.06 0.00 0.70 0.00 0.00 55.95 57.19 3hlm s SER 31 Cb 0.00 0.39 0.14 0.00 -1.71 0.00 0.00 66.02 64.84 3hlm s SER 31 CO 0.00 -0.31 1.48 -0.50 1.20 0.00 0.00 173.24 175.11 3hlm h TRP 32 N 2.82 0.14 -0.22 3.44 4.06 -2.07 -3.34 115.95 120.78 3hlm h TRP 32 Ca -0.20 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.68 3hlm h TRP 32 Cb 1.16 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 3hlm h TRP 32 CO 0.30 0.81 0.00 0.91 -3.56 0.00 0.00 178.44 176.90 3hlm n TRP 33 N -3.70 0.29 -0.29 0.49 7.02 -1.26 -4.63 117.44 115.36 3hlm n TRP 33 Ca -0.02 -0.42 0.25 0.00 -1.02 0.00 0.00 57.50 56.29 3hlm n TRP 33 Cb 0.72 -0.03 0.58 0.00 -2.42 0.00 0.00 31.31 30.16 3hlm n TRP 33 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3hlm h THR 34 N 1.55 0.53 -0.50 -0.99 1.35 -1.98 0.37 112.91 113.24 3hlm h THR 34 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3hlm h THR 34 Cb 0.62 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 3hlm h THR 34 CO 0.00 0.05 0.00 1.41 -0.25 0.00 0.00 175.52 176.73 3hlm n HIS 35 N -4.48 1.02 -3.01 4.73 8.25 -1.26 -4.85 115.22 115.62 3hlm n HIS 35 Ca 0.23 -0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 56.85 3hlm n HIS 35 Cb 0.92 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.83 3hlm n HIS 35 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hlm s VAL 36 N -1.64 4.82 0.33 1.59 1.01 0.12 -5.04 120.40 121.58 3hlm s VAL 36 Ca 0.38 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 3hlm s VAL 36 Cb 0.23 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3hlm s VAL 36 CO 0.20 -0.31 0.78 -1.61 0.00 0.00 0.00 175.10 174.16 3hlm s GLU 37 N 2.90 4.09 0.34 2.72 2.02 -1.26 -5.02 118.70 124.48 3hlm s GLU 37 Ca 0.29 0.80 -0.29 0.00 0.02 0.00 0.00 54.97 55.79 3hlm s GLU 37 Cb -0.14 -2.45 -0.11 0.00 0.10 0.00 0.00 34.13 31.53 3hlm s GLU 37 CO 0.14 0.15 1.55 1.41 0.02 0.00 0.00 175.26 178.54 3hlm s MET 38 N -2.87 4.10 0.82 1.61 -2.45 -1.26 -4.99 119.30 114.26 3hlm s MET 38 Ca 0.54 2.60 -0.10 0.00 -1.25 0.00 0.00 55.69 57.47 3hlm s MET 38 Cb -0.11 -2.99 0.08 0.00 1.25 0.00 0.00 34.83 33.06 3hlm s MET 38 CO 0.17 -0.60 1.10 0.20 1.05 0.00 0.00 175.02 176.94 3hlm s GLY 39 N 0.20 1.67 0.95 2.11 0.00 -1.26 -5.03 107.32 105.97 3hlm s GLY 39 Ca 0.58 0.31 -0.11 0.00 0.00 0.00 0.00 44.72 45.50 3hlm s GLY 39 CO 0.56 0.68 0.95 -1.55 0.00 0.00 0.00 173.10 173.74 3hlm n PRO 40 N -3.72 -0.64 -2.77 2.90 -0.04 -1.26 -4.98 135.00 124.50 3hlm n PRO 40 Ca 0.09 -0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 63.10 3hlm n PRO 40 Cb 0.53 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 3hlm n PRO 40 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3hlm s PRO 41 N -4.37 4.16 -0.47 0.54 0.02 -1.26 -4.98 135.00 128.64 3hlm s PRO 41 Ca 0.65 1.14 -0.28 0.00 0.02 0.00 0.00 61.00 62.52 3hlm s PRO 41 Cb -0.23 -2.17 0.01 0.00 0.02 0.00 0.00 34.50 32.14 3hlm s PRO 41 CO 0.61 -0.09 1.38 0.34 -0.33 0.00 0.00 177.00 178.91 3hlm s ASP 42 N -2.20 6.30 0.19 2.53 2.15 -1.26 -4.91 116.67 119.46 3hlm s ASP 42 Ca 0.62 0.60 -0.17 0.00 0.43 0.00 0.00 52.55 54.04 3hlm s ASP 42 Cb -0.10 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.14 3hlm s ASP 42 CO 0.15 -1.51 1.62 1.55 -0.17 0.00 0.00 175.17 176.81 3hlm h PRO 43 N 10.68 -0.07 0.16 4.34 0.13 -2.00 -1.49 132.00 143.75 3hlm h PRO 43 Ca -0.27 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3hlm h PRO 43 Cb 1.10 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3hlm h PRO 43 CO 1.12 -0.05 -0.16 0.82 -0.23 0.00 0.00 178.00 179.50 3hlm h ILE 44 N -0.07 0.63 -0.37 -3.56 2.04 -1.97 -1.20 117.51 113.02 3hlm h ILE 44 Ca 0.25 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.19 3hlm h ILE 44 Cb 0.46 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 3hlm h ILE 44 CO -0.58 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 177.23 3hlm h LEU 45 N -0.36 -0.89 -0.96 1.44 3.38 -1.87 0.44 115.31 116.51 3hlm h LEU 45 Ca 0.01 0.17 0.28 0.00 0.09 0.00 0.00 57.88 58.42 3hlm h LEU 45 Cb 0.34 0.43 -0.17 0.00 0.09 0.00 0.00 40.66 41.35 3hlm h LEU 45 CO -0.05 -0.29 0.15 1.23 0.09 0.00 0.00 178.44 179.57 3hlm h GLY 46 N -0.21 1.40 0.50 0.83 0.00 -0.18 0.94 103.07 106.35 3hlm h GLY 46 Ca 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3hlm h GLY 46 CO -0.49 -0.51 -0.09 -2.08 0.00 0.00 0.00 176.54 173.37 3hlm h VAL 47 N 0.06 0.89 -0.83 4.60 2.07 0.33 -0.38 116.25 123.00 3hlm h VAL 47 Ca 0.62 -0.94 0.21 0.00 0.82 0.00 0.00 66.70 67.41 3hlm h VAL 47 Cb 1.33 1.41 -0.13 0.00 -1.52 0.00 0.00 31.29 32.37 3hlm h VAL 47 CO -0.83 0.20 0.16 0.74 0.02 0.00 0.00 177.57 177.85 3hlm h THR 48 N -0.75 0.35 0.00 2.57 2.02 0.89 -0.54 112.91 117.44 3hlm h THR 48 Ca -0.03 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3hlm h THR 48 Cb 0.51 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3hlm h THR 48 CO 0.04 0.03 -0.42 -0.33 0.37 0.00 0.00 175.52 175.21 3hlm h GLU 49 N 0.19 0.00 -0.28 6.66 5.08 -0.80 -2.74 114.58 122.69 3hlm h GLU 49 Ca 0.49 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.75 3hlm h GLU 49 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3hlm h GLU 49 CO -0.64 0.00 -0.24 0.00 -1.00 0.00 0.00 179.01 177.13 3hlm h ALA 50 N 2.17 0.40 -0.27 3.43 0.00 -0.29 -2.99 119.26 121.71 3hlm h ALA 50 Ca 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.60 3hlm h ALA 50 Cb 0.91 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 3hlm h ALA 50 CO 0.00 0.37 -0.32 0.35 0.00 0.00 0.00 179.25 179.65 3hlm h PHE 51 N 0.38 -0.89 -0.51 0.00 3.57 -0.97 0.17 116.94 118.69 3hlm h PHE 51 Ca 0.05 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3hlm h PHE 51 Cb 0.79 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 3hlm h PHE 51 CO 0.07 -0.39 0.20 -0.22 -2.23 0.00 0.00 178.31 175.74 3hlm h LYS 52 N -0.32 0.73 -0.23 1.11 3.64 -1.55 0.25 116.57 120.21 3hlm h LYS 52 Ca 0.14 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3hlm h LYS 52 Cb 0.54 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3hlm h LYS 52 CO -0.45 0.61 -0.23 -0.09 -2.27 0.00 0.00 179.45 177.02 3hlm h ARG 53 N 0.73 0.41 -6.66 1.90 2.43 -1.34 -3.45 114.38 108.40 3hlm h ARG 53 Ca 0.17 -0.14 -0.57 0.00 -0.81 0.00 0.00 59.98 58.63 3hlm h ARG 53 Cb 0.15 -0.03 0.10 0.00 -0.42 0.00 0.00 29.97 29.77 3hlm h ARG 53 CO -0.02 0.62 0.56 -3.47 -1.51 0.00 0.00 179.97 176.16 3hlm n ASP 54 N -4.15 2.76 -0.04 -3.80 -0.08 0.88 -4.87 116.55 107.26 3hlm n ASP 54 Ca -0.00 1.17 -0.03 0.00 -1.51 0.00 0.00 54.79 54.42 3hlm n ASP 54 Cb 0.38 -1.46 -0.07 0.00 2.34 0.00 0.00 41.12 42.31 3hlm n ASP 54 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 3hlm n THR 55 N 1.18 0.52 -1.39 5.18 5.66 -1.26 -4.96 114.28 119.21 3hlm n THR 55 Ca 0.08 -0.34 -0.42 0.00 -3.05 0.00 0.00 64.05 60.32 3hlm n THR 55 Cb 0.34 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 3hlm n THR 55 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3hlm n ASN 56 N -2.26 -1.65 -1.15 1.09 2.85 -1.26 -4.93 115.26 107.95 3hlm n ASN 56 Ca -0.13 0.88 -0.01 0.00 -0.11 0.00 0.00 54.58 55.22 3hlm n ASN 56 Cb 0.72 -1.02 0.22 0.00 1.24 0.00 0.00 39.78 40.94 3hlm n ASN 56 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3hlm n SER 57 N 1.70 3.12 -0.62 1.20 3.41 -1.26 -4.15 113.62 117.03 3hlm n SER 57 Ca 0.12 -3.48 0.06 0.00 -0.26 0.00 0.00 58.87 55.32 3hlm n SER 57 Cb 0.39 -0.62 0.11 0.00 -0.26 0.00 0.00 64.21 63.83 3hlm n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hlm n LYS 58 N -0.89 1.77 -1.75 4.33 5.02 -1.26 -5.06 118.16 120.32 3hlm n LYS 58 Ca 0.31 -1.68 -0.39 0.00 -2.02 0.00 0.00 58.31 54.53 3hlm n LYS 58 Cb 1.04 -1.27 0.03 0.00 -0.02 0.00 0.00 35.03 34.81 3hlm n LYS 58 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3hlm n LYS 59 N 0.69 1.94 -4.27 1.97 2.85 -1.26 -4.92 118.16 115.16 3hlm n LYS 59 Ca 0.10 0.70 -0.18 0.00 -1.05 0.00 0.00 58.31 57.89 3hlm n LYS 59 Cb 0.38 -2.61 -0.13 0.00 -0.65 0.00 0.00 35.03 32.01 3hlm n LYS 59 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 3hlm s MET 60 N -2.72 0.73 -0.67 -1.58 -1.94 0.11 -5.01 119.30 108.22 3hlm s MET 60 Ca 0.67 -0.56 -0.05 0.00 -1.71 0.00 0.00 55.69 54.04 3hlm s MET 60 Cb -0.43 -0.67 0.17 0.00 2.01 0.00 0.00 34.83 35.91 3hlm s MET 60 CO 0.53 0.17 0.51 1.21 -0.01 0.00 0.00 175.02 177.42 3hlm s ASN 61 N -0.83 5.53 -0.10 3.03 2.47 -1.26 -1.11 114.94 122.67 3hlm s ASN 61 Ca -0.00 -2.83 0.10 0.00 0.42 0.00 0.00 52.86 50.55 3hlm s ASN 61 Cb -0.06 -1.92 0.47 0.00 -1.45 0.00 0.00 41.25 38.28 3hlm s ASN 61 CO 0.00 -0.41 1.28 0.18 -3.72 0.00 0.00 177.10 174.43 3hlm n LEU 62 N 3.58 3.41 -0.35 3.21 4.77 0.18 -3.99 117.00 127.80 3hlm n LEU 62 Ca 0.09 -1.72 0.07 0.00 -0.03 0.00 0.00 56.01 54.42 3hlm n LEU 62 Cb 0.40 -0.52 0.15 0.00 -2.33 0.00 0.00 43.42 41.12 3hlm n LEU 62 CO 0.34 0.52 0.60 0.61 -1.33 0.00 0.00 177.39 178.12 3hlm n GLY 63 N 0.64 4.02 3.66 -0.72 0.00 -1.23 0.14 105.19 111.69 3hlm n GLY 63 Ca 0.16 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.26 4.91 -2.02 1.61 0.11 -1.26 -4.93 120.40 116.57 3hlm s VAL 64 Ca 0.27 1.46 0.07 0.00 -2.93 0.00 0.00 61.98 60.85 3hlm s VAL 64 Cb 0.22 -4.06 0.19 0.00 -1.53 0.00 0.00 36.38 31.19 3hlm s VAL 64 CO 0.06 0.02 1.21 0.61 -3.33 0.00 0.00 175.10 173.67 3hlm n GLY 65 N 3.68 -0.53 3.26 6.54 0.00 -1.26 -4.81 105.19 112.07 3hlm n GLY 65 Ca 0.03 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.88 1.56 0.20 4.61 0.00 -1.26 -5.12 121.76 119.88 3hlm s ALA 66 Ca 0.12 -1.44 -0.32 0.00 0.00 0.00 0.00 51.96 50.32 3hlm s ALA 66 Cb 0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 23.12 23.01 3hlm s ALA 66 CO 0.09 0.01 1.15 0.98 0.00 0.00 0.00 175.76 177.99 3hlm n TYR 67 N 0.06 1.34 -4.12 0.00 9.36 -1.26 -4.88 117.16 117.66 3hlm n TYR 67 Ca -0.12 0.67 -0.15 0.00 3.32 0.00 0.00 57.90 61.62 3hlm n TYR 67 Cb 0.59 -2.29 -0.11 0.00 -0.63 0.00 0.00 39.34 36.90 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 -0.59 0.68 0.31 2.98 1.81 -1.26 -4.55 118.95 118.33 3hlm s ARG 68 Ca 0.70 -0.91 -0.00 0.00 -1.72 0.00 0.00 55.73 53.80 3hlm s ARG 68 Cb -0.81 -0.47 0.06 0.00 -0.45 0.00 0.00 34.95 33.28 3hlm s ARG 68 CO 0.53 0.09 0.42 -0.40 -0.68 0.00 0.00 175.30 175.26 3hlm n ASP 69 N 1.18 0.56 0.30 0.23 5.68 -0.70 -4.84 116.55 118.97 3hlm n ASP 69 Ca -0.21 -1.47 0.17 0.00 -0.50 0.00 0.00 54.79 52.78 3hlm n ASP 69 Cb 0.55 -0.27 0.97 0.00 -1.14 0.00 0.00 41.12 41.24 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 -0.25 0.00 -0.60 -1.12 3.58 -1.92 0.14 116.42 116.24 3hlm h ASP 70 Ca -0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.31 3hlm h ASP 70 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 3hlm h ASP 70 CO 0.15 0.02 0.00 0.59 -2.88 0.00 0.00 179.24 177.12 3hlm n ASN 71 N -3.50 4.33 -1.40 2.28 4.13 -1.26 -4.60 115.26 115.25 3hlm n ASN 71 Ca -0.03 -2.37 -0.11 0.00 1.68 0.00 0.00 54.58 53.75 3hlm n ASN 71 Cb 0.12 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 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 1.12 -0.06 3.48 7.41 0.00 0.47 -5.05 105.19 112.57 3hlm n GLY 72 Ca 0.24 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.72 1.73 1.00 1.61 -0.14 -1.26 -4.76 119.74 113.20 3hlm s LYS 73 Ca 0.04 -1.41 -0.13 0.00 -1.36 0.00 0.00 55.97 53.11 3hlm s LYS 73 Cb -0.02 -1.97 0.13 0.00 -1.68 0.00 0.00 37.83 34.28 3hlm s LYS 73 CO 0.06 0.42 0.71 -2.30 -0.76 0.00 0.00 175.35 173.47 3hlm n PRO 74 N 0.21 -0.88 -3.54 -1.68 -0.02 -1.26 -1.71 135.00 126.12 3hlm n PRO 74 Ca -0.12 -0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 60.86 3hlm n PRO 74 Cb 0.56 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.82 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 -2.46 0.57 0.11 6.00 5.04 -1.26 -4.75 117.35 120.60 3hlm s TYR 75 Ca 0.62 -1.18 -0.30 0.00 -2.44 0.00 0.00 57.07 53.77 3hlm s TYR 75 Cb -0.21 -0.99 -0.06 0.00 0.35 0.00 0.00 41.96 41.04 3hlm s TYR 75 CO 0.64 -0.83 1.12 0.08 -1.34 0.00 0.00 175.55 175.21 3hlm s VAL 76 N 1.75 4.06 0.29 3.14 1.01 -1.26 -4.83 120.40 124.57 3hlm s VAL 76 Ca 0.12 1.62 -0.28 0.00 0.00 0.00 0.00 61.98 63.44 3hlm s VAL 76 Cb -0.18 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 3hlm s VAL 76 CO -0.25 0.21 0.96 -0.76 0.00 0.00 0.00 175.10 175.26 3hlm s LEU 77 N 0.31 4.45 0.43 3.92 1.02 -1.26 -4.92 118.68 122.64 3hlm s LEU 77 Ca 0.53 1.93 0.10 0.00 0.02 0.00 0.00 54.13 56.70 3hlm s LEU 77 Cb -0.28 -3.85 0.96 0.00 0.02 0.00 0.00 46.19 43.03 3hlm s LEU 77 CO 0.32 -0.02 2.06 -0.65 0.02 0.00 0.00 176.35 178.08 3hlm h PRO 78 N 3.53 0.43 0.00 1.29 0.11 -1.99 -0.32 132.00 135.04 3hlm h PRO 78 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3hlm h PRO 78 Cb 1.20 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hlm h PRO 78 CO 0.66 0.28 -0.13 0.66 -0.21 0.00 0.00 178.00 179.26 3hlm h SER 79 N 0.44 0.00 -0.00 -2.05 4.64 -1.94 0.56 113.55 115.20 3hlm h SER 79 Ca 0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hlm h SER 79 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hlm h SER 79 CO -0.03 0.13 -0.00 0.58 -0.87 0.00 0.00 176.83 176.64 3hlm h VAL 80 N 0.00 1.49 -0.61 0.95 2.07 -1.44 -1.87 116.25 116.84 3hlm h VAL 80 Ca -0.00 -1.44 0.09 0.00 0.82 0.00 0.00 66.70 66.17 3hlm h VAL 80 Cb 0.35 2.