#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1u s VAL 17 N 0.00 2.23 -0.23 1.12 1.01 0.71 -4.99 120.40 120.26 3a1u s VAL 17 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 3a1u s VAL 17 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3a1u s VAL 17 CO 0.00 0.54 0.09 -0.75 0.00 0.00 0.00 175.10 174.98 3a1u s LYS 18 N 0.82 3.86 -0.02 2.72 2.47 -1.26 0.12 119.74 128.45 3a1u s LYS 18 Ca -0.06 -0.38 0.03 0.00 -1.56 0.00 0.00 55.97 54.00 3a1u s LYS 18 Cb -0.15 -3.35 -0.00 0.00 -1.46 0.00 0.00 37.83 32.86 3a1u s LYS 18 CO -0.02 0.02 -0.12 0.08 0.16 0.00 0.00 175.35 175.47 3a1u s VAL 19 N 1.10 0.97 -0.09 4.02 1.01 0.88 0.04 120.40 128.33 3a1u s VAL 19 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3a1u s VAL 19 Cb -0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3a1u s VAL 19 CO 0.04 0.29 -0.00 0.00 0.00 0.00 0.00 175.10 175.42 3a1u s ALA 20 N 0.01 3.26 -0.34 5.51 0.00 -0.96 -0.61 121.76 128.63 3a1u s ALA 20 Ca -0.01 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 3a1u s ALA 20 Cb -0.08 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 3a1u s ALA 20 CO 0.00 0.55 0.25 -0.51 0.00 0.00 0.00 175.76 176.05 3a1u s LEU 21 N -0.75 4.49 0.27 0.00 1.43 0.98 -0.64 118.68 124.47 3a1u s LEU 21 Ca 0.12 -0.39 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3a1u s LEU 21 Cb -0.12 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3a1u s LEU 21 CO 0.02 -0.23 -0.00 0.00 0.23 0.00 0.00 176.35 176.37 3a1u s ALA 22 N 1.74 3.16 0.00 4.21 0.00 -0.28 -1.79 121.76 128.81 3a1u s ALA 22 Ca 0.06 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.35 3a1u s ALA 22 Cb -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.20 3a1u s ALA 22 CO 0.11 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3a1u n GLY 23 N -0.90 2.25 3.70 0.00 0.00 -1.26 -0.80 105.19 108.18 3a1u n GLY 23 Ca -0.06 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 3a1u n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1u n PRO 25 N -3.94 1.60 -2.54 0.00 -0.02 -1.26 -3.44 135.00 125.40 3a1u n PRO 25 Ca 0.08 0.57 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 3a1u n PRO 25 Cb 0.54 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.88 3a1u n PRO 25 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3a1u n ASN 26 N 2.09 -4.77 -0.24 2.55 3.02 -1.26 -4.89 115.26 111.76 3a1u n ASN 26 Ca 0.13 -0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.68 3a1u n ASN 26 Cb 0.28 -3.77 0.01 0.00 -0.61 0.00 0.00 39.78 35.69 3a1u n ASN 26 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3a1u n VAL 27 N -4.10 0.00 0.00 2.41 0.24 -1.22 -4.96 118.33 110.70 3a1u n VAL 27 Ca -0.13 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3a1u n VAL 27 Cb 0.61 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 3a1u n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1u n GLY 28 N 1.45 1.64 0.19 7.63 0.00 -1.26 -4.43 105.19 110.41 3a1u n GLY 28 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3a1u n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1u h LYS 29 N 0.00 -0.30 -0.23 1.61 1.57 -1.92 -2.14 116.57 115.17 3a1u h LYS 29 Ca 0.00 0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3a1u h LYS 29 Cb 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3a1u h LYS 29 CO 0.00 -0.20 -0.35 1.15 -0.57 0.00 0.00 179.45 179.48 3a1u h THR 30 N -0.31 1.29 -0.77 -0.16 2.02 -1.96 0.35 112.91 113.36 3a1u h THR 30 Ca 0.02 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 3a1u h THR 30 Cb 0.32 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3a1u h THR 30 CO -0.07 0.46 0.43 0.28 0.37 0.00 0.00 175.52 