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 3hlm h VAL 80 CO 0.02 0.37 0.23 0.03 0.02 0.00 0.00 177.57 178.24 3hlm h ARG 81 N -0.60 0.40 -0.79 1.57 2.47 -1.08 0.82 114.38 117.16 3hlm h ARG 81 Ca -0.00 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3hlm h ARG 81 Cb 0.61 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 3hlm h ARG 81 CO 0.00 0.26 0.43 -0.22 0.56 0.00 0.00 179.97 181.01 3hlm h LYS 82 N 0.41 1.10 -0.01 0.04 3.64 0.16 -1.64 116.57 120.27 3hlm h LYS 82 Ca 0.31 -0.12 -0.24 0.00 -1.27 0.00 0.00 60.65 59.33 3hlm h LYS 82 Cb 0.37 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3hlm h LYS 82 CO -0.30 0.80 -0.92 0.00 -2.27 0.00 0.00 179.45 176.76 3hlm h ALA 83 N 1.37 0.13 -0.97 5.00 0.00 -0.47 -2.20 119.26 122.12 3hlm h ALA 83 Ca 0.28 -0.66 0.12 0.00 0.00 0.00 0.00 54.91 54.65 3hlm h ALA 83 Cb 0.02 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3hlm h ALA 83 CO -0.05 0.60 0.61 0.93 0.00 0.00 0.00 179.25 181.35 3hlm h GLU 84 N 0.29 0.90 0.03 0.00 5.08 -0.55 -1.08 114.58 119.25 3hlm h GLU 84 Ca -0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3hlm h GLU 84 Cb 1.59 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3hlm h GLU 84 CO 0.18 0.60 -0.01 0.00 -1.00 0.00 0.00 179.01 178.77 3hlm h ALA 85 N 1.55 -0.04 -0.85 3.43 0.00 -0.72 -0.23 119.26 122.40 3hlm h ALA 85 Ca 0.48 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.33 3hlm h ALA 85 Cb 0.51 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3hlm h ALA 85 CO -0.24 -0.38 0.55 1.96 0.00 0.00 0.00 179.25 181.15 3hlm h GLN 86 N -0.33 0.81 -0.27 0.00 4.20 -0.86 -0.99 115.11 117.67 3hlm h GLN 86 Ca -0.00 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3hlm h GLN 86 Cb 0.31 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hlm h GLN 86 CO 0.01 0.53 -0.08 0.82 -0.67 0.00 0.00 178.83 179.44 3hlm h ILE 87 N 0.83 1.29 -0.59 2.54 2.04 -0.71 -1.73 117.51 121.18 3hlm h ILE 87 Ca 0.39 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 3hlm h ILE 87 Cb 0.40 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3hlm h ILE 87 CO -0.16 0.35 0.10 0.00 0.00 0.00 0.00 178.15 178.45 3hlm h ALA 88 N 0.76 1.06 -0.95 1.87 0.00 -0.17 -1.97 119.26 119.87 3hlm h ALA 88 Ca 0.07 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3hlm h ALA 88 Cb 0.57 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3hlm h ALA 88 CO 0.03 0.61 0.61 0.00 0.00 0.00 0.00 179.25 180.49 3hlm h ALA 89 N 1.21 1.32 0.00 0.00 0.00 -1.06 -2.03 119.26 118.69 3hlm h ALA 89 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hlm h ALA 89 Cb 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hlm h ALA 89 CO 0.01 0.37 0.00 0.87 0.00 0.00 0.00 179.25 180.50 3hlm h LYS 90 N 1.09 0.00 -6.06 0.00 1.57 -0.51 -3.47 116.57 109.19 3hlm h LYS 90 Ca 0.41 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.78 3hlm h LYS 90 Cb 0.18 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.55 3hlm h LYS 90 CO -0.18 0.00 -0.79 -1.71 -0.57 0.00 0.00 179.45 176.20 3hlm n ASN 91 N -2.59 -2.51 -4.85 0.86 4.05 -0.77 -4.96 115.26 104.49 3hlm n ASN 91 Ca -0.01 -0.76 -0.31 0.00 0.45 0.00 0.00 54.58 53.95 3hlm n ASN 91 Cb 0.13 -4.23 0.00 0.00 1.23 0.00 0.00 39.78 36.90 3hlm n ASN 91 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3hlm s LEU 92 N -6.82 3.34 1.16 1.20 1.43 -1.26 -5.07 118.68 112.65 3hlm s LEU 92 Ca 0.20 1.50 -0.18 0.00 -1.03 0.00 0.00 54.13 54.62 3hlm s LEU 92 Cb -0.10 -4.49 0.27 0.00 0.03 0.00 0.00 46.19 41.90 3hlm s LEU 92 CO 0.80 -0.88 1.12 1.51 0.23 0.00 0.00 176.35 179.13 3hlm s ASP 93 N -3.76 1.30 -0.27 2.29 1.47 -1.26 -5.01 116.67 111.43 3hlm s ASP 93 Ca 0.57 0.68 0.09 0.00 1.18 0.00 0.00 52.55 55.07 3hlm s ASP 93 Cb -0.11 -0.98 0.45 0.00 -0.34 0.00 0.00 42.92 41.94 3hlm s ASP 93 CO 0.47 -3.89 1.26 0.29 0.68 0.00 0.00 175.17 173.97 3hlm n LYS 94 N -4.61 2.52 -1.40 2.11 5.02 -1.26 -5.08 118.16 115.46 3hlm n LYS 94 Ca 0.12 -3.67 -0.30 0.00 -2.02 0.00 0.00 58.31 52.44 3hlm n LYS 94 Cb 0.59 -1.94 0.10 0.00 -0.02 0.00 0.00 35.03 33.75 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 -3.42 2.05 0.36 1.97 0.41 -1.26 -4.96 118.70 113.85 3hlm s GLU 95 Ca 0.45 0.85 -0.28 0.00 -0.41 0.00 0.00 54.97 55.58 3hlm s GLU 95 Cb 0.40 -1.90 -0.11 0.00 -1.78 0.00 0.00 34.13 30.74 3hlm s GLU 95 CO -0.01 -1.70 1.52 0.71 -0.49 0.00 0.00 175.26 175.29 3hlm s TYR 96 N -3.02 2.61 0.74 1.61 2.02 -1.26 -5.01 117.35 115.04 3hlm s TYR 96 Ca 0.61 1.07 -0.11 0.00 -0.37 0.00 0.00 57.07 58.27 3hlm s TYR 96 Cb -0.16 -4.05 0.04 0.00 -0.40 0.00 0.00 41.96 37.39 3hlm s TYR 96 CO 0.55 -3.18 1.08 -0.51 -1.57 0.00 0.00 175.55 171.92 3hlm s LEU 97 N -1.73 3.00 0.97 -1.29 1.43 -1.26 -5.06 118.68 114.74 3hlm s LEU 97 Ca 0.55 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 3hlm s LEU 97 Cb -0.47 -4.42 0.17 0.00 0.03 0.00 0.00 46.19 41.50 3hlm s LEU 97 CO 0.60 -1.75 1.08 -2.84 0.23 0.00 0.00 176.35 173.68 3hlm s PRO 98 N -5.00 0.66 0.22 1.29 0.02 -1.26 -4.81 135.00 126.13 3hlm s PRO 98 Ca 0.60 0.83 -0.08 0.00 0.02 0.00 0.00 61.00 62.37 3hlm s PRO 98 Cb -0.15 -1.74 0.36 0.00 0.02 0.00 0.00 34.50 32.99 3hlm s PRO 98 CO 0.55 -2.65 1.69 0.82 -0.33 0.00 0.00 177.00 177.08 3hlm h ILE 99 N -1.85 0.55 0.00 2.83 2.04 -1.98 0.17 117.51 119.27 3hlm h ILE 99 Ca -0.52 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3hlm h ILE 99 Cb 1.30 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3hlm h ILE 99 CO 0.53 0.04 0.00 1.23 0.00 0.00 0.00 178.15 179.95 3hlm h GLY 100 N 0.22 0.00 0.00 5.37 0.00 -1.90 -3.40 103.07 103.36 3hlm h GLY 100 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3hlm h GLY 100 CO -0.48 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.67 3hlm n GLY 101 N -0.59 -1.50 3.63 4.60 0.00 0.59 -0.73 105.19 111.18 3hlm n GLY 101 Ca -0.00 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 4.08 0.21 0.99 2.96 -1.26 -4.06 118.68 121.60 3hlm s LEU 102 Ca 0.00 0.79 -0.09 0.00 -0.22 0.00 0.00 54.13 54.62 3hlm s LEU 102 Cb 0.00 -3.05 0.26 0.00 0.50 0.00 0.00 46.19 43.90 3hlm s LEU 102 CO 0.00 -0.51 1.81 0.00 -1.32 0.00 0.00 176.35 176.33 3hlm h ALA 103 N 7.91 0.93 0.00 5.97 0.00 -1.99 0.25 119.26 132.34 3hlm h ALA 103 Ca -0.25 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3hlm h ALA 103 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hlm h ALA 103 CO 0.85 0.06 -0.40 1.05 0.00 0.00 0.00 179.25 180.81 3hlm h GLU 104 N 0.71 0.00 -0.14 0.00 4.11 -1.99 -0.71 114.58 116.55 3hlm h GLU 104 Ca 0.31 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.53 3hlm h GLU 104 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 3hlm h GLU 104 CO -0.19 0.40 -0.74 0.35 0.07 0.00 0.00 179.01 178.90 3hlm h PHE 105 N 0.00 1.01 -0.03 2.06 3.57 -1.34 -2.11 116.94 120.11 3hlm h PHE 105 Ca -0.00 -0.45 0.01 0.00 3.53 0.00 0.00 57.97 61.05 3hlm h PHE 105 Cb 0.93 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3hlm h PHE 105 CO 0.00 1.28 -0.02 0.00 -2.23 0.00 0.00 178.31 177.34 3hlm h LYS 107 N -0.02 0.49 -0.77 0.00 3.64 -1.20 -1.06 116.57 117.65 3hlm h LYS 107 Ca 0.02 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 3hlm h LYS 107 Cb 0.04 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3hlm h LYS 107 CO -0.04 0.47 0.28 0.00 -2.27 0.00 0.00 179.45 177.88 3hlm h ALA 108 N 1.00 1.02 -0.25 5.00 0.00 -1.25 -2.21 119.26 122.57 3hlm h ALA 108 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hlm h ALA 108 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hlm h ALA 108 CO -0.01 0.67 0.07 1.03 0.00 0.00 0.00 179.25 181.01 3hlm h SER 109 N 1.14 0.05 -0.49 0.00 0.87 0.37 -0.34 113.55 115.15 3hlm h SER 109 Ca 0.25 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3hlm h SER 109 Cb 0.26 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3hlm h SER 109 CO -0.01 0.06 0.32 0.00 -0.53 0.00 0.00 176.83 176.67 3hlm h ALA 110 N 1.17 0.62 -0.93 6.23 0.00 -1.02 -2.31 119.26 123.02 3hlm h ALA 110 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hlm h ALA 110 Cb 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3hlm h ALA 110 CO -0.13 0.07 0.56 0.93 0.00 0.00 0.00 179.25 180.67 3hlm h GLU 111 N 0.66 1.27 0.15 0.00 5.08 -1.00 -0.76 114.58 119.99 3hlm h GLU 111 Ca 0.18 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3hlm h GLU 111 Cb -0.07 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 28.87 3hlm h GLU 111 CO -0.04 0.90 -0.35 1.25 -1.00 0.00 0.00 179.01 179.77 3hlm h LEU 112 N 1.29 -1.00 -0.20 1.33 5.85 -0.67 0.42 115.31 122.33 3hlm h LEU 112 Ca 0.33 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.16 3hlm h LEU 112 Cb -0.04 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hlm h LEU 112 CO -0.06 -0.44 0.10 0.00 -0.34 0.00 0.00 178.44 177.70 3hlm h ALA 113 N 0.00 0.25 0.00 1.25 0.00 -0.79 -3.21 119.26 116.76 3hlm h ALA 113 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hlm h ALA 113 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hlm h ALA 113 CO -0.19 -0.20 -1.25 1.28 0.00 0.00 0.00 179.25 178.90 3hlm n LEU 114 N -4.88 0.59 0.00 0.00 4.77 -0.38 -4.84 117.00 112.27 3hlm n LEU 114 Ca -0.04 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3hlm n LEU 114 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3hlm n LEU 114 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3hlm n GLY 115 N 1.39 -2.60 3.77 -0.72 0.00 0.15 -4.56 105.19 102.62 3hlm n GLY 115 Ca 0.01 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 3hlm n GLY 115 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hlm s GLU 116 N -5.06 2.61 0.00 1.61 -1.05 -1.21 -2.49 118.70 113.10 3hlm s GLU 116 Ca 0.00 1.28 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 3hlm s GLU 116 Cb 0.00 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 3hlm s GLU 116 CO 0.00 -1.39 0.00 0.09 0.95 0.00 0.00 175.26 174.91 3hlm n ASN 117 N -2.87 0.00 -4.75 0.83 5.03 -1.26 -5.00 115.26 107.23 3hlm n ASN 117 Ca 0.10 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.13 3hlm n ASN 117 Cb 0.52 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.28 3hlm n ASN 117 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3hlm n ASN 118 N 0.00 3.72 -0.13 6.41 2.85 -1.04 -4.88 115.26 122.19 3hlm n ASN 118 Ca 0.00 1.19 0.18 0.00 -0.11 0.00 0.00 54.58 55.84 3hlm n ASN 118 Cb 0.00 -1.59 0.56 0.00 1.24 0.00 0.00 39.78 39.99 3hlm n ASN 118 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 3hlm h GLU 119 N 3.71 0.28 -0.45 1.20 4.22 -1.94 -2.37 114.58 119.23 3hlm h GLU 119 Ca -0.49 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3hlm h GLU 119 Cb 1.24 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3hlm h GLU 119 CO 0.70 0.19 0.30 0.28 -2.18 0.00 0.00 179.01 178.30 3hlm h VAL 120 N 0.29 1.12 0.02 0.32 2.07 -1.95 -2.47 116.25 115.65 3hlm h VAL 120 Ca 0.36 -0.22 -0.20 0.00 0.82 0.00 0.00 66.70 67.45 3hlm h VAL 120 Cb 0.97 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3hlm h VAL 120 CO -0.09 0.12 -0.92 -0.07 0.02 0.00 0.00 177.57 176.62 3hlm h LEU 121 N 0.61 0.20 -0.61 2.57 3.38 -1.81 -2.03 115.31 117.63 3hlm h LEU 121 Ca 0.16 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3hlm h LEU 121 Cb -0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hlm h LEU 121 CO -0.04 1.02 -0.55 0.11 0.09 0.00 0.00 178.44 179.07 3hlm h LYS 122 N 0.08 0.41 0.00 1.13 1.57 -1.29 -2.97 116.57 115.50 3hlm h LYS 122 Ca -0.04 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3hlm h LYS 122 Cb 1.58 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.92 3hlm h LYS 122 CO 0.14 0.86 -0.53 -1.13 -0.57 0.00 0.00 179.45 178.22 3hlm n SER 123 N -3.94 0.52 -0.18 0.86 3.41 -0.94 -4.95 113.62 108.40 3hlm n SER 123 Ca -0.03 -0.23 -0.02 0.00 -0.26 0.00 0.00 58.87 58.33 3hlm n SER 123 Cb 0.60 0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.80 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 1.49 0.57 2.48 5.00 0.00 -0.79 -4.57 105.19 109.36 3hlm n GLY 124 Ca 0.05 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.85 4.09 -3.48 1.61 1.85 -1.03 -4.26 116.66 112.58 3hlm n ARG 125 Ca -0.02 -2.99 -0.11 0.00 -1.00 0.00 0.00 57.85 53.73 3hlm n ARG 125 Cb 0.09 -2.76 -0.03 0.00 -1.05 0.00 0.00 32.46 28.71 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 0.40 -0.47 -0.05 2.89 -0.71 -1.26 -1.54 117.98 117.24 3hlm s PHE 126 Ca 0.58 0.43 0.03 0.00 -1.04 0.00 0.00 56.93 56.92 3hlm s PHE 126 Cb 0.17 0.52 0.01 0.00 -1.21 0.00 0.00 43.02 42.51 3hlm s PHE 126 CO -0.07 -0.65 -0.12 0.54 -1.34 0.00 0.00 175.22 173.57 3hlm s VAL 127 N -2.88 1.11 -0.12 -2.49 0.11 -0.71 -4.89 120.40 110.53 3hlm s VAL 127 Ca 0.01 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 3hlm s VAL 127 Cb -0.01 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 3hlm s VAL 127 CO -0.07 0.34 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.94 3hlm s THR 128 N 0.45 1.92 0.07 5.04 2.01 -1.26 -0.43 115.64 123.44 3hlm s THR 128 Ca -0.10 -0.91 0.10 0.00 0.31 0.00 0.00 61.69 61.09 3hlm s THR 128 Cb -0.13 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 3hlm s THR 128 CO 0.03 0.52 -0.26 0.68 -0.69 0.00 0.00 174.62 174.90 3hlm s VAL 129 N 0.69 2.16 0.28 3.82 -7.23 0.36 -4.90 120.40 115.57 3hlm s VAL 129 Ca -0.11 -1.51 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 3hlm s VAL 129 Cb -0.16 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.81 3hlm s VAL 129 CO 0.02 0.27 1.04 -1.58 -0.31 0.00 0.00 175.10 174.54 3hlm s GLN 130 N -1.51 4.68 0.34 4.82 0.74 0.09 -0.48 119.66 128.35 3hlm s GLN 130 Ca 0.12 1.67 0.06 0.00 0.05 0.00 0.00 55.36 57.27 3hlm s GLN 130 Cb -0.10 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 3hlm s GLN 130 CO 0.03 0.29 0.25 0.95 -0.55 0.00 0.00 175.29 176.27 3hlm s THR 131 N -1.21 0.08 -1.24 -0.34 -4.23 -0.11 -4.66 115.64 103.93 3hlm s THR 131 Ca 0.44 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.77 3hlm s THR 131 Cb -0.29 -2.47 0.08 0.00 1.34 0.00 0.00 72.50 71.16 3hlm s THR 131 CO 0.37 0.00 1.65 -0.63 -0.54 0.00 0.00 174.62 175.47 3hlm s ILE 132 N -3.44 4.23 0.00 2.99 -1.09 -1.26 -1.93 121.20 120.70 3hlm s ILE 132 Ca 0.38 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.94 3hlm s ILE 132 Cb 0.03 -5.13 0.00 0.00 -1.58 0.00 0.00 42.46 35.77 3hlm s ILE 132 CO 0.25 -1.95 0.00 -0.24 -1.23 0.00 0.00 174.94 171.77 3hlm n SER 133 N 8.05 -0.87 0.09 3.58 2.88 -1.14 -1.77 113.62 124.45 3hlm n SER 133 Ca 0.45 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.78 3hlm n SER 133 Cb 0.46 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.43 0.29 0.46 0.00 -1.80 -2.40 103.07 100.05 3hlm h GLY 134 Ca 0.00 -1.09 0.10 0.00 0.00 0.00 0.00 47.33 46.34 3hlm h GLY 134 CO 0.00 0.96 0.18 -0.84 0.00 0.00 0.00 176.54 176.84 3hlm h THR 135 N 0.10 0.71 -0.37 4.70 2.02 -1.92 -0.78 112.91 117.37 3hlm h THR 135 Ca -0.28 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.65 3hlm h THR 135 Cb 2.08 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3hlm h THR 135 CO 0.20 0.06 -0.31 1.23 0.37 0.00 0.00 175.52 177.07 3hlm h GLY 136 N 0.34 0.88 0.91 2.16 0.00 -1.29 0.18 103.07 106.25 3hlm h GLY 136 Ca 0.31 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.84 3hlm h GLY 136 CO -0.35 0.75 0.49 0.00 0.00 0.00 0.00 176.54 177.43 3hlm h ALA 137 N 0.96 0.99 -0.54 3.60 0.00 -1.19 0.76 119.26 123.84 3hlm h ALA 137 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3hlm h ALA 137 Cb 0.86 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3hlm h ALA 137 CO 0.08 0.31 -0.02 -0.07 0.00 0.00 0.00 179.25 179.54 3hlm h LEU 138 N 0.97 0.95 -0.27 0.00 3.38 -0.35 -0.68 115.31 119.32 3hlm h LEU 138 Ca 0.30 -0.32 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3hlm h LEU 138 Cb -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3hlm h LEU 138 CO -0.10 1.04 -0.49 -0.09 0.09 0.00 0.00 178.44 178.89 3hlm h ARG 139 N 0.84 0.81 -0.16 1.13 9.65 -0.52 0.27 114.38 126.41 3hlm h ARG 139 Ca 0.15 -0.51 -0.00 0.00 -1.10 0.00 0.00 59.98 58.52 3hlm h ARG 139 Cb 0.57 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 3hlm h ARG 139 CO 0.03 1.14 0.10 0.28 2.80 0.00 0.00 179.97 184.32 3hlm h VAL 140 N 0.57 1.07 -0.31 0.20 2.07 -0.76 0.38 116.25 119.47 3hlm h VAL 140 Ca 0.02 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3hlm h VAL 140 Cb 1.10 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3hlm h VAL 140 CO 0.11 0.06 -0.20 1.23 0.02 0.00 0.00 177.57 178.80 3hlm h GLY 141 N 0.19 0.62 1.22 2.17 0.00 -1.00 -0.61 103.07 105.66 3hlm h GLY 141 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hlm h GLY 141 CO -0.01 0.44 0.49 0.00 0.00 0.00 0.00 176.54 177.47 3hlm h ALA 142 N 1.28 1.40 -0.00 3.60 0.00 -0.47 0.69 119.26 125.75 3hlm h ALA 142 Ca 0.08 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3hlm h ALA 142 Cb 0.63 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hlm h ALA 142 CO 0.04 0.54 -0.76 0.66 0.00 0.00 0.00 179.25 179.74 3hlm h SER 143 N 1.07 0.01 -0.36 0.00 4.64 -0.00 0.86 113.55 119.76 3hlm h SER 143 Ca 0.28 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.54 3hlm h SER 143 Cb -0.08 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3hlm h SER 143 CO -0.06 0.76 0.01 0.15 -0.87 0.00 0.00 176.83 176.82 3hlm h PHE 144 N 0.01 0.70 -0.21 4.77 3.57 -0.32 -2.67 116.94 122.78 3hlm h PHE 144 Ca -0.01 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 3hlm h PHE 144 Cb 1.34 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3hlm h PHE 144 CO 0.00 0.73 0.13 -0.07 -2.23 0.00 0.00 178.31 176.87 3hlm h LEU 145 N 0.46 0.25 -2.39 0.59 3.38 -0.02 0.69 115.31 118.28 3hlm h LEU 145 Ca 0.10 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hlm h LEU 145 Cb 0.45 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hlm h LEU 145 CO 0.02 0.22 0.05 -0.61 0.09 0.00 0.00 178.44 178.21 3hlm h GLN 146 N 0.26 0.00 0.00 1.13 -0.00 -0.69 0.48 115.11 116.29 3hlm h GLN 146 Ca 0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.42 3hlm h GLN 146 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.44 3hlm h GLN 146 CO -0.01 0.00 -2.14 -2.13 0.00 0.00 0.00 178.83 174.55 3hlm n ARG 147 N -3.86 1.18 0.00 1.69 0.63 -0.86 -4.66 116.66 110.78 3hlm n ARG 147 Ca -0.02 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3hlm n ARG 147 Cb 0.15 -1.42 -0.00 0.00 0.45 0.00 0.00 32.46 31.63 3hlm n ARG 147 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hlm n PHE 148 N -2.69 0.00 -2.73 -0.14 3.72 0.18 -4.87 117.46 110.92 3hlm n PHE 148 Ca -0.29 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.68 3hlm n PHE 148 Cb 1.01 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.54 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 -0.87 2.99 -0.52 1.38 5.36 0.17 -4.82 117.98 121.67 3hlm s PHE 149 Ca 0.00 -1.59 0.26 0.00 -0.96 0.00 0.00 56.93 54.64 3hlm s PHE 149 Cb 0.00 -4.55 0.88 0.00 -0.34 0.00 0.00 43.02 39.01 3hlm s PHE 149 CO 0.01 -1.67 1.76 1.57 -1.46 0.00 0.00 175.22 175.43 3hlm h LYS 150 N 8.07 0.00 0.00 10.12 2.10 -1.89 -3.24 116.57 131.73 3hlm h LYS 150 Ca 0.32 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.92 3hlm h LYS 150 Cb 0.92 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.24 3hlm h LYS 150 CO 1.34 0.00 -0.25 0.74 -2.00 0.00 0.00 179.45 179.28 3hlm h PHE 151 N 0.00 0.00 -1.79 0.07 0.04 -1.87 -3.47 116.94 109.93 3hlm h PHE 151 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3hlm h PHE 151 Cb 0.61 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 38.55 3hlm h PHE 151 CO 0.00 0.25 0.35 0.45 -0.60 0.00 0.00 178.31 178.76 3hlm s SER 152 N -6.31 -0.54 0.00 2.17 0.15 -1.22 -4.87 113.70 103.08 3hlm s SER 152 Ca -0.01 0.69 0.24 0.00 0.70 0.00 0.00 55.95 57.58 3hlm s SER 152 Cb 0.12 0.59 0.34 0.00 -1.71 0.00 0.00 66.02 65.35 3hlm s SER 152 CO 0.64 -0.42 1.30 0.54 1.20 0.00 0.00 173.24 176.50 3hlm n ARG 153 N 1.18 0.09 -3.17 5.44 5.12 -1.26 -4.92 116.66 119.15 3hlm n ARG 153 Ca -0.14 -0.06 -0.39 0.00 -1.93 0.00 0.00 57.85 55.33 3hlm n ARG 153 Cb 0.57 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.32 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 -2.95 6.90 -0.18 0.55 1.01 -1.26 -0.46 116.67 120.29 3hlm s ASP 154 Ca 0.11 1.08 0.01 0.00 0.71 0.00 0.00 52.55 54.46 3hlm s ASP 154 Cb 0.17 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.76 3hlm s ASP 154 CO 0.72 -0.02 -0.17 -0.69 0.21 0.00 0.00 175.17 175.23 3hlm s VAL 155 N 0.44 1.89 -0.37 -1.27 1.01 0.87 -2.32 120.40 120.65 3hlm s VAL 155 Ca 0.32 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3hlm s VAL 155 Cb -0.17 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3hlm s VAL 155 CO 0.16 0.46 0.46 -0.36 0.00 0.00 0.00 175.10 175.82 3hlm s PHE 156 N 1.34 3.18 0.02 5.22 0.40 0.10 -0.16 117.98 128.08 3hlm s PHE 156 Ca 0.04 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 3hlm s PHE 156 Cb -0.14 -2.88 -0.04 0.00 0.51 0.00 0.00 43.02 40.48 3hlm s PHE 156 CO -0.12 -0.57 0.16 -0.51 0.70 0.00 0.00 175.22 174.89 3hlm s LEU 157 N 2.27 4.23 0.73 -0.37 1.43 -0.16 -0.18 118.68 126.63 3hlm s LEU 157 Ca 0.16 0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 3hlm s LEU 157 Cb -0.16 -2.65 0.04 0.00 0.03 0.00 0.00 46.19 43.45 3hlm s LEU 157 CO 0.13 0.23 1.23 -2.16 0.23 0.00 0.00 176.35 176.01 3hlm s PRO 158 N -2.13 2.09 -0.50 1.29 0.04 -1.26 -0.64 135.00 133.89 3hlm s PRO 158 Ca 0.29 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 3hlm s PRO 158 Cb -0.13 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 32.71 3hlm s PRO 158 CO 0.21 -1.90 0.43 0.15 0.04 0.00 0.00 177.00 175.94 3hlm s LYS 159 N -3.83 2.89 0.55 4.56 1.02 -0.12 -2.25 119.74 122.56 3hlm s LYS 159 Ca 0.76 -1.60 0.07 0.00 0.02 0.00 0.00 55.97 55.22 3hlm s LYS 159 Cb -0.31 -4.17 0.07 0.00 -0.52 0.00 0.00 37.83 32.89 3hlm s LYS 159 CO 0.45 -1.20 0.75 -1.25 -0.92 0.00 0.00 175.35 173.18 3hlm s PRO 160 N 1.57 2.40 0.40 -1.68 0.04 -1.26 -1.85 135.00 134.62 3hlm s PRO 160 Ca 0.04 -1.38 0.04 0.00 0.04 0.00 0.00 61.00 59.73 3hlm s PRO 160 Cb -0.27 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 3hlm s PRO 160 CO 0.03 -0.75 0.07 0.45 0.04 0.00 0.00 177.00 176.84 3hlm s SER 161 N -4.56 3.03 0.14 6.66 0.15 -0.95 -4.76 113.70 113.40 3hlm s SER 161 Ca 0.60 -1.55 -0.34 0.00 0.70 0.00 0.00 55.95 55.36 3hlm s SER 161 Cb -0.07 0.24 -0.16 0.00 -1.71 0.00 0.00 66.02 64.31 3hlm s SER 161 CO 0.38 -0.77 1.16 1.87 1.20 0.00 0.00 173.24 177.08 3hlm n TRP 162 N -0.92 1.19 -0.28 3.44 -0.00 -0.90 -4.64 117.44 115.33 3hlm n TRP 162 Ca -0.07 0.72 0.06 0.00 -0.00 0.00 0.00 57.50 58.21 3hlm n TRP 162 Cb 0.66 -2.26 0.29 0.00 -0.00 0.00 0.00 31.31 30.00 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 3.46 1.27 2.00 5.87 0.00 -1.99 -1.49 103.07 112.20 3hlm h GLY 163 Ca -0.44 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.51 3hlm h GLY 163 CO 0.71 0.23 0.00 -0.57 0.00 0.00 0.00 176.54 176.91 3hlm h ASN 164 N 0.91 0.00 -0.46 0.19 -1.24 -2.01 -3.20 115.58 109.77 3hlm h ASN 164 Ca 0.40 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.48 3hlm h ASN 164 Cb 0.35 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.34 3hlm h ASN 164 CO -0.16 0.00 0.14 0.45 -1.29 0.00 0.00 177.43 176.57 3hlm h HIS 165 N 0.00 0.25 0.04 0.67 3.86 -1.62 -2.56 115.15 115.79 3hlm h HIS 165 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3hlm h HIS 165 Cb 0.49 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 3hlm h HIS 165 CO 0.00 0.07 -0.10 1.15 0.86 0.00 0.00 177.93 179.91 3hlm h THR 166 N 0.31 0.00 -0.08 2.45 2.02 -1.74 -2.29 112.91 113.58 3hlm h THR 166 Ca 0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.43 3hlm h THR 166 Cb 0.25 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3hlm h THR 166 CO -0.25 0.00 0.10 1.55 0.37 0.00 0.00 175.52 177.29 3hlm h PRO 167 N -0.16 0.00 -0.31 6.66 0.13 -1.76 0.51 132.00 137.07 3hlm h PRO 167 Ca -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3hlm h PRO 167 Cb 0.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 3hlm h PRO 167 CO -0.05 0.00 0.07 0.82 -0.23 0.00 0.00 178.00 178.62 3hlm h ILE 168 N 0.00 1.22 0.08 -3.56 2.04 -1.12 -0.38 117.51 115.78 3hlm h ILE 168 Ca 0.04 -0.73 -0.25 0.00 1.00 0.00 0.00 64.86 64.91 3hlm h ILE 168 Cb 0.23 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3hlm h ILE 168 CO -0.00 0.24 -1.14 -0.26 0.00 0.00 0.00 178.15 176.99 3hlm h PHE 169 N 0.33 0.30 0.03 1.37 0.04 -0.80 -2.02 116.94 116.19 3hlm h PHE 169 Ca 0.10 -0.22 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 3hlm h PHE 169 Cb 0.30 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3hlm h PHE 169 CO 0.01 1.17 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.79 3hlm h ARG 170 N 0.05 -0.04 -0.18 1.51 9.65 -0.92 -0.26 114.38 124.18 3hlm h ARG 170 Ca -0.08 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 3hlm h ARG 170 Cb 1.89 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.46 3hlm h ARG 170 CO 0.17 0.34 -0.15 -0.44 2.80 0.00 0.00 179.97 182.70 3hlm h ASP 171 N -0.43 0.27 1.14 -3.80 3.32 -1.10 -2.11 116.42 113.71 3hlm h ASP 171 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hlm h ASP 171 Cb 0.40 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3hlm h ASP 171 CO 0.01 0.45 0.00 0.00 -1.72 0.00 0.00 179.24 177.98 3hlm h ALA 172 N 1.58 1.00 0.00 3.45 0.00 -1.27 -3.47 119.26 120.56 3hlm h ALA 172 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hlm h ALA 172 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hlm h ALA 172 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3hlm n GLY 173 N 0.18 1.67 3.89 0.00 0.00 -0.79 -4.80 105.19 105.34 3hlm n GLY 173 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.00 2.51 0.10 1.61 -1.94 -0.17 -4.97 119.30 116.44 3hlm s MET 174 Ca 0.00 -1.57 0.04 0.00 -1.71 0.00 0.00 55.69 52.46 3hlm s MET 174 Cb 0.00 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 3hlm s MET 174 CO 0.00 -0.24 0.05 -0.65 -0.01 0.00 0.00 175.02 174.17 3hlm s GLN 175 N -4.16 2.73 -0.13 2.03 -1.52 0.39 -4.34 119.66 114.67 3hlm s GLN 175 Ca 0.48 -0.78 -0.05 0.00 -1.95 0.00 0.00 55.36 53.06 3hlm s GLN 175 Cb -0.03 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.09 3hlm s GLN 175 CO 0.28 0.54 0.06 -0.51 -0.25 0.00 0.00 175.29 175.41 3hlm s LEU 176 N -2.45 3.88 0.45 2.90 2.01 -1.26 -0.09 118.68 124.11 3hlm s LEU 176 Ca 0.28 0.21 0.03 0.00 0.01 0.00 0.00 54.13 54.66 3hlm s LEU 176 Cb -0.12 -1.93 -0.03 0.00 0.01 0.00 0.00 46.19 44.12 3hlm s LEU 176 CO 0.21 0.32 0.06 -1.10 1.01 0.00 0.00 176.35 176.84 3hlm s GLN 177 N -0.52 2.03 0.21 1.70 -1.52 0.77 -4.88 119.66 117.46 3hlm s GLN 177 Ca 0.10 -2.26 0.07 0.00 -1.95 0.00 0.00 55.36 51.33 3hlm s GLN 177 Cb -0.12 -1.13 -0.05 0.00 -0.22 0.00 0.00 33.01 31.49 3hlm s GLN 177 CO 0.02 -0.37 -0.13 0.20 -0.25 0.00 0.00 175.29 174.76 3hlm s GLY 178 N -3.73 1.45 0.03 3.09 0.00 -1.25 -0.98 107.32 105.92 3hlm s GLY 178 Ca 0.17 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.22 3hlm s GLY 178 CO 0.10 -1.76 -0.05 -2.52 0.00 0.00 0.00 173.10 168.87 3hlm s TYR 179 N -3.00 0.43 