176.99 3a1u h SER 31 N 0.42 0.97 -0.30 4.18 0.02 -1.96 0.30 113.55 117.17 3a1u h SER 31 Ca 0.05 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3a1u h SER 31 Cb 0.82 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3a1u h SER 31 CO 0.07 0.79 -0.07 0.25 -1.14 0.00 0.00 176.83 176.73 3a1u h LEU 32 N 1.07 0.58 -0.37 5.07 5.85 -0.99 -0.87 115.31 125.66 3a1u h LEU 32 Ca 0.27 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3a1u h LEU 32 Cb 0.03 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3a1u h LEU 32 CO -0.04 0.81 -0.12 0.15 -0.34 0.00 0.00 178.44 178.89 3a1u h PHE 33 N 0.35 -0.28 -0.68 1.25 3.04 -0.45 -1.74 116.94 118.42 3a1u h PHE 33 Ca 0.08 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 3a1u h PHE 33 Cb 0.55 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 3a1u h PHE 33 CO 0.05 -0.19 0.36 -0.91 -2.02 0.00 0.00 178.31 175.60 3a1u h ASN 34 N -0.04 0.87 0.05 0.41 2.35 -0.28 -0.98 115.58 117.95 3a1u h ASN 34 Ca 0.18 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3a1u h ASN 34 Cb 0.32 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 3a1u h ASN 34 CO -0.40 0.73 -0.05 0.00 -1.65 0.00 0.00 177.43 176.06 3a1u h ALA 35 N 1.18 1.84 0.10 -0.83 0.00 -0.65 0.52 119.26 121.41 3a1u h ALA 35 Ca 0.24 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.75 3a1u h ALA 35 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3a1u h ALA 35 CO -0.04 0.06 -2.04 1.28 0.00 0.00 0.00 179.25 178.52 3a1u n LEU 36 N -4.36 2.46 -0.01 0.00 4.77 -0.70 -4.57 117.00 114.59 3a1u n LEU 36 Ca -0.03 0.18 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3a1u n LEU 36 Cb 0.13 -0.94 -0.16 0.00 -2.33 0.00 0.00 43.42 40.12 3a1u n LEU 36 CO 0.33 0.81 -0.72 0.35 -1.33 0.00 0.00 177.39 176.84 3a1u n THR 37 N -3.40 0.00 0.00 -5.08 -2.24 -0.40 -4.70 114.28 98.46 3a1u n THR 37 Ca -0.32 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3a1u n THR 37 Cb 1.04 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3a1u n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1u n GLY 38 N 1.35 3.98 0.22 3.38 0.00 0.17 -1.14 105.19 113.14 3a1u n GLY 38 Ca -0.03 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3a1u n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a1u n THR 39 N 0.00 0.00 -1.89 2.61 -2.24 -1.26 -4.58 114.28 106.92 3a1u n THR 39 Ca 0.00 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3a1u n THR 39 Cb 0.00 0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3a1u n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3a1u n LYS 40 N -0.70 3.27 -3.53 -0.78 5.02 -0.29 -4.84 118.16 116.30 3a1u n LYS 40 Ca 0.13 -2.89 -0.11 0.00 -2.02 0.00 0.00 58.31 53.42 3a1u n LYS 40 Cb 0.33 -3.09 -0.02 0.00 -0.02 0.00 0.00 35.03 32.23 3a1u n LYS 40 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3a1u s GLN 41 N 1.99 1.40 0.16 1.97 -2.07 -1.26 -1.67 119.66 120.19 3a1u s GLN 41 Ca 0.47 -0.60 -0.18 0.00 -1.82 0.00 0.00 55.36 53.23 3a1u s GLN 41 Cb 0.13 0.59 0.04 0.00 -1.09 0.00 0.00 33.01 32.68 3a1u s GLN 41 CO -0.06 -0.62 0.48 1.52 -1.32 0.00 0.00 175.29 175.29 3a1u s TYR 42 N -3.79 -0.22 -0.05 9.60 1.13 -0.26 -4.99 117.35 118.77 3a1u s TYR 42 Ca 0.04 -0.09 0.05 0.00 -1.41 0.00 0.00 57.07 55.66 3a1u s TYR 42 Cb -0.02 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 41.17 3a1u s TYR 42 CO -0.08 -0.81 -0.21 0.14 -2.51 0.00 0.00 175.55 172.08 3a1u s VAL 43 N -3.82 2.46 0.00 -3.49 -7.23 -1.26 -1.96 120.40 105.10 3a1u s VAL 43 Ca 0.05 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3a1u s VAL 43 Cb 0.00 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3a1u s VAL 43 CO -0.09 