0.32 1.90 1.13 0.19 -4.82 117.35 113.49 3hlm s TYR 179 Ca 0.23 -0.54 -0.29 0.00 -1.41 0.00 0.00 57.07 55.06 3hlm s TYR 179 Cb 0.00 -0.28 -0.10 0.00 -1.10 0.00 0.00 41.96 40.48 3hlm s TYR 179 CO 0.07 -0.15 1.40 1.03 -2.51 0.00 0.00 175.55 175.38 3hlm s ARG 180 N -1.59 4.27 0.17 -3.49 0.52 -1.26 -0.94 118.95 116.62 3hlm s ARG 180 Ca -0.13 2.34 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 3hlm s ARG 180 Cb -0.09 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3hlm s ARG 180 CO -0.01 -0.35 0.00 0.98 0.02 0.00 0.00 175.30 175.94 3hlm n TYR 181 N 1.22 -1.64 -2.58 -0.53 9.36 -1.25 -3.61 117.16 118.13 3hlm n TYR 181 Ca 0.02 0.31 -0.34 0.00 3.32 0.00 0.00 57.90 61.22 3hlm n TYR 181 Cb 0.41 0.73 -0.04 0.00 -0.63 0.00 0.00 39.34 39.81 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 -1.54 3.09 -0.30 2.98 5.04 -0.77 -0.55 117.35 125.30 3hlm s TYR 182 Ca 0.00 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.22 3hlm s TYR 182 Cb 0.00 -3.00 0.09 0.00 0.35 0.00 0.00 41.96 39.40 3hlm s TYR 182 CO 0.00 -0.66 0.06 0.34 -1.34 0.00 0.00 175.55 173.95 3hlm s ASP 183 N -2.10 4.18 0.58 4.32 -1.08 0.42 -4.52 116.67 118.46 3hlm s ASP 183 Ca 0.66 -1.68 0.27 0.00 -0.52 0.00 0.00 52.55 51.27 3hlm s ASP 183 Cb -0.14 -1.13 1.67 0.00 -1.46 0.00 0.00 42.92 41.85 3hlm s ASP 183 CO 0.19 -0.37 2.19 -0.65 0.52 0.00 0.00 175.17 177.05 3hlm h PRO 184 N 7.93 0.00 -0.85 4.34 0.11 -1.96 0.10 132.00 141.67 3hlm h PRO 184 Ca -0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 3hlm h PRO 184 Cb 1.03 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3hlm h PRO 184 CO 0.47 0.00 0.43 0.87 -0.21 0.00 0.00 178.00 179.56 3hlm h LYS 185 N 0.00 1.21 -0.13 1.05 1.57 -1.95 -3.23 116.57 115.09 3hlm h LYS 185 Ca 0.03 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3hlm h LYS 185 Cb 0.16 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3hlm h LYS 185 CO -0.00 0.91 0.00 0.25 -0.57 0.00 0.00 179.45 180.04 3hlm n THR 186 N -4.31 0.33 -2.57 -0.16 -2.24 -0.74 -4.95 114.28 99.64 3hlm n THR 186 Ca 0.09 -0.66 -0.09 0.00 -2.27 0.00 0.00 64.05 61.11 3hlm n THR 186 Cb 0.13 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.72 6.27 3.56 0.00 0.00 -1.14 -4.88 105.19 108.28 3hlm n GLY 188 Ca -0.08 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 0.75 3.21 -1.16 1.61 5.36 -1.26 -0.44 117.98 126.04 3hlm s PHE 189 Ca 0.00 0.11 -0.20 0.00 -0.96 0.00 0.00 56.93 55.88 3hlm s PHE 189 Cb 0.00 -2.71 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 3hlm s PHE 189 CO 0.00 -0.41 1.93 -3.47 -1.46 0.00 0.00 175.22 171.80 3hlm n ASP 190 N 5.46 3.57 -0.03 6.13 -0.08 0.29 -4.74 116.55 127.15 3hlm n ASP 190 Ca -0.08 -2.78 -0.10 0.00 -1.51 0.00 0.00 54.79 50.33 3hlm n ASP 190 Cb 0.50 -1.59 -0.03 0.00 2.34 0.00 0.00 41.12 42.34 3hlm n ASP 190 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3hlm h PHE 191 N 8.14 0.09 0.00 -0.67 3.57 -1.93 0.12 116.94 126.25 3hlm h PHE 191 Ca 0.38 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 3hlm h PHE 191 Cb 0.81 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 3hlm h PHE 191 CO 1.31 0.04 -0.03 0.66 -2.23 0.00 0.00 178.31 178.06 3hlm h SER 192 N 0.13 0.00 -0.12 0.41 4.64 -1.98 -1.23 113.55 115.39 3hlm h SER 192 Ca 0.07 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 3hlm h SER 192 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hlm h SER 192 CO -0.08 0.03 -0.27 1.23 -0.87 0.00 0.00 176.83 176.87 3hlm h GLY 193 N 3.36 0.43 0.86 -0.77 0.00 -1.77 -2.18 103.07 103.00 3hlm h GLY 193 Ca -0.00 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 46.82 3hlm h GLY 193 CO 0.00 0.47 0.10 0.00 0.00 0.00 0.00 176.54 177.12 3hlm h ALA 194 N 0.52 0.27 -0.16 3.60 0.00 -0.13 0.61 119.26 123.98 3hlm h ALA 194 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hlm h ALA 194 Cb 0.87 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3hlm h ALA 194 CO 0.06 -0.31 0.08 -0.07 0.00 0.00 0.00 179.25 179.01 3hlm h LEU 195 N 0.22 0.21 -0.25 0.00 3.38 -1.30 0.11 115.31 117.68 3hlm h LEU 195 Ca 0.10 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hlm h LEU 195 Cb 0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3hlm h LEU 195 CO -0.08 0.28 -0.00 -0.08 0.09 0.00 0.00 178.44 178.64 3hlm h GLU 196 N 0.13 0.07 0.04 1.13 4.81 -1.08 -0.14 114.58 119.53 3hlm h GLU 196 Ca 0.05 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3hlm h GLU 196 Cb 0.12 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3hlm h GLU 196 CO -0.01 0.05 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.86 3hlm h ASP 197 N 0.07 -0.06 -0.01 1.04 5.19 -0.61 -2.57 116.42 119.47 3hlm h ASP 197 Ca 0.12 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.49 3hlm h ASP 197 Cb 0.16 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 3hlm h ASP 197 CO -0.20 -0.04 -0.11 0.40 -3.12 0.00 0.00 179.24 176.16 3hlm h ILE 198 N -0.06 1.18 0.00 0.35 2.04 -0.68 -0.20 117.51 120.13 3hlm h ILE 198 Ca -0.00 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3hlm h ILE 198 Cb 0.06 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3hlm h ILE 198 CO -0.00 0.24 -0.04 0.28 0.00 0.00 0.00 178.15 178.63 3hlm h SER 199 N 0.26 0.00 -0.30 1.72 0.02 -0.72 -2.64 113.55 111.88 3hlm h SER 199 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3hlm h SER 199 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3hlm h SER 199 CO 0.02 0.04 0.00 0.29 -1.14 0.00 0.00 176.83 176.04 3hlm n LYS 200 N -3.23 2.16 -2.08 3.45 5.02 -0.13 -4.94 118.16 118.41 3hlm n LYS 200 Ca -0.01 -1.99 -0.42 0.00 -2.02 0.00 0.00 58.31 53.87 3hlm n LYS 200 Cb 0.23 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.22 3.37 0.15 -0.18 1.01 -0.95 -4.95 121.20 118.44 3hlm s ILE 201 Ca 0.29 0.80 -0.34 0.00 0.00 0.00 0.00 60.65 61.40 3hlm s ILE 201 Cb 0.17 -3.51 -0.15 0.00 0.01 0.00 0.00 42.46 38.98 3hlm s ILE 201 CO 0.24 0.00 1.41 -2.65 0.00 0.00 0.00 174.94 173.94 3hlm n PRO 202 N 5.41 1.67 -1.44 2.79 -0.02 -1.26 -4.86 135.00 137.29 3hlm n PRO 202 Ca 0.14 0.60 -0.47 0.00 -2.02 0.00 0.00 63.50 61.76 3hlm n PRO 202 Cb 0.42 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3hlm n PRO 202 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hlm n GLU 203 N 2.63 0.35 -2.21 -0.52 1.02 -1.26 -2.37 120.64 118.28 3hlm n GLU 203 Ca 0.16 0.12 -0.15 0.00 -0.02 0.00 0.00 57.16 57.28 3hlm n GLU 203 Cb 0.26 -1.23 -0.01 0.00 -0.02 0.00 0.00 31.44 30.44 3hlm n GLU 203 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hlm n GLN 204 N 0.93 -1.16 -2.38 3.49 6.02 0.57 -5.00 117.38 119.86 3hlm n GLN 204 Ca 0.15 0.73 -0.24 0.00 -0.01 0.00 0.00 57.00 57.64 3hlm n GLN 204 Cb 0.28 -5.03 0.07 0.00 1.02 0.00 0.00 30.24 26.58 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 -2.38 4.87 -0.17 1.08 0.01 -1.00 -4.20 113.70 111.91 3hlm s SER 205 Ca 0.00 0.20 -0.08 0.00 1.31 0.00 0.00 55.95 57.38 3hlm s SER 205 Cb 0.00 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 3hlm s SER 205 CO 0.00 -1.51 0.10 -0.69 0.41 0.00 0.00 173.24 171.56 3hlm s VAL 206 N -3.09 5.16 -0.25 3.43 1.01 -0.98 -0.78 120.40 124.90 3hlm s VAL 206 Ca 0.60 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 3hlm s VAL 206 Cb -0.10 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3hlm s VAL 206 CO 0.43 0.49 -0.03 -0.22 0.00 0.00 0.00 175.10 175.78 3hlm s LEU 207 N -0.01 3.24 -0.21 3.92 0.20 0.93 0.02 118.68 126.77 3hlm s LEU 207 Ca 0.08 -0.69 -0.19 0.00 0.69 0.00 0.00 54.13 54.02 3hlm s LEU 207 Cb -0.12 -1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 3hlm s LEU 207 CO 0.00 -0.11 0.54 -0.22 -0.29 0.00 0.00 176.35 176.27 3hlm s LEU 208 N 1.41 4.13 -0.16 -0.68 0.20 0.74 -0.12 118.68 124.19 3hlm s LEU 208 Ca 0.02 0.68 -0.00 0.00 0.69 0.00 0.00 54.13 55.53 3hlm s LEU 208 Cb -0.16 -2.73 0.00 0.00 -0.43 0.00 0.00 46.19 42.87 3hlm s LEU 208 CO -0.03 -0.21 -0.15 -0.76 -0.29 0.00 0.00 176.35 174.91 3hlm s LEU 209 N 1.77 2.48 0.03 -0.68 1.43 0.22 -4.35 118.68 119.58 3hlm s LEU 209 Ca 0.24 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 3hlm s LEU 209 Cb -0.15 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 3hlm s LEU 209 CO 0.10 0.06 1.58 -1.00 0.23 0.00 0.00 176.35 177.32 3hlm s HIS 210 N 0.94 2.47 0.18 0.29 3.76 -1.26 -0.76 115.29 120.91 3hlm s HIS 210 Ca -0.03 0.44 -0.09 0.00 -0.15 0.00 0.00 55.06 55.23 3hlm s HIS 210 Cb -0.15 -3.87 0.06 0.00 1.11 0.00 0.00 32.58 29.73 3hlm s HIS 210 CO -0.02 -3.47 1.61 0.00 -0.85 0.00 0.00 174.74 172.01 3hlm h ALA 211 N 8.39 0.79 -1.54 -1.40 0.00 -1.47 -3.46 119.26 120.56 3hlm h ALA 211 Ca -0.41 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.24 3hlm h ALA 211 Cb 1.19 -0.20 -0.25 0.00 0.00 0.00 0.00 17.79 18.53 3hlm h ALA 211 CO 0.93 0.67 0.53 0.00 0.00 0.00 0.00 179.25 181.38 3hlm n ALA 213 N 1.52 -2.50 -1.56 0.00 0.00 -1.26 -4.57 120.51 112.13 3hlm n ALA 213 Ca -0.11 0.06 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 3hlm n ALA 213 Cb 0.57 -3.88 -0.01 0.00 0.00 0.00 0.00 19.45 16.13 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 -2.64 0.89 -4.13 0.00 -0.00 -1.26 -4.79 115.22 103.30 3hlm n HIS 214 Ca -0.04 0.68 -0.29 0.00 0.46 0.00 0.00 57.72 58.52 3hlm n HIS 214 Cb 0.57 -2.19 -0.17 0.00 -0.12 0.00 0.00 29.99 28.08 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 -0.68 2.58 0.00 0.26 3.84 -1.26 -1.24 114.94 118.44 3hlm s ASN 215 Ca 0.60 -0.46 0.24 0.00 0.21 0.00 0.00 52.86 53.46 3hlm s ASN 215 Cb -0.68 -1.13 0.32 0.00 -0.55 0.00 0.00 41.25 39.21 3hlm s ASN 215 CO 0.59 -0.04 1.28 -0.81 -2.79 0.00 0.00 177.10 175.33 3hlm n PRO 216 N 4.63 0.33 0.08 0.43 -0.04 -1.26 -2.13 135.00 137.04 3hlm n PRO 216 Ca -0.17 -0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 62.84 3hlm n PRO 216 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 3hlm n PRO 216 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3hlm h THR 217 N 0.57 1.32 0.00 0.52 1.35 -1.86 -3.26 112.91 111.55 3hlm h THR 217 Ca 0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 3hlm h THR 217 Cb 0.53 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 3hlm h THR 217 CO 0.00 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 3hlm n GLY 218 N 1.39 0.53 3.71 5.82 0.00 -0.38 -1.90 105.19 114.36 3hlm n GLY 218 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.22 4.89 0.17 1.61 1.01 -1.26 -0.37 120.40 124.23 3hlm s VAL 219 Ca 0.00 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.04 3hlm s VAL 219 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3hlm s VAL 219 CO 0.00 0.17 -0.13 -1.81 0.00 0.00 0.00 175.10 173.33 3hlm s ASP 220 N 0.98 2.18 0.37 3.32 1.11 -1.26 -4.03 116.67 119.34 3hlm s ASP 220 Ca 0.50 -0.97 -0.24 0.00 0.18 0.00 0.00 52.55 52.03 3hlm s ASP 220 Cb -0.21 -0.08 -0.10 0.00 1.07 0.00 0.00 42.92 43.60 3hlm s ASP 220 CO 0.27 -0.22 0.95 -2.84 1.18 0.00 0.00 175.17 174.52 3hlm s PRO 221 N -3.45 4.41 0.65 8.23 0.02 -1.26 -4.82 135.00 138.78 3hlm s PRO 221 Ca 0.17 1.26 -0.13 0.00 0.02 0.00 0.00 61.00 62.33 3hlm s PRO 221 Cb -0.01 -2.54 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 3hlm s PRO 221 CO 0.04 0.13 1.06 1.03 -0.33 0.00 0.00 177.00 178.92 3hlm s ARG 222 N -2.53 3.09 0.20 5.54 0.52 -1.26 -4.79 118.95 119.72 3hlm s ARG 222 Ca 0.55 1.05 -0.19 0.00 -0.52 0.00 0.00 55.73 56.63 3hlm s ARG 222 Cb -0.15 -2.01 0.16 0.00 0.52 0.00 0.00 34.95 33.47 3hlm s ARG 222 CO 0.20 -0.98 1.59 -1.35 0.02 0.00 0.00 175.30 174.77 3hlm h PRO 223 N -0.26 -0.12 -0.50 3.54 0.11 -1.99 -0.03 132.00 132.76 3hlm h PRO 223 Ca -0.45 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.70 3hlm h PRO 223 Cb 1.21 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3hlm h PRO 223 CO 0.57 -0.08 0.33 1.05 -0.21 0.00 0.00 178.00 179.66 3hlm h GLU 224 N -0.13 0.53 -0.37 1.05 9.09 -1.99 0.29 114.58 123.05 3hlm h GLU 224 Ca 0.26 -0.03 -0.12 0.00 0.05 0.00 0.00 59.36 59.51 3hlm h GLU 224 Cb 0.55 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 3hlm h GLU 224 CO -0.71 0.35 -0.27 1.96 0.05 0.00 0.00 179.01 180.39 3hlm h GLN 225 N 0.55 0.77 -0.46 1.06 4.20 -1.69 -2.86 115.11 116.68 3hlm h GLN 225 Ca 0.20 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3hlm h GLN 225 Cb 0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3hlm h GLN 225 CO -0.05 0.95 0.16 -1.49 -0.67 0.00 0.00 178.83 177.74 3hlm h TRP 226 N 0.66 0.72 -0.73 2.96 4.06 0.93 -2.36 115.95 122.18 3hlm h TRP 226 Ca 0.08 -0.06 0.15 0.00 2.06 0.00 0.00 58.89 61.12 3hlm h TRP 226 Cb 0.79 -0.21 -0.14 0.00 -1.00 0.00 0.00 29.16 28.60 3hlm h TRP 226 CO 0.04 0.63 -0.16 0.87 -3.56 0.00 0.00 178.44 176.26 3hlm h LYS 227 N 0.60 0.01 -0.32 0.49 1.57 -0.46 0.53 116.57 118.99 3hlm h LYS 227 Ca 0.15 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 3hlm h LYS 227 Cb 0.23 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3hlm h LYS 227 CO -0.01 0.01 -0.34 1.49 -0.57 0.00 0.00 179.45 180.02 3hlm h GLU 228 N 0.01 0.71 -0.09 3.15 4.57 -1.24 -1.90 114.58 119.80 3hlm h GLU 228 Ca 0.36 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3hlm h GLU 228 Cb 0.56 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3hlm h GLU 228 CO -0.75 0.95 0.06 0.82 -1.18 0.00 0.00 179.01 178.91 3hlm h ILE 229 N 0.60 1.04 -0.52 2.32 2.04 -0.86 -2.25 117.51 119.87 3hlm h ILE 229 Ca 0.06 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.93 3hlm h ILE 229 Cb 0.87 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 