0.58 0.00 0.00 -0.31 0.00 0.00 175.10 175.28 3a1u n ALA 44 N 2.63 0.00 -2.61 1.32 0.00 0.07 -4.98 120.51 116.94 3a1u n ALA 44 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 3a1u n ALA 44 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 3a1u n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a1u s ASN 45 N 0.28 4.60 0.44 0.00 6.03 -1.26 0.83 114.94 125.86 3a1u s ASN 45 Ca 0.00 -0.31 -0.24 0.00 -1.03 0.00 0.00 52.86 51.27 3a1u s ASN 45 Cb 0.00 -0.96 -0.08 0.00 -3.03 0.00 0.00 41.25 37.18 3a1u s ASN 45 CO 0.00 0.18 1.25 0.26 -2.03 0.00 0.00 177.10 176.76 3a1u s TRP 46 N -1.24 2.81 0.09 1.54 0.52 -0.52 -4.64 118.94 117.51 3a1u s TRP 46 Ca 0.23 1.47 -0.35 0.00 0.02 0.00 0.00 56.10 57.46 3a1u s TRP 46 Cb -0.11 -3.56 -0.15 0.00 -1.15 0.00 0.00 33.47 28.50 3a1u s TRP 46 CO 0.15 -1.89 1.54 -2.30 0.02 0.00 0.00 176.95 174.47 3a1u n PRO 47 N -0.19 1.78 -0.24 4.98 -0.02 -1.26 -2.26 135.00 137.79 3a1u n PRO 47 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3a1u n PRO 47 Cb 0.45 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3a1u n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1u n GLY 48 N 3.26 1.99 3.34 -1.23 0.00 -1.26 -4.99 105.19 106.29 3a1u n GLY 48 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3a1u n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1u s VAL 49 N -3.06 0.36 -1.89 1.61 -7.23 -0.96 -5.06 120.40 104.17 3a1u s VAL 49 Ca 0.00 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.41 3a1u s VAL 49 Cb 0.00 -2.53 0.07 0.00 0.56 0.00 0.00 36.38 34.49 3a1u s VAL 49 CO 0.00 0.00 1.24 0.35 -0.31 0.00 0.00 175.10 176.38 3a1u n THR 50 N -0.57 0.00 -1.90 5.32 -2.24 -1.26 -4.29 114.28 109.34 3a1u n THR 50 Ca 0.01 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 3a1u n THR 50 Cb 0.65 0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 3a1u n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3a1u s VAL 51 N -2.52 2.35 0.21 2.28 1.01 -1.26 -4.82 120.40 117.65 3a1u s VAL 51 Ca 0.20 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 3a1u s VAL 51 Cb 0.18 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 3a1u s VAL 51 CO 0.57 0.05 1.47 -0.70 0.00 0.00 0.00 175.10 176.50 3a1u s GLU 52 N -0.78 4.26 -0.22 2.72 2.12 -1.26 -1.44 118.70 124.10 3a1u s GLU 52 Ca 0.59 2.29 -0.06 0.00 0.36 0.00 0.00 54.97 58.15 3a1u s GLU 52 Cb -0.45 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 3a1u s GLU 52 CO 0.49 -0.48 0.03 0.21 -0.54 0.00 0.00 175.26 174.97 3a1u s LYS 53 N 0.27 3.64 -0.17 4.30 2.20 0.24 -4.70 119.74 125.52 3a1u s LYS 53 Ca 0.63 -0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 55.70 3a1u s LYS 53 Cb -0.42 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 3a1u s LYS 53 CO 0.38 -0.06 -0.01 0.21 -0.36 0.00 0.00 175.35 175.51 3a1u s LYS 54 N 1.21 3.71 0.01 4.03 2.20 -1.26 -0.75 119.74 128.89 3a1u s LYS 54 Ca 0.04 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 3a1u s LYS 54 Cb -0.14 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 3a1u s LYS 54 CO 0.02 0.19 -0.04 -2.00 -0.36 0.00 0.00 175.35 173.16 3a1u s GLU 55 N 0.53 0.29 0.33 4.03 2.12 -0.83 -1.38 118.70 123.78 3a1u s GLU 55 Ca -0.02 -0.39 -0.09 0.00 0.36 0.00 0.00 54.97 54.84 3a1u s GLU 55 Cb -0.14 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.16 3a1u s GLU 55 CO 0.02 0.02 0.55 0.20 -0.54 0.00 0.00 175.26 175.51 3a1u s GLY 56 N -0.82 0.94 -0.04 -1.50 0.00 -0.09 -1.10 107.32 104.71 3a1u s GLY 56 Ca -0.07 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 3a1u s GLY 56 CO -0.00 -0.72 0.18 0.14 0.00 0.00 0.00 173.10 172.69 3a1u s VAL 57 N -3.16 0.03 0.13 1.40 