3hlm h ILE 229 CO 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 178.15 178.22 3hlm h ALA 230 N 1.01 0.45 0.00 1.87 0.00 -0.72 0.12 119.26 121.99 3hlm h ALA 230 Ca 0.03 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3hlm h ALA 230 Cb 0.01 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hlm h ALA 230 CO -0.01 -0.41 -0.45 0.66 0.00 0.00 0.00 179.25 179.04 3hlm h SER 231 N 0.07 0.00 -0.35 0.00 4.64 -1.32 -1.75 113.55 114.85 3hlm h SER 231 Ca 0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 3hlm h SER 231 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3hlm h SER 231 CO -0.47 0.45 0.02 0.58 -0.87 0.00 0.00 176.83 176.55 3hlm h VAL 232 N 0.00 1.25 -0.81 0.95 2.07 -0.83 -1.33 116.25 117.54 3hlm h VAL 232 Ca -0.00 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.65 3hlm h VAL 232 Cb 1.00 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3hlm h VAL 232 CO 0.06 0.30 0.51 0.58 0.02 0.00 0.00 177.57 179.04 3hlm h VAL 233 N 0.42 1.07 -0.24 2.57 2.07 -0.74 0.39 116.25 121.79 3hlm h VAL 233 Ca 0.10 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 3hlm h VAL 233 Cb 0.41 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3hlm h VAL 233 CO 0.01 0.17 -0.39 0.50 0.02 0.00 0.00 177.57 177.89 3hlm h LYS 234 N 0.96 0.56 0.21 1.57 1.63 -1.34 -1.20 116.57 118.96 3hlm h LYS 234 Ca 0.34 -0.28 -0.30 0.00 -0.85 0.00 0.00 60.65 59.57 3hlm h LYS 234 Cb 0.09 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3hlm h LYS 234 CO -0.14 0.86 -1.29 0.87 -3.45 0.00 0.00 179.45 176.29 3hlm h LYS 235 N 0.46 0.49 -0.45 1.90 1.57 0.08 -3.22 116.57 117.41 3hlm h LYS 235 Ca 0.04 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 3hlm h LYS 235 Cb 0.88 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3hlm h LYS 235 CO 0.08 1.39 0.00 1.63 -0.57 0.00 0.00 179.45 181.97 3hlm n LYS 236 N -3.83 2.00 -3.82 3.15 5.02 0.12 -4.95 118.16 115.85 3hlm n LYS 236 Ca -0.16 -1.24 -0.26 0.00 -2.02 0.00 0.00 58.31 54.62 3hlm n LYS 236 Cb 1.02 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 34.64 3hlm n LYS 236 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hlm n ASN 237 N 0.43 -1.93 -4.94 4.39 5.15 -0.54 -3.74 115.26 114.08 3hlm n ASN 237 Ca 0.11 -0.97 -0.27 0.00 -0.60 0.00 0.00 54.58 52.85 3hlm n ASN 237 Cb 0.37 -3.35 -0.03 0.00 -0.53 0.00 0.00 39.78 36.24 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 -6.76 4.31 -0.24 1.20 1.43 -0.71 -0.31 118.68 117.59 3hlm s LEU 238 Ca 0.14 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.34 3hlm s LEU 238 Cb -0.05 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3hlm s LEU 238 CO 0.86 0.04 0.33 0.12 0.23 0.00 0.00 176.35 177.93 3hlm s PHE 239 N -1.76 3.30 -0.34 0.29 5.36 0.04 -4.82 117.98 120.05 3hlm s PHE 239 Ca 0.36 0.42 -0.13 0.00 -0.96 0.00 0.00 56.93 56.62 3hlm s PHE 239 Cb -0.11 -2.49 -0.02 0.00 -0.34 0.00 0.00 43.02 40.06 3hlm s PHE 239 CO 0.29 -0.10 0.26 0.00 -1.46 0.00 0.00 175.22 174.21 3hlm s ALA 240 N 1.62 3.51 -0.46 11.12 0.00 -1.26 -0.05 121.76 136.24 3hlm s ALA 240 Ca 0.14 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 3hlm s ALA 240 Cb -0.15 -2.69 0.11 0.00 0.00 0.00 0.00 23.12 20.39 3hlm s ALA 240 CO 0.08 -0.98 0.33 0.12 0.00 0.00 0.00 175.76 175.31 3hlm s PHE 241 N 1.78 3.42 -0.20 0.00 5.36 0.82 -2.07 117.98 127.10 3hlm s PHE 241 Ca 0.07 -1.84 -0.24 0.00 -0.96 0.00 0.00 56.93 53.96 3hlm s PHE 241 Cb -0.17 -3.41 -0.01 0.00 -0.34 0.00 0.00 43.02 39.08 3hlm s PHE 241 CO 0.11 -0.97 0.78 -0.06 -1.46 0.00 0.00 175.22 173.61 3hlm s PHE 242 N 1.36 3.38 -0.43 10.12 0.40 -0.16 -0.61 117.98 132.04 3hlm s PHE 242 Ca 0.05 1.13 -0.15 0.00 -0.60 0.00 0.00 56.93 57.37 3hlm s PHE 242 Cb -0.26 -2.97 0.04 0.00 0.51 0.00 0.00 43.02 40.35 3hlm s PHE 242 CO -0.00 -0.27 0.32 0.34 0.70 0.00 0.00 175.22 176.31 3hlm s ASP 243 N 1.23 6.07 -0.72 1.36 2.15 0.06 -1.32 116.67 125.49 3hlm s ASP 243 Ca 0.35 -1.09 0.02 0.00 0.43 0.00 0.00 52.55 52.26 3hlm s ASP 243 Cb -0.16 -2.15 0.18 0.00 -0.30 0.00 0.00 42.92 40.49 3hlm s ASP 243 CO 0.10 -0.52 0.53 -0.32 -0.17 0.00 0.00 175.17 174.80 3hlm s MET 244 N 1.64 2.64 0.00 4.34 -2.45 -0.27 -1.08 119.30 124.12 3hlm s MET 244 Ca 0.04 -3.12 0.26 0.00 -1.25 0.00 0.00 55.69 51.63 3hlm s MET 244 Cb -0.21 -3.60 0.72 0.00 1.25 0.00 0.00 34.83 32.98 3hlm s MET 244 CO 0.08 -1.24 1.54 0.00 1.05 0.00 0.00 175.02 176.46 3hlm n ALA 245 N 2.44 3.15 -1.93 4.11 0.00 -1.26 -2.94 120.51 124.08 3hlm n ALA 245 Ca 0.16 -0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.23 3hlm n ALA 245 Cb 0.35 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.78 0.00 -1.66 0.00 4.01 -1.26 -4.59 117.16 112.88 3hlm n TYR 246 Ca 0.11 -0.31 -0.53 0.00 -0.16 0.00 0.00 57.90 57.01 3hlm n TYR 246 Cb 0.35 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.19 1.46 0.00 -0.72 7.27 -1.26 -1.39 117.38 122.55 3hlm n GLN 247 Ca 0.04 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.65 3hlm n GLN 247 Cb 0.77 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 31.18 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 3.58 2.17 0.38 1.69 0.00 -1.26 -4.67 105.19 107.07 3hlm n GLY 248 Ca 0.22 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.58 0.19 1.61 3.57 -1.72 0.71 116.94 121.88 3hlm h PHE 249 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hlm h PHE 249 Cb 0.00 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3hlm h PHE 249 CO 0.00 0.22 -0.09 0.00 -2.23 0.00 0.00 178.31 176.21 3hlm h ALA 250 N 1.63 -0.26 0.00 2.41 0.00 -1.50 -3.35 119.26 118.19 3hlm h ALA 250 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hlm h ALA 250 Cb 0.79 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hlm h ALA 250 CO -0.14 -0.55 -0.14 -1.13 0.00 0.00 0.00 179.25 177.28 3hlm n SER 251 N -5.12 0.71 0.00 0.00 3.41 -1.13 -3.56 113.62 107.93 3hlm n SER 251 Ca -0.09 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3hlm n SER 251 Cb 0.19 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.68 0.61 2.85 5.00 0.00 0.25 -4.79 105.19 109.79 3hlm n GLY 252 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.89 4.26 0.31 1.61 -1.08 -1.25 -4.37 116.67 113.27 3hlm s ASP 253 Ca 0.00 -2.11 0.08 0.00 -0.52 0.00 0.00 52.55 50.00 3hlm s ASP 253 Cb 0.00 -1.24 0.82 0.00 -1.46 0.00 0.00 42.92 41.04 3hlm s ASP 253 CO 0.00 -0.36 1.75 1.23 0.52 0.00 0.00 175.17 178.31 3hlm h GLY 254 N 7.55 1.84 1.23 2.66 0.00 -1.91 0.17 103.07 114.61 3hlm h GLY 254 Ca -0.08 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.75 3hlm h GLY 254 CO 0.51 -0.15 -0.46 -0.55 0.00 0.00 0.00 176.54 175.89 3hlm h ASP 255 N 0.67 0.90 -0.15 0.19 3.32 -1.95 -2.46 116.42 116.94 3hlm h ASP 255 Ca 0.61 -0.44 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 3hlm h ASP 255 Cb 1.07 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 3hlm h ASP 255 CO -0.43 1.22 -0.56 0.50 -1.72 0.00 0.00 179.24 178.25 3hlm h LYS 256 N 0.66 0.75 -0.23 3.56 3.64 -1.21 -2.64 116.57 121.10 3hlm h LYS 256 Ca 0.04 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 3hlm h LYS 256 Cb 1.04 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3hlm h LYS 256 CO 0.10 1.10 0.02 -0.44 -2.27 0.00 0.00 179.45 177.97 3hlm h ASP 257 N 0.57 0.31 -0.52 4.20 3.32 -0.79 -2.20 116.42 121.31 3hlm h ASP 257 Ca 0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hlm h ASP 257 Cb 1.14 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3hlm h ASP 257 CO 0.12 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 3hlm n ALA 258 N -2.49 2.68 -0.06 3.45 0.00 -0.94 -4.47 120.51 118.68 3hlm n ALA 258 Ca 0.00 -1.52 -0.08 0.00 0.00 0.00 0.00 53.44 51.84 3hlm n ALA 258 Cb 0.18 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 3.17 0.13 0.17 0.00 7.01 -1.01 -1.24 115.95 124.17 3hlm h TRP 259 Ca 0.00 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 3hlm h TRP 259 Cb 1.16 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.20 3hlm h TRP 259 CO 0.52 0.06 -0.08 0.00 -2.79 0.00 0.00 178.44 176.14 3hlm h ALA 260 N 1.16 -0.23 -0.59 2.65 0.00 -1.79 0.16 119.26 120.62 3hlm h ALA 260 Ca 0.11 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3hlm h ALA 260 Cb 0.09 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 3hlm h ALA 260 CO -0.12 -0.53 -0.20 0.28 0.00 0.00 0.00 179.25 178.67 3hlm h VAL 261 N -0.43 0.33 -0.50 0.00 2.07 -1.86 -1.55 116.25 114.31 3hlm h VAL 261 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3hlm h VAL 261 Cb 0.33 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3hlm h VAL 261 CO 0.04 0.00 0.23 0.03 0.02 0.00 0.00 177.57 177.89 3hlm h ARG 262 N -0.06 0.70 -0.11 1.57 3.08 -0.50 -2.62 114.38 116.44 3hlm h ARG 262 Ca 0.27 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3hlm h ARG 262 Cb 0.48 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3hlm h ARG 262 CO -0.63 0.56 -0.05 1.25 -1.07 0.00 0.00 179.97 180.02 3hlm h HIS 263 N 0.70 0.27 -0.63 3.04 2.76 -0.06 -1.39 115.15 119.83 3hlm h HIS 263 Ca 0.17 -0.07 0.13 0.00 -2.20 0.00 0.00 60.37 58.40 3hlm h HIS 263 Cb 0.10 -0.06 -0.09 0.00 1.55 0.00 0.00 27.41 28.90 3hlm h HIS 263 CO 0.01 0.58 0.11 0.74 -1.30 0.00 0.00 177.93 178.07 3hlm h PHE 264 N -0.12 0.17 -0.42 5.26 -1.00 -1.03 -0.13 116.94 119.68 3hlm h PHE 264 Ca 0.03 0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 3hlm h PHE 264 Cb 0.51 0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 3hlm h PHE 264 CO 0.07 -0.07 0.12 0.82 -1.61 0.00 0.00 178.31 177.63 3hlm h ILE 265 N 0.23 1.22 -0.76 -0.55 2.04 -1.34 -1.68 117.51 116.67 3hlm h ILE 265 Ca 0.34 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.48 3hlm h ILE 265 Cb 0.53 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3hlm h ILE 265 CO -0.45 0.26 0.50 -0.08 0.00 0.00 0.00 178.15 178.38 3hlm h GLU 266 N 0.53 0.88 0.00 2.37 4.81 -0.08 0.62 114.58 123.71 3hlm h GLU 266 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3hlm h GLU 266 Cb 0.28 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3hlm h GLU 266 CO -0.00 0.58 0.00 1.04 -0.73 0.00 0.00 179.01 179.90 3hlm n GLN 267 N -4.46 0.57 -0.47 1.92 1.13 -0.18 -4.88 117.38 111.02 3hlm n GLN 267 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 3hlm n GLN 267 Cb 0.13 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.18 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 0.12 0.73 3.50 1.08 0.00 0.21 -5.04 105.19 105.79 3hlm n GLY 268 Ca 0.08 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 5.24 -0.92 -0.61 1.01 -0.66 -5.01 121.20 118.25 3hlm s ILE 269 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.07 3hlm s ILE 269 Cb 0.00 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.79 3hlm s ILE 269 CO 0.00 -0.10 1.23 0.20 0.00 0.00 0.00 174.94 176.27 3hlm s ASN 270 N 1.70 6.51 0.71 3.58 0.01 -1.26 -3.95 114.94 122.24 3hlm s ASN 270 Ca 0.06 -1.63 -0.07 0.00 -0.71 0.00 0.00 52.86 50.50 3hlm s ASN 270 Cb -0.18 -2.47 0.06 0.00 0.41 0.00 0.00 41.25 39.07 3hlm s ASN 270 CO 0.10 -1.31 1.02 0.68 -1.51 0.00 0.00 177.10 176.09 3hlm s VAL 271 N 3.82 2.37 0.41 1.60 -7.23 -1.26 -4.72 120.40 115.39 3hlm s VAL 271 Ca 0.36 -0.21 0.07 0.00 -1.81 0.00 0.00 61.98 60.40 3hlm s VAL 271 Cb -0.05 -3.04 -0.07 0.00 0.56 0.00 0.00 36.38 33.78 3hlm s VAL 271 CO -0.06 -0.05 0.07 0.00 -0.31 0.00 0.00 175.10 174.75 3hlm s LEU 273 N -3.78 -0.92 -0.27 0.00 2.96 -0.07 -0.98 118.68 115.62 3hlm s LEU 273 Ca 0.37 1.35 -0.12 0.00 -0.22 0.00 0.00 54.13 55.52 3hlm s LEU 273 Cb 0.07 1.97 -0.05 0.00 0.50 0.00 0.00 46.19 48.68 3hlm s LEU 273 CO 0.20 -0.22 0.23 0.00 -1.32 0.00 0.00 176.35 175.23 3hlm s GLN 275 N 1.73 3.08 0.05 0.00 -0.21 0.15 -1.12 119.66 123.35 3hlm s GLN 275 Ca 0.09 -0.36 0.09 0.00 0.02 0.00 0.00 55.36 55.19 3hlm s GLN 275 Cb -0.16 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 3hlm s GLN 275 CO 0.10 0.70 -0.24 0.45 -2.12 0.00 0.00 175.29 174.19 3hlm s SER 276 N -0.87 3.40 -0.06 5.90 0.15 -1.15 -1.61 113.70 119.46 3hlm s SER 276 Ca 0.13 -0.55 0.12 0.00 0.70 0.00 0.00 55.95 56.35 3hlm s SER 276 Cb -0.11 -0.39 0.34 0.00 -1.71 0.00 0.00 66.02 64.14 3hlm s SER 276 CO 0.03 0.25 1.27 -1.22 1.20 0.00 0.00 173.24 174.76 3hlm n TYR 277 N 1.61 0.52 0.00 3.44 4.02 -0.55 -4.70 117.16 121.50 3hlm n TYR 277 Ca -0.17 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.07 3hlm n TYR 277 Cb 0.52 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 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 -0.07 1.24 0.00 -0.72 0.00 -1.26 -2.61 120.51 117.09 3hlm n ALA 278 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3hlm n ALA 278 Cb 0.56 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.08 0.00 -0.08 0.00 0.23 -1.26 -1.94 115.26 111.13 3hlm n ASN 280 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 3hlm n ASN 280 Cb 0.01 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.77 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 -0.02 2.46 -4.35 -3.83 2.81 -1.14 -4.77 117.12 108.27 3hlm n MET 281 Ca 0.00 -1.90 -0.39 0.00 -1.81 0.00 0.00 57.70 53.60 3hlm n MET 281 Cb 0.00 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 31.27 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 -0.74 -0.43 0.91 3.03 0.00 -0.96 -4.73 105.19 102.26 3hlm n GLY 282 Ca 0.06 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.26 2.62 0.00 0.99 4.77 -0.82 -4.82 117.00 115.49 3hlm n LEU 283 Ca 0.09 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 3hlm n LEU 283 Cb 0.48 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3hlm n LEU 283 CO 0.90 0.51 0.00 -1.22 -1.33 0.00 0.00 177.39 176.25 3hlm n TYR 284 N 0.56 0.00 1.02 -1.77 4.01 -1.11 0.12 117.16 119.98 3hlm n TYR 284 Ca 0.14 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.99 3hlm n TYR 284 Cb 0.48 -0.10 0.33 0.00 -0.31 0.00 0.00 39.34 39.74 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 -0.75 0.65 0.14 2.72 0.00 -1.26 -2.88 105.19 103.81 3hlm n GLY 285 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.53 3hlm n GLY 285 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hlm h GLU 286 N 2.92 0.00 -4.77 1.61 4.39 0.51 -3.49 114.58 115.75 3hlm h GLU 286 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3hlm h GLU 286 Cb 0.64 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3hlm h GLU 286 CO 0.00 0.46 -0.04 0.54 -1.16 0.00 0.00 179.01 178.82 3hlm n ARG 287 N -3.19 -1.02 -3.98 2.33 5.12 -1.14 -4.57 116.66 110.21 3hlm n ARG 287 Ca 0.01 1.21 -0.34 0.00 -1.93 0.00 0.00 57.85 56.80 3hlm n ARG 287 Cb 0.74 -4.68 -0.15 0.00 -1.16 0.00 0.00 32.46 27.21 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 -3.02 2.75 0.30 1.55 1.01 -1.26 -2.90 120.40 118.84 3hlm s VAL 288 Ca 0.02 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3hlm s VAL 288 Cb -0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3hlm s VAL 288 CO 0.56 0.25 0.40 -0.83 0.00 0.00 0.00 175.10 175.48 3hlm s GLY 289 N 1.32 1.35 -0.01 4.51 0.00 -0.81 -1.49 107.32 112.19 3hlm s GLY 289 Ca 0.01 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.15 3hlm s GLY 289 CO -0.06 -1.03 0.24 0.00 0.00 0.00 0.00 173.10 172.26 3hlm s ALA 290 N -3.48 -0.61 -0.13 3.20 0.00 -0.63 -0.93 121.76 119.18 3hlm s ALA 290 Ca 0.31 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3hlm s ALA 290 Cb 0.01 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3hlm s ALA 290 CO 0.17 -0.24 -0.22 0.12 0.00 0.00 0.00 175.76 175.60 3hlm s PHE 291 N -1.32 2.65 -0.10 0.00 5.36 0.37 0.34 117.98 125.29 3hlm s PHE 291 Ca -0.14 -1.21 0.02 0.00 -0.96 0.00 0.00 56.93 54.64 3hlm s PHE 291 Cb -0.06 -1.79 0.01 0.00 -0.34 0.00 0.00 43.02 40.85 3hlm s PHE 291 CO 0.03 -0.53 -0.15 0.99 -1.46 0.00 0.00 175.22 174.10 3hlm s THR 292 N 0.65 1.44 -0.24 0.12 2.01 0.60 -0.49 115.64 119.73 3hlm s THR 292 Ca -0.11 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 3hlm s THR 292 Cb -0.16 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 3hlm s THR 292 CO 0.02 0.43 0.03 -0.69 -0.69 0.00 0.00 174.62 173.72 3hlm s VAL 293 N 0.92 4.02 0.13 3.82 1.01 0.43 -0.89 120.40 129.83 3hlm s VAL 293 Ca -0.08 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 3hlm s VAL 293 Cb -0.15 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 3hlm s VAL 293 CO -0.00 0.37 0.85 -0.69 0.00 0.00 0.00 175.10 175.62 3hlm s VAL 294 N 1.55 4.46 0.35 2.92 1.01 -0.28 -1.73 120.40 128.67 3hlm s VAL 294 Ca 0.06 1.84 0.04 0.00 0.00 0.00 0.00 61.98 63.92 3hlm s VAL 294 Cb -0.15 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 3hlm s VAL 294 CO 0.01 0.42 0.06 0.00 0.00 0.00 0.00 175.10 175.60 3hlm h LYS 296 N 2.01 0.28 -2.75 0.00 3.64 -1.97 -3.44 116.57 114.34 3hlm h LYS 296 Ca -0.41 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 58.89 3hlm h LYS 296 Cb 1.25 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 3hlm h LYS 296 CO 0.69 0.75 0.38 0.16 -2.27 0.00 0.00 179.45 179.16 3hlm s ASP 297 N -6.89 -0.10 0.38 4.20 1.47 -1.26 -4.97 116.67 109.49 3hlm s ASP 297 Ca -0.05 -0.75 0.07 0.00 1.18 0.00 0.00 52.55 53.01 3hlm s ASP 297 Cb 0.12 0.67 0.77 0.00 -0.34 0.00 0.00 42.92 44.14 3hlm s ASP 297 CO 0.80 -1.28 1.96 0.00 0.68 0.00 0.00 175.17 177.32 3hlm h ALA 298 N 2.00 1.55 -0.04 2.11 0.00 -1.81 -2.40 119.26 120.67 3hlm h ALA 298 Ca -0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hlm h ALA 298 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hlm h ALA 298 CO 0.32 0.34 0.02 1.49 0.00 0.00 0.00 179.25 181.41 3hlm h GLU 299 N 0.43 0.06 -1.00 0.00 4.22 -1.96 -2.70 114.58 113.62 3hlm h GLU 299 Ca 0.10 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.55 3hlm h GLU 299 Cb 0.19 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3hlm h GLU 299 CO -0.00 0.18 0.66 1.49 -2.18 0.00 0.00 179.01 179.16 3hlm h GLU 300 N -0.08 1.30 -0.51 1.92 4.81 -1.92 -1.70 114.58 118.41 3hlm h GLU 300 Ca 0.01 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3hlm h GLU 300 Cb 0.15 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3hlm h GLU 300 CO -0.00 0.86 0.34 0.00 -0.73 0.00 0.00 179.01 179.48 3hlm h ALA 301 N 1.38 1.78 -0.57 2.92 0.00 -1.24 0.15 119.26 123.68 3hlm h ALA 301 Ca 0.37 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3hlm h ALA 301 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hlm h ALA 301 CO -0.09 0.15 -0.03 0.87 0.00 0.00 0.00 179.25 180.15 3hlm h LYS 302 N 0.55 1.01 0.04 0.00 1.57 -0.99 0.49 116.57 119.24 3hlm h LYS 302 Ca 0.21 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3hlm h LYS 302 Cb 0.14 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3hlm h LYS 302 CO -0.05 1.01 -0.02 0.00 -0.57 0.00 0.00 179.45 179.81 3hlm h ARG 303 N 0.92 -0.05 -0.44 3.15 3.08 -1.10 -0.28 114.38 119.65 3hlm h ARG 303 Ca 0.16 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.28 3hlm h ARG 303 Cb 0.57 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 3hlm h ARG 303 CO 0.03 0.51 0.12 0.28 -1.07 0.00 0.00 179.97 179.85 3hlm h VAL 304 N -0.67 0.81 -0.69 2.04 2.07 -0.99 -1.60 116.25 117.23 3hlm h VAL 304 Ca -0.01 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.53 3hlm h VAL 304 Cb 0.59 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3hlm h VAL 304 CO 0.01 0.05 0.29 -0.08 0.02 0.00 0.00 177.57 177.85 3hlm h GLU 305 N 0.27 0.46 -0.76 1.57 4.81 0.25 -1.21 114.58 119.98 3hlm h GLU 305 Ca 0.21 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3hlm h GLU 305 Cb 0.24 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3hlm h GLU 305 CO -0.24 0.30 0.50 0.66 -0.73 0.00 0.00 179.01 179.50 3hlm h SER 306 N 0.47 0.78 1.19 1.04 4.64 -0.06 -1.24 113.55 120.38 3hlm h SER 306 Ca 0.36 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.54 3hlm h SER 306 Cb 0.47 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3hlm h SER 306 CO -0.33 0.53 -0.63 1.56 -0.87 0.00 0.00 176.83 177.08 3hlm h GLN 307 N 0.90 0.00 -0.35 4.77 1.08 -1.03 -1.35 115.11 119.13 3hlm h GLN 307 Ca 0.31 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.34 3hlm h GLN 307 Cb 0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3hlm h GLN 307 CO -0.09 0.63 -0.43 -0.07 -0.95 0.00 0.00 178.83 177.92 3hlm h LEU 308 N 0.00 0.98 -0.31 1.46 3.38 -0.60 -2.06 115.31 118.15 3hlm h LEU 308 Ca -0.01 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.53 3hlm h LEU 308 Cb 1.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3hlm h LEU 308 CO 0.08 1.26 0.13 0.11 0.09 0.00 0.00 178.44 180.11 3hlm h LYS 309 N 0.73 0.27 0.00 1.13 1.57 -0.90 -0.37 116.57 118.99 3hlm h LYS 309 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3hlm h LYS 309 Cb 1.02 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 3hlm h LYS 309 CO 0.10 0.18 -0.02 0.82 -0.57 0.00 0.00 179.45 179.96 3hlm h ILE 310 N 0.28 0.73 0.17 1.86 2.04 -1.11 -0.81 117.51 120.66 3hlm h ILE 310 Ca 0.14 -0.09 -0.31 0.00 1.00 0.00 0.00 64.86 65.60 3hlm h ILE 310 Cb 0.08 1.05 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3hlm h ILE 310 CO -0.12 0.02 -1.49 -0.07 0.00 0.00 0.00 178.15 176.50 3hlm h LEU 311 N 0.00 0.56 0.03 1.44 -0.00 -0.89 -3.38 115.31 113.08 3hlm h LEU 311 Ca -0.00 -0.91 -0.00 0.00 -0.00 0.00 0.00 57.88 56.97 3hlm h LEU 311 Cb 0.05 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 3hlm h LEU 311 CO 0.00 1.68 -0.02 0.40 -0.00 0.00 0.00 178.44 180.50 3hlm h ILE 312 N -0.08 1.12 -0.91 1.22 2.04 -0.62 -3.31 117.51 116.97 3hlm h ILE 312 Ca -0.29 -0.50 0.24 0.00 1.00 0.00 0.00 64.86 65.31 3hlm h ILE 312 Cb 1.95 1.46 -0.13 0.00 -0.74 0.00 0.00 36.82 39.35 3hlm h ILE 312 CO 0.15 0.13 0.37 -0.09 0.00 0.00 0.00 178.15 178.71 3hlm h ARG 313 N -0.26 0.32 -0.05 2.37 2.43 -1.34 0.31 114.38 118.16 3hlm h ARG 313 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hlm h ARG 313 Cb 0.24 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3hlm h ARG 313 CO 0.01 0.21 0.00 -2.30 -1.51 0.00 0.00 179.97 176.38 3hlm n PRO 314 N -5.10 1.44 -0.09 0.20 -0.02 -1.25 -1.64 135.00 128.54 3hlm n PRO 314 Ca 0.24 -0.65 -0.16 0.00 -2.02 0.00 0.00 63.50 60.90 3hlm n PRO 314 Cb 0.72 -1.44 -0.08 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.18 1.84 -0.41 2.45 4.77 0.10 -4.89 117.00 120.69 3hlm n LEU 315 Ca 0.19 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 3hlm n LEU 315 Cb 0.26 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3hlm n LEU 315 CO 0.15 0.04 0.23 0.00 -1.33 0.00 0.00 177.39 176.47 3hlm n TYR 316 N -4.49 0.00 0.00 -1.77 0.18 -0.84 -5.06 117.16 105.17 3hlm n TYR 316 Ca -0.24 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.54 3hlm n TYR 316 Cb 0.55 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.61 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 -3.44 9.48 7.64 -0.65 -4.71 113.62 121.94 3hlm n SER 317 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 3hlm n SER 317 Cb 0.58 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.54 0.29 6.43 2.20 -1.26 -4.38 114.94 117.68 3hlm s ASN 318 Ca 0.00 -0.01 0.02 0.00 -0.94 0.00 0.00 52.86 51.93 3hlm s ASN 318 Cb 0.00 0.59 -0.03 0.00 -2.00 0.00 0.00 41.25 39.80 3hlm s ASN 318 CO 0.00 -0.95 0.46 -2.16 -2.94 0.00 0.00 177.10 171.51 3hlm s PRO 319 N -3.67 3.47 0.42 3.55 0.04 -1.26 -5.01 135.00 132.54 3hlm s PRO 319 Ca 0.01 -0.50 -0.26 0.00 0.04 0.00 0.00 61.00 60.30 3hlm s PRO 319 Cb -0.01 -2.77 -0.08 0.00 0.04 0.00 0.00 34.50 31.68 3hlm s PRO 319 CO -0.12 0.29 1.32 -1.25 0.04 0.00 0.00 177.00 177.28 3hlm s PRO 320 N -4.06 3.86 -0.04 0.56 0.04 -1.26 -4.57 135.00 129.53 3hlm s PRO 320 Ca 0.38 2.20 -0.22 0.00 0.04 0.00 0.00 61.00 63.39 3hlm s PRO 320 Cb -0.10 -2.70 -0.30 0.00 0.04 0.00 0.00 34.50 31.45 3hlm s PRO 320 CO 0.32 -0.59 0.93 -0.07 0.04 0.00 0.00 177.00 177.63 3hlm h LEU 321 N 2.52 0.47 -0.17 -3.56 3.38 -1.94 -3.39 115.31 112.62 3hlm h LEU 321 Ca -0.50 -0.92 0.01 0.00 0.09 0.00 0.00 57.88 56.56 3hlm h LEU 321 Cb 1.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3hlm h LEU 321 CO 0.62 1.36 0.08 -1.13 0.09 0.00 0.00 178.44 179.46 3hlm h ASN 322 N -0.33 0.12 -0.48 -0.43 -1.24 -1.93 0.11 115.58 111.40 3hlm h ASN 322 Ca -0.13 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.76 3hlm h ASN 322 Cb 1.57 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 40.59 3hlm h ASN 322 CO 0.14 0.10 -0.20 1.23 -1.29 0.00 0.00 177.43 177.41 3hlm h GLY 323 N 0.18 1.08 0.84 1.57 0.00 -1.80 -1.32 103.07 103.61 3hlm h GLY 323 Ca 0.07 -0.95 0.03 0.00 0.00 0.00 0.00 47.33 46.48 3hlm h GLY 323 CO -0.05 0.86 0.37 0.00 0.00 0.00 0.00 176.54 177.73 3hlm h ALA 324 N 0.87 0.81 -0.30 3.60 0.00 -1.68 -0.68 119.26 121.88 3hlm h ALA 324 Ca 0.11 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3hlm h ALA 324 Cb 0.78 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3hlm h ALA 324 CO 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.39 3hlm h ARG 325 N 0.72 0.06 -0.55 0.00 3.08 -0.57 -0.60 114.38 116.52 3hlm h ARG 325 Ca 0.25 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.39 3hlm h ARG 325 Cb 0.05 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 3hlm h ARG 325 CO -0.12 0.04 0.18 0.82 -1.07 0.00 0.00 179.97 179.82 3hlm h ILE 326 N 0.06 0.77 -0.09 2.04 2.04 -0.51 -1.61 117.51 120.20 3hlm h ILE 326 Ca 0.14 -0.12 -0.22 0.00 1.00 0.00 0.00 64.86 65.67 3hlm h ILE 326 Cb 0.20 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3hlm h ILE 326 CO -0.26 0.06 -0.81 0.00 0.00 0.00 0.00 178.15 177.14 3hlm h ALA 327 N 1.39 0.38 -0.37 1.87 0.00 -0.74 -1.52 119.26 120.28 3hlm h ALA 327 Ca 0.27 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3hlm h ALA 327 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hlm h ALA 327 CO -0.30 0.72 -0.15 0.00 0.00 0.00 0.00 179.25 179.53 3hlm h ALA 328 N 0.68 1.05 0.03 0.00 0.00 -0.94 0.17 119.26 120.25 3hlm h ALA 328 Ca -0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hlm h ALA 328 Cb 1.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hlm h ALA 328 CO 0.16 0.58 -0.01 1.15 0.00 0.00 0.00 179.25 181.12 3hlm h THR 329 N 0.61 1.10 0.36 0.00 2.02 -0.97 0.55 112.91 116.59 3hlm h THR 329 Ca 0.10 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3hlm h THR 329 Cb 0.60 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3hlm h THR 329 CO 0.04 0.10 -0.45 0.40 0.37 0.00 0.00 175.52 175.98 3hlm h ILE 330 N -0.22 0.11 0.00 3.11 2.04 -1.00 -2.66 117.51 118.89 3hlm h ILE 330 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3hlm h ILE 330 Cb 0.20 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3hlm h ILE 330 CO 0.01 0.00 -0.12 -0.07 0.00 0.00 0.00 178.15 177.97 3hlm h LEU 331 N -0.85 0.00 0.00 1.44 3.38 -0.61 -2.78 115.31 115.89 3hlm h LEU 331 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hlm h LEU 331 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3hlm h LEU 331 CO -0.12 0.12 -0.87 0.35 0.09 0.00 0.00 178.44 178.02 3hlm n THR 332 N -3.72 0.02 -3.36 0.22 -2.24 0.18 -4.80 114.28 100.58 3hlm n THR 332 Ca -0.02 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.32 3hlm n THR 332 Cb 0.23 0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 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 -3.14 6.24 0.59 3.42 0.15 -1.01 -4.94 113.70 115.01 3hlm s SER 333 Ca 0.08 -0.01 0.30 0.00 0.70 0.00 0.00 55.95 57.02 3hlm s SER 333 Cb 0.16 -2.22 1.81 0.00 -1.71 0.00 0.00 66.02 64.06 3hlm s SER 333 CO 0.81 -0.32 2.24 -0.65 1.20 0.00 0.00 173.24 176.52 3hlm h PRO 334 N 8.36 0.00 0.35 5.44 0.11 -1.87 -0.16 132.00 144.24 3hlm h PRO 334 Ca -0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 3hlm h PRO 334 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hlm h PRO 334 CO 0.70 0.00 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.88 3hlm h ASP 335 N 0.00 -0.40 -0.35 -2.05 3.32 -1.92 -2.92 116.42 112.10 3hlm h ASP 335 Ca 0.01 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3hlm h ASP 335 Cb 0.06 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3hlm h ASP 335 CO -0.00 0.04 0.22 -0.07 -1.72 0.00 0.00 179.24 177.71 3hlm h LEU 336 N -0.97 0.42 0.04 1.55 3.38 -1.76 -2.41 115.31 115.57 3hlm h LEU 336 Ca -0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hlm h LEU 336 Cb 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hlm h LEU 336 CO 0.08 0.33 -0.02 -0.09 0.09 0.00 0.00 178.44 178.83 3hlm h ARG 337 N 0.49 -0.05 -0.44 1.13 2.43 -0.94 0.34 114.38 117.35 3hlm h ARG 337 Ca 0.13 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3hlm h ARG 337 Cb -0.02 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3hlm h ARG 337 CO -0.02 0.17 0.17 -0.22 -1.51 0.00 0.00 179.97 178.55 3hlm h LYS 338 N -0.26 0.34 -0.40 0.20 3.64 -1.40 -1.11 116.57 117.58 3hlm h LYS 338 Ca -0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3hlm h LYS 338 Cb 0.24 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3hlm h LYS 338 CO 0.01 0.23 0.26 0.37 -2.27 0.00 0.00 179.45 178.05 3hlm h GLN 339 N 0.35 0.52 -0.76 1.90 4.15 -0.91 -1.96 115.11 118.40 3hlm h GLN 339 Ca 0.20 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.60 3hlm h GLN 339 Cb 0.18 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 3hlm h GLN 339 CO -0.19 0.34 0.50 2.35 -1.93 0.00 0.00 178.83 179.90 3hlm h TRP 340 N 0.53 0.95 -0.97 3.99 7.01 -0.12 -1.01 115.95 126.35 3hlm h TRP 340 Ca 0.15 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.20 3hlm h TRP 340 Cb -0.05 -0.32 -0.05 0.00 -2.10 0.00 0.00 29.16 26.63 3hlm h TRP 340 CO -0.05 0.60 0.64 -0.07 -2.79 0.00 0.00 178.44 176.76 3hlm h LEU 341 N 1.03 1.08 -0.48 0.65 3.38 -0.95 -0.39 115.31 119.62 3hlm h LEU 341 Ca 0.28 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3hlm h LEU 341 Cb -0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 3hlm h LEU 341 CO -0.06 0.76 0.29 1.56 0.09 0.00 0.00 178.44 181.08 3hlm h GLN 342 N 1.26 0.65 -0.37 1.13 4.20 -0.42 0.45 115.11 122.00 3hlm h GLN 342 Ca 0.37 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.95 3hlm h GLN 342 Cb -0.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 3hlm h GLN 342 CO -0.10 0.47 -0.08 0.93 -0.67 0.00 0.00 178.83 179.38 3hlm h GLU 343 N 0.63 0.63 0.51 1.46 5.08 -0.98 0.91 114.58 122.83 3hlm h GLU 343 Ca 0.17 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3hlm h GLU 343 Cb -0.01 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.18 3hlm h GLU 343 CO -0.03 0.71 -0.25 0.28 -1.00 0.00 0.00 179.01 178.72 3hlm h VAL 344 N 0.58 0.48 -1.06 3.13 2.07 -0.82 -1.20 116.25 119.43 3hlm h VAL 344 Ca 0.11 -0.12 0.28 0.00 0.82 0.00 0.00 66.70 67.79 3hlm h VAL 344 Cb 0.49 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 3hlm h VAL 344 CO 0.03 0.02 0.70 0.50 0.02 0.00 0.00 177.57 178.83 3hlm h LYS 345 N -0.76 0.31 -0.31 1.57 3.64 0.40 0.86 116.57 122.28 3hlm h LYS 345 Ca -0.07 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 3hlm h LYS 345 Cb 0.56 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3hlm h LYS 345 CO 0.12 0.21 -0.27 0.78 -2.27 0.00 0.00 179.45 178.01 3hlm h GLY 346 N 0.32 0.69 0.58 5.01 0.00 -0.23 -1.93 103.07 107.52 3hlm h GLY 346 Ca 0.59 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3hlm h GLY 346 CO -0.26 0.55 -0.02 -0.33 0.00 0.00 0.00 176.54 176.49 3hlm h MET 347 N 0.55 0.05 -0.41 4.80 2.86 0.32 -1.82 114.93 121.29 3hlm h MET 347 Ca 0.07 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 3hlm h MET 347 Cb 0.76 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.35 3hlm h MET 347 CO 0.06 0.49 0.01 0.00 1.06 0.00 0.00 176.91 178.53 3hlm h ALA 348 N 0.57 0.39 -0.60 6.32 0.00 -1.29 -2.08 119.26 122.57 3hlm h ALA 348 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hlm h ALA 348 Cb 0.47 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3hlm h ALA 348 CO 0.00 -0.38 0.29 -0.44 0.00 0.00 0.00 179.25 178.73 3hlm h ASP 349 N 0.12 0.75 -0.61 0.00 3.32 -1.33 -0.32 116.42 118.35 3hlm h ASP 349 Ca 0.20 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3hlm h ASP 349 Cb 0.28 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3hlm h ASP 349 CO -0.32 0.63 0.07 -0.09 -1.72 0.00 0.00 179.24 177.81 3hlm h ARG 350 N 0.84 1.03 -0.04 3.56 2.43 -0.68 0.68 114.38 122.19 3hlm h ARG 350 Ca 0.21 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3hlm h ARG 350 Cb 0.08 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3hlm h ARG 350 CO -0.03 0.98 -0.01 0.82 -1.51 0.00 0.00 179.97 180.23 3hlm h ILE 351 N 0.94 1.27 -0.53 1.20 1.08 -0.89 -0.86 117.51 119.72 3hlm h ILE 351 Ca 0.18 -0.84 0.11 0.00 -0.39 0.00 0.00 64.86 63.92 3hlm h ILE 351 Cb 0.47 1.76 -0.10 0.00 -3.07 0.00 0.00 36.82 35.87 3hlm h ILE 351 CO 0.02 0.23 -0.16 0.40 -0.69 0.00 0.00 178.15 177.95 3hlm h ILE 352 N -0.25 0.43 -0.84 -0.67 2.04 -1.03 -1.26 117.51 115.93 3hlm h ILE 352 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 3hlm h ILE 352 Cb 0.36 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 3hlm h ILE 352 CO 0.00 0.00 0.51 -1.28 0.00 0.00 0.00 178.15 177.39 3hlm h SER 353 N -0.03 0.80 -0.53 1.72 0.87 -0.56 0.40 113.55 116.23 3hlm h SER 353 Ca 0.26 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.77 3hlm h SER 353 Cb 0.42 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 3hlm h SER 353 CO -0.56 0.51 0.12 0.24 -0.53 0.00 0.00 176.83 176.60 3hlm h MET 354 N 0.93 0.91 0.17 2.24 2.86 -0.58 -2.01 114.93 119.45 3hlm h MET 354 Ca 0.37 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3hlm h MET 354 Cb 0.18 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3hlm h MET 354 CO -0.18 0.83 -0.08 0.00 1.06 0.00 0.00 176.91 178.54 3hlm h ARG 355 N 0.87 -0.22 -0.89 1.72 3.08 0.12 -0.57 114.38 118.49 3hlm h ARG 355 Ca 0.18 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.26 3hlm h ARG 355 Cb 0.35 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 3hlm h ARG 355 CO 0.00 -0.01 0.59 1.79 -1.07 0.00 0.00 179.97 181.27 3hlm h THR 356 N -0.39 1.21 0.00 2.04 1.35 -0.86 0.11 112.91 116.36 3hlm h THR 356 Ca -0.02 -0.41 -0.11 0.00 -0.55 0.00 0.00 66.41 65.32 3hlm h THR 356 Cb 0.31 -0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 3hlm h THR 356 CO 0.04 0.22 -0.54 1.56 -0.25 0.00 0.00 175.52 176.55 3hlm h GLN 357 N 1.18 0.00 0.00 4.72 4.20 -1.34 0.84 115.11 124.72 3hlm h GLN 357 Ca 0.33 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.94 3hlm h GLN 357 Cb -0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3hlm h GLN 357 CO -0.08 0.54 -0.47 1.25 -0.67 0.00 0.00 178.83 179.40 3hlm h LEU 358 N 0.00 0.00 -0.02 1.46 5.85 0.66 -0.82 115.31 122.44 3hlm h LEU 358 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hlm h LEU 358 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3hlm h LEU 358 CO 0.07 0.47 -0.10 0.58 -0.34 0.00 0.00 178.44 179.12 3hlm h VAL 359 N 0.00 1.51 -0.51 1.05 2.07 -1.11 -2.98 116.25 116.28 3hlm h VAL 359 Ca -0.00 -1.65 0.09 0.00 0.82 0.00 0.00 66.70 65.96 3hlm h VAL 359 Cb 1.14 2.56 -0.10 0.00 -1.52 0.00 0.00 31.29 33.36 3hlm h VAL 359 CO 0.06 0.44 -0.33 -1.28 0.02 0.00 0.00 177.57 176.48 3hlm h SER 360 N -0.53 -1.14 0.71 0.57 0.87 -0.72 -2.73 113.55 110.59 3hlm h SER 360 Ca -0.01 0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3hlm h SER 360 Cb 0.77 0.55 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 3hlm h SER 360 CO 0.02 -0.31 -0.25 0.78 -0.53 0.00 0.00 176.83 176.53 3hlm h ASN 361 N -0.20 0.00 0.44 6.23 -0.26 -1.23 -2.04 115.58 118.51 3hlm h ASN 361 Ca 0.21 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.75 3hlm h ASN 361 Cb 0.54 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 3hlm h ASN 361 CO -0.62 0.25 -0.82 -0.07 -1.06 0.00 0.00 177.43 175.11 3hlm h LEU 362 N 0.00 0.35 -0.33 1.61 3.38 -1.32 -1.65 115.31 117.36 3hlm h LEU 362 Ca -0.00 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.53 3hlm h LEU 362 Cb 0.68 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hlm h LEU 362 CO 0.03 1.03 -0.49 0.50 0.09 0.00 0.00 178.44 179.61 3hlm h LYS 363 N 0.17 0.91 0.00 1.13 3.64 -1.20 -0.35 116.57 120.87 3hlm h LYS 363 Ca -0.04 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 3hlm h LYS 363 Cb 1.42 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 3hlm h LYS 363 CO 0.13 1.18 0.00 0.87 -2.27 0.00 0.00 179.45 179.36 3hlm h LYS 364 N 0.71 0.00 -0.31 1.90 1.57 -1.33 0.63 116.57 119.75 3hlm h LYS 364 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3hlm h LYS 364 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3hlm h LYS 364 CO 0.11 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.38 3hlm n GLU 365 N -2.64 1.81 -4.15 3.15 -0.58 -0.63 -4.95 120.64 112.66 3hlm n GLU 365 Ca 0.03 -1.26 -0.30 0.00 -0.42 0.00 0.00 57.16 55.21 3hlm n GLU 365 Cb 0.33 -1.32 -0.06 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.10 -0.22 3.79 0.62 0.00 0.22 -5.03 105.19 105.66 3hlm n GLY 366 Ca 0.13 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.31 5.87 -0.02 1.61 0.15 -0.15 -5.00 113.70 111.86 3hlm s SER 367 Ca 0.04 1.92 0.21 0.00 0.70 0.00 0.00 55.95 58.82 3hlm s SER 367 Cb -0.02 -2.55 -0.29 0.00 -1.71 0.00 0.00 66.02 61.45 3hlm s SER 367 CO 0.95 -1.11 0.66 -1.54 1.20 0.00 0.00 173.24 173.41 3hlm n SER 368 N -1.65 0.48 -4.76 5.45 3.41 -1.26 -4.76 113.62 110.52 3hlm n SER 368 Ca 0.09 -0.45 -0.40 0.00 -0.26 0.00 0.00 58.87 57.85 3hlm n SER 368 Cb 0.52 1.54 -0.03 0.00 -0.26 0.00 0.00 64.21 65.99 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 -3.27 3.28 0.28 7.33 3.76 -1.26 -5.00 115.29 120.41 3hlm s HIS 369 Ca -0.01 1.54 -0.29 0.00 -0.15 0.00 0.00 55.06 56.15 3hlm s HIS 369 Cb 0.15 -3.51 -0.10 0.00 1.11 0.00 0.00 32.58 30.23 3hlm s HIS 369 CO 0.88 -1.29 1.36 1.21 -0.85 0.00 0.00 174.74 176.06 3hlm s ASN 370 N -0.66 6.74 -0.09 1.40 3.84 -1.26 -4.96 114.94 119.94 3hlm s ASN 370 Ca 0.47 2.65 0.24 0.00 0.21 0.00 0.00 52.86 56.43 3hlm s ASN 370 Cb -0.36 -2.63 0.45 0.00 -0.55 0.00 0.00 41.25 38.16 3hlm s ASN 370 CO 0.48 -0.60 1.16 0.79 -2.79 0.00 0.00 177.10 176.13 3hlm n TRP 371 N 1.65 0.43 0.25 0.43 7.02 -1.26 -4.81 117.44 121.16 3hlm n TRP 371 Ca 0.03 -1.07 0.11 0.00 -1.02 0.00 0.00 57.50 55.55 3hlm n TRP 371 Cb 0.41 -0.18 0.71 0.00 -2.42 0.00 0.00 31.31 29.83 3hlm n TRP 371 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3hlm h GLN 372 N 1.50 0.00 -0.18 -0.99 1.08 -1.98 -2.73 115.11 111.82 3hlm h GLN 372 Ca -0.18 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3hlm h GLN 372 Cb 1.66 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.08 3hlm h GLN 372 CO 0.13 0.00 0.10 1.12 -0.95 0.00 0.00 178.83 179.24 3hlm h HIS 373 N 0.00 0.23 -0.08 2.96 2.07 -1.88 0.16 115.15 118.61 3hlm h HIS 373 Ca 0.02 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.49 3hlm h HIS 373 Cb 0.08 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3hlm h HIS 373 CO 0.00 0.16 -0.20 0.82 -3.07 0.00 0.00 177.93 175.64 3hlm h ILE 374 N 0.24 1.19 0.00 6.12 2.04 -1.81 -0.96 117.51 124.32 3hlm h ILE 374 Ca 0.07 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3hlm h ILE 374 Cb -0.00 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3hlm h ILE 374 CO -0.01 0.26 -0.98 0.35 0.00 0.00 0.00 178.15 177.76 3hlm n THR 375 N -4.25 0.03 0.09 -0.27 -2.24 -0.44 -4.07 114.28 103.14 3hlm n THR 375 Ca -0.01 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 3hlm n THR 375 Cb 0.30 0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 69.03 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 0.39 -4.20 3.42 3.32 -0.67 -3.46 116.42 115.22 3hlm h ASP 376 Ca 0.00 -0.44 -0.51 0.00 0.02 0.00 0.00 57.03 56.10 3hlm h ASP 376 Cb 0.58 -0.13 0.19 0.00 0.22 0.00 0.00 39.33 40.19 3hlm h ASP 376 CO 0.00 1.35 0.21 -1.10 -1.72 0.00 0.00 179.24 177.98 3hlm s GLN 377 N -2.65 0.95 -0.00 3.56 -0.21 -0.40 -4.85 119.66 116.05 3hlm s GLN 377 Ca -0.04 1.48 0.00 0.00 0.02 0.00 0.00 55.36 56.82 3hlm s GLN 377 Cb 0.07 -1.72 0.00 0.00 1.00 0.00 0.00 33.01 32.36 3hlm s GLN 377 CO 0.88 -2.66 -0.00 0.42 -2.12 0.00 0.00 175.29 171.80 3hlm s ILE 378 N -2.65 0.05 0.00 1.08 1.01 0.50 -5.00 121.20 116.19 3hlm s ILE 378 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.32 3hlm s ILE 378 Cb -0.23 -0.07 0.00 0.00 0.01 0.00 0.00 42.46 42.17 3hlm s ILE 378 CO 0.58 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3hlm n GLY 379 N 3.24 -1.77 0.82 6.18 0.00 -1.23 -4.49 105.19 107.93 3hlm n GLY 379 Ca -0.15 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 2.11 -4.14 1.61 0.00 -1.26 -4.90 117.12 110.53 3hlm n MET 380 Ca 0.00 -1.64 -0.28 0.00 0.00 0.00 0.00 57.70 55.78 3hlm n MET 380 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 33.22 31.68 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 -2.02 2.97 -0.17 3.17 0.08 -1.26 -1.14 117.98 119.60 3hlm s PHE 381 Ca 0.30 -0.06 -0.06 0.00 0.12 0.00 0.00 56.93 57.23 3hlm s PHE 381 Cb 0.20 -1.48 0.08 0.00 -0.57 0.00 0.00 43.02 41.25 3hlm s PHE 381 CO 0.32 0.50 0.34 0.00 -0.10 0.00 0.00 175.22 176.28 3hlm s PHE 383 N 2.52 3.36 0.01 0.00 0.40 -0.80 -0.45 117.98 123.02 3hlm s PHE 383 Ca 0.00 1.08 0.05 0.00 -0.60 0.00 0.00 56.93 57.46 3hlm s PHE 383 Cb -0.12 -2.94 -0.24 0.00 0.51 0.00 0.00 43.02 40.23 3hlm s PHE 383 CO -0.11 -0.27 0.85 1.79 0.70 0.00 0.00 175.22 178.18 3hlm h THR 384 N 5.27 1.14 0.00 0.64 1.35 -1.48 -3.46 112.91 116.37 3hlm h THR 384 Ca -0.28 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 62.70 3hlm h THR 384 Cb 1.12 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 3hlm h THR 384 CO 0.82 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 177.44 3hlm n GLY 385 N 1.57 1.94 3.61 5.82 0.00 -1.26 -5.00 105.19 111.88 3hlm n GLY 385 Ca -0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.38 3hlm n GLY 385 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hlm n LEU 386 N 0.00 2.08 -4.83 0.99 4.77 -1.26 -4.98 117.00 113.77 3hlm n LEU 386 Ca 0.00 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.78 3hlm n LEU 386 Cb 0.00 -1.26 0.04 0.00 -2.33 0.00 0.00 43.42 39.87 3hlm n LEU 386 CO 0.00 -0.82 0.71 -0.54 -1.33 0.00 0.00 177.39 175.41 3hlm s LYS 387 N 0.61 3.10 0.61 3.23 -0.14 -1.26 -4.36 119.74 121.54 3hlm s LYS 387 Ca 0.83 0.94 0.33 0.00 -1.36 0.00 0.00 55.97 56.71 3hlm s LYS 387 Cb -0.87 -2.01 1.91 0.00 -1.68 0.00 0.00 37.83 35.17 3hlm s LYS 387 CO 0.44 -0.97 2.21 -1.35 -0.76 0.00 0.00 175.35 174.93 3hlm h PRO 388 N -0.53 0.00 0.06 -1.68 0.11 -1.94 -1.89 132.00 126.13 3hlm h PRO 388 Ca -0.44 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.43 3hlm h PRO 388 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3hlm h PRO 388 CO 0.58 0.00 -1.10 0.93 -0.21 0.00 0.00 178.00 178.20 3hlm h GLU 389 N 0.00 0.17 0.00 1.05 3.07 -1.92 -2.60 114.58 114.35 3hlm h GLU 389 Ca 0.03 -0.27 -0.16 0.00 -0.50 0.00 0.00 59.36 58.46 3hlm h GLU 389 Cb 0.20 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3hlm h GLU 389 CO -0.00 1.10 -0.74 1.96 -1.40 0.00 0.00 179.01 179.93 3hlm h GLN 390 N 0.06 0.00 -0.68 2.33 4.20 -1.72 -2.52 115.11 116.78 3hlm h GLN 390 Ca -0.08 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 3hlm h GLN 390 Cb 1.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.57 3hlm h GLN 390 CO 0.17 0.74 0.12 0.28 -0.67 0.00 0.00 178.83 179.47 3hlm h VAL 391 N 0.00 1.26 -0.02 -0.54 2.07 -1.38 -1.45 116.25 116.19 3hlm h VAL 391 Ca -0.01 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3hlm h VAL 391 Cb 1.50 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3hlm h VAL 391 CO 0.10 0.39 0.00 -0.33 0.02 0.00 0.00 177.57 177.74 3hlm h GLU 392 N 1.04 0.03 -0.78 1.57 5.08 -1.35 -2.26 114.58 117.92 3hlm h GLU 392 Ca 0.21 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.72 3hlm h GLU 392 Cb 0.43 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.57 3hlm h GLU 392 CO 0.01 0.32 0.30 0.00 -1.00 0.00 0.00 179.01 178.64 3hlm h ARG 393 N -0.26 0.40 0.00 2.33 3.08 -1.46 0.17 114.38 118.64 3hlm h ARG 393 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3hlm h ARG 393 Cb 0.31 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3hlm h ARG 393 CO 0.00 0.26 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.03 3hlm h LEU 394 N 0.41 0.00 0.00 3.04 3.38 -0.89 0.63 115.31 121.88 3hlm h LEU 394 Ca 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 3hlm h LEU 394 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3hlm h LEU 394 CO -0.45 0.06 -0.47 0.74 0.09 0.00 0.00 178.44 178.41 3hlm h THR 395 N 0.00 0.24 0.45 0.22 2.02 -0.19 0.77 112.91 116.42 3hlm h THR 395 Ca -0.00 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 3hlm h THR 395 Cb 0.20 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3hlm h THR 395 CO 0.01 0.08 -0.40 0.11 0.37 0.00 0.00 175.52 175.68 3hlm h LYS 396 N -1.00 -0.83 0.00 6.66 6.56 -0.91 -0.13 116.57 126.92 3hlm h LYS 396 Ca -0.05 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3hlm h LYS 396 Cb 0.53 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 3hlm h LYS 396 CO -0.03 -0.55 0.00 0.39 -2.06 0.00 0.00 179.45 177.20 3hlm n GLU 397 N -5.51 0.22 0.00 3.15 1.02 0.21 -4.53 120.64 115.21 3hlm n GLU 397 Ca -0.11 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3hlm n GLU 397 Cb 0.40 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3hlm n GLU 397 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3hlm n PHE 398 N -2.17 0.00 -2.93 -0.32 3.72 -1.19 -5.02 117.46 109.55 3hlm n PHE 398 Ca 0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 3hlm n PHE 398 Cb 0.39 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.08 -5.51 -4.46 4.37 7.64 -0.07 -4.71 113.62 110.80 3hlm n SER 399 Ca 0.00 -0.22 -0.42 0.00 1.01 0.00 0.00 58.87 59.24 3hlm n SER 399 Cb 0.00 -4.50 -0.10 0.00 -1.01 0.00 0.00 64.21 58.59 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 -3.07 5.14 -0.16 0.44 1.01 0.23 -0.72 120.40 123.28 3hlm s VAL 400 Ca 0.25 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3hlm s VAL 400 Cb -0.12 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3hlm s VAL 400 CO 0.31 -0.22 0.28 -0.31 0.00 0.00 0.00 175.10 175.16 3hlm s TYR 401 N 1.67 3.46 -0.11 5.22 1.51 -0.27 -3.53 117.35 125.31 3hlm s TYR 401 Ca 0.05 0.59 -0.30 0.00 -1.01 0.00 0.00 57.07 56.39 3hlm s TYR 401 Cb -0.19 -2.32 0.12 0.00 -0.11 0.00 0.00 41.96 39.46 3hlm s TYR 401 CO 0.09 0.26 0.98 0.00 -1.11 0.00 0.00 175.55 175.77 3hlm s MET 402 N 0.41 0.64 0.60 -0.62 0.23 -1.26 0.48 119.30 119.78 3hlm s MET 402 Ca 0.16 -0.02 -0.16 0.00 -1.03 0.00 0.00 55.69 54.63 3hlm s MET 402 Cb -0.13 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 3hlm s MET 402 CO 0.04 -0.24 1.08 0.95 -2.03 0.00 0.00 175.02 174.82 3hlm s THR 403 N -1.87 3.51 0.61 3.16 -4.23 -1.24 -4.91 115.64 110.66 3hlm s THR 403 Ca 0.01 0.76 0.28 0.00 -1.18 0.00 0.00 61.69 61.57 3hlm s THR 403 Cb -0.01 -3.28 0.36 0.00 1.34 0.00 0.00 72.50 70.91 3hlm s THR 403 CO -0.02 -0.37 1.87 0.11 -0.54 0.00 0.00 174.62 175.67 3hlm h LYS 404 N 0.52 0.00 0.00 3.99 1.79 -1.94 -1.57 116.57 119.35 3hlm h LYS 404 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3hlm h LYS 404 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3hlm h LYS 404 CO 0.56 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.53 3hlm n ASP 405 N -3.49 0.26 0.00 0.86 5.75 -1.26 -4.05 116.55 114.62 3hlm n ASP 405 Ca 0.06 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 3hlm n ASP 405 Cb 0.62 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3hlm n ASP 405 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hlm n GLY 406 N 0.83 0.88 3.72 6.12 0.00 -0.59 -4.85 105.19 111.29 3hlm n GLY 406 Ca 0.05 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.57 4.48 0.06 1.61 3.52 -1.25 -1.19 118.95 125.61 3hlm s ARG 407 Ca 0.00 1.69 0.09 0.00 -0.13 0.00 0.00 55.73 57.38 3hlm s ARG 407 Cb 0.00 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 3hlm s ARG 407 CO 0.00 -0.18 -0.25 0.96 -0.81 0.00 0.00 175.30 175.03 3hlm s ILE 408 N 0.90 2.30 -0.51 4.11 -4.36 0.40 -3.69 121.20 120.37 3hlm s ILE 408 Ca 0.56 -1.43 -0.22 0.00 -0.26 0.00 0.00 60.65 59.30 3hlm s ILE 408 Cb -0.28 -1.94 0.04 0.00 1.25 0.00 0.00 42.46 41.53 3hlm s ILE 408 CO 0.30 0.30 0.80 -0.55 0.24 0.00 0.00 174.94 176.02 3hlm s SER 409 N -1.47 6.32 0.55 4.36 0.15 0.37 -1.77 113.70 122.22 3hlm s SER 409 Ca 0.13 -0.44 0.32 0.00 0.70 0.00 0.00 55.95 56.66 3hlm s SER 409 Cb -0.10 -2.38 1.74 0.00 -1.71 0.00 0.00 66.02 63.58 3hlm s SER 409 CO 0.04 -1.03 1.97 0.58 1.20 0.00 0.00 173.24 176.00 3hlm h VAL 410 N 5.96 0.00 0.00 4.45 2.07 -1.44 -1.35 116.25 125.94 3hlm h VAL 410 Ca -0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hlm h VAL 410 Cb 1.08 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3hlm h VAL 410 CO 1.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.60 3hlm h ALA 411 N 1.72 1.00 -0.39 1.67 0.00 -1.90 -2.24 119.26 119.12 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 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hlm n GLY 412 N 0.52 0.96 3.72 0.00 0.00 -0.51 -4.18 105.19 105.71 3hlm n GLY 412 Ca 0.03 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.49 5.15 0.14 1.61 1.01 -0.84 -4.65 120.40 121.32 3hlm s VAL 413 Ca 0.31 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.40 3hlm s VAL 413 Cb 0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3hlm s VAL 413 CO 0.22 0.49 -0.05 0.42 0.00 0.00 0.00 175.10 176.18 3hlm s THR 414 N 0.03 0.78 0.51 3.92 -4.23 -1.26 -4.94 115.64 110.45 3hlm s THR 414 Ca 0.08 -1.98 0.21 0.00 -1.18 0.00 0.00 61.69 58.82 3hlm s THR 414 Cb -0.12 -1.89 0.27 0.00 1.34 0.00 0.00 72.50 72.11 3hlm s THR 414 CO 0.00 -0.69 2.13 0.77 -0.54 0.00 0.00 174.62 176.29 3hlm h SER 415 N 2.82 0.00 -0.49 3.99 4.64 -1.97 0.14 113.55 122.68 3hlm h SER 415 Ca -0.36 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.97 3hlm h SER 415 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3hlm h SER 415 CO 0.64 0.06 0.33 1.23 -0.87 0.00 0.00 176.83 178.21 3hlm h GLY 416 N 0.23 0.69 -0.10 -0.77 0.00 -1.96 -3.37 103.07 97.79 3hlm h GLY 416 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3hlm h GLY 416 CO 0.01 0.25 -0.09 1.16 0.00 0.00 0.00 176.54 177.87 3hlm n ASN 417 N -4.46 0.55 -0.28 0.19 0.23 0.28 -4.70 115.26 107.07 3hlm n ASN 417 Ca 0.04 -0.77 -0.00 0.00 -0.53 0.00 0.00 54.58 53.32 3hlm n ASN 417 Cb 0.06 0.64 0.12 0.00 -2.08 0.00 0.00 39.78 38.52 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 0.23 1.02 -0.34 3.53 3.04 -1.18 -0.98 116.25 121.57 3hlm h VAL 418 Ca 0.00 -0.29 0.06 0.00 -1.01 0.00 0.00 66.70 65.46 3hlm h VAL 418 Cb 0.09 0.08 -0.05 0.00 -2.01 0.00 0.00 31.29 29.40 3hlm h VAL 418 CO 0.00 0.16 -0.00 1.23 -1.01 0.00 0.00 177.57 177.95 3hlm h GLY 419 N 0.86 0.34 0.70 3.17 0.00 -1.84 0.34 103.07 106.64 3hlm h GLY 419 Ca 0.34 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.72 3hlm h GLY 419 CO -0.17 -0.08 -0.18 -1.82 0.00 0.00 0.00 176.54 174.29 3hlm h TYR 420 N 0.10 -0.47 -0.50 5.60 3.20 -1.72 -2.15 116.97 121.03 3hlm h TYR 420 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3hlm h TYR 420 Cb 0.23 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3hlm h TYR 420 CO -0.24 -0.27 0.27 1.25 -1.64 0.00 0.00 178.16 177.53 3hlm h LEU 421 N -0.36 0.62 -0.76 2.82 5.85 -0.76 0.03 115.31 122.75 3hlm h LEU 421 Ca 0.02 -0.09 0.17 0.00 0.84 0.00 0.00 57.88 58.81 3hlm h LEU 421 Cb 0.37 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.13 3hlm h LEU 421 CO -0.09 0.53 0.21 0.00 -0.34 0.00 0.00 178.44 178.75 3hlm h ALA 422 N 1.11 1.01 0.28 1.25 0.00 -0.22 0.12 119.26 122.81 3hlm h ALA 422 Ca 0.17 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3hlm h ALA 422 Cb 0.05 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hlm h ALA 422 CO -0.03 -0.33 -0.14 1.25 0.00 0.00 0.00 179.25 180.01 3hlm h HIS 423 N 0.29 -0.35 -1.00 0.00 -0.00 -0.56 -1.94 115.15 111.59 3hlm h HIS 423 Ca 0.43 -0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.97 3hlm h HIS 423 Cb 0.74 0.12 -0.17 0.00 -0.00 0.00 0.00 27.41 28.09 3hlm h HIS 423 CO -0.25 -0.22 -0.32 0.00 -0.00 0.00 0.00 177.93 177.14 3hlm h ALA 424 N -1.76 0.39 -0.11 5.26 0.00 -0.78 0.41 119.26 122.68 3hlm h ALA 424 Ca -0.04 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3hlm h ALA 424 Cb 0.29 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3hlm h ALA 424 CO 0.06 -0.51 -0.00 0.82 0.00 0.00 0.00 179.25 179.62 3hlm h ILE 425 N -0.00 1.07 -0.15 0.00 2.04 -0.66 -1.11 117.51 118.71 3hlm h ILE 425 Ca 0.41 -0.28 -0.22 0.00 1.00 0.00 0.00 64.86 65.76 3hlm h ILE 425 Cb 0.66 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3hlm h ILE 425 CO -1.01 0.09 -0.78 -0.74 0.00 0.00 0.00 178.15 175.71 3hlm h HIS 426 N 0.15 1.06 -0.42 1.37 2.76 0.51 -2.81 115.15 117.77 3hlm h HIS 426 Ca 0.04 -0.47 0.05 0.00 -2.20 0.00 0.00 60.37 57.79 3hlm h HIS 426 Cb 0.11 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.86 3hlm h HIS 426 CO 0.00 1.30 0.16 1.96 -1.30 0.00 0.00 177.93 180.05 3hlm h GLN 427 N 0.53 0.32 0.00 5.26 1.08 0.25 0.93 115.11 123.49 3hlm h GLN 427 Ca -0.05 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3hlm h GLN 427 Cb 1.41 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 3hlm h GLN 427 CO 0.16 0.21 0.00 1.33 -0.95 0.00 0.00 178.83 179.59 3hlm n VAL 428 N -4.99 0.37 -0.17 -0.54 0.24 -0.72 -3.54 118.33 108.98 3hlm n VAL 428 Ca 0.03 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3hlm n VAL 428 Cb 0.15 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 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 -1.49 0.15 0.00 3.34 -2.24 -0.89 -4.92 114.28 108.24 3hlm n THR 429 Ca 0.06 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3hlm n THR 429 Cb 0.27 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3hlm n THR 429 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79