1.01 -0.67 0.29 120.40 119.43 3a1u s VAL 57 Ca 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3a1u s VAL 57 Cb -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3a1u s VAL 57 CO 0.15 -0.14 0.10 0.72 0.00 0.00 0.00 175.10 175.94 3a1u s PHE 58 N -0.45 0.73 -0.05 5.22 -0.12 -0.60 -4.72 117.98 117.99 3a1u s PHE 58 Ca -0.05 -1.11 0.04 0.00 -0.05 0.00 0.00 56.93 55.76 3a1u s PHE 58 Cb -0.04 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 41.96 3a1u s PHE 58 CO 0.01 -0.56 -0.17 0.95 -0.05 0.00 0.00 175.22 175.41 3a1u s THR 59 N -4.02 2.84 -0.13 -4.49 -4.23 -1.26 -0.93 115.64 103.43 3a1u s THR 59 Ca 0.21 -0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 59.88 3a1u s THR 59 Cb 0.07 -2.10 0.06 0.00 1.34 0.00 0.00 72.50 71.87 3a1u s THR 59 CO 0.01 0.58 0.26 -0.47 -0.54 0.00 0.00 174.62 174.45 3a1u s TYR 60 N -0.61 -0.41 -1.60 3.99 5.04 -0.70 -4.86 117.35 118.20 3a1u s TYR 60 Ca 0.09 0.94 -0.15 0.00 -2.44 0.00 0.00 57.07 55.51 3a1u s TYR 60 Cb -0.11 -0.06 0.11 0.00 0.35 0.00 0.00 41.96 42.25 3a1u s TYR 60 CO 0.01 -0.36 0.85 1.63 -1.34 0.00 0.00 175.55 176.34 3a1u n LYS 61 N 5.35 -4.29 0.00 4.97 5.02 -1.26 -0.87 118.16 127.08 3a1u n LYS 61 Ca -0.06 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3a1u n LYS 61 Cb 0.50 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.26 3a1u n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1u n GLY 62 N -1.57 3.00 3.76 0.72 0.00 -1.26 -5.00 105.19 104.84 3a1u n GLY 62 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3a1u n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1u s TYR 63 N -1.20 2.49 -0.31 1.61 1.51 -0.05 -5.02 117.35 116.38 3a1u s TYR 63 Ca 0.00 1.53 -0.06 0.00 -1.01 0.00 0.00 57.07 57.53 3a1u s TYR 63 Cb 0.00 -3.41 0.03 0.00 -0.11 0.00 0.00 41.96 38.47 3a1u s TYR 63 CO 0.00 -1.98 0.07 0.99 -1.11 0.00 0.00 175.55 173.52 3a1u s THR 64 N -1.68 3.66 -0.24 -0.71 2.01 -1.26 -1.73 115.64 115.69 3a1u s THR 64 Ca 0.75 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 3a1u s THR 64 Cb -0.28 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 3a1u s THR 64 CO 0.31 -0.05 0.02 -0.63 -0.69 0.00 0.00 174.62 173.58 3a1u s ILE 65 N 1.41 3.83 -0.18 1.82 1.01 -0.10 -0.21 121.20 128.78 3a1u s ILE 65 Ca -0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 3a1u s ILE 65 Cb -0.18 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3a1u s ILE 65 CO 0.02 0.33 0.28 0.21 0.00 0.00 0.00 174.94 175.78 3a1u s ASN 66 N 1.53 6.38 -0.11 3.58 3.84 0.32 -1.56 114.94 128.93 3a1u s ASN 66 Ca 0.05 0.44 0.02 0.00 0.21 0.00 0.00 52.86 53.59 3a1u s ASN 66 Cb -0.15 -2.17 -0.01 0.00 -0.55 0.00 0.00 41.25 38.37 3a1u s ASN 66 CO 0.00 0.07 -0.19 -0.22 -2.79 0.00 0.00 177.10 173.97 3a1u s LEU 67 N 0.69 2.36 -0.18 3.21 2.96 0.15 -0.08 118.68 127.79 3a1u s LEU 67 Ca 0.15 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3a1u s LEU 67 Cb -0.13 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3a1u s LEU 67 CO 0.04 0.17 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.51 3a1u s ILE 68 N 0.27 2.98 -0.57 6.68 -1.09 0.22 -0.91 121.20 128.78 3a1u s ILE 68 Ca -0.14 -0.65 -0.17 0.00 -2.23 0.00 0.00 60.65 57.46 3a1u s ILE 68 Cb -0.17 -2.30 0.12 0.00 -1.58 0.00 0.00 42.46 38.53 3a1u s ILE 68 CO 0.07 0.49 0.61 -0.62 -1.23 0.00 0.00 174.94 174.25 3a1u s ASP 69 N 0.99 6.20 0.58 3.58 2.15 -0.48 -0.01 116.67 129.68 3a1u s ASP 69 Ca -0.01 -1.64 -0.15 0.00 0.43 0.00 0.00 52.55 51.18 3a1u s ASP 69 Cb -0.15 -2.26 -0.05 0.00 -0.30 0.00 0.00 42.92 40.17 3a1u s ASP 69 CO -0.01 -0.98 1.03 -0.76 -0.17 0.00 0.00 175.17 174.28 3a1u s LEU 70 N 2.10 3.47 0.48 -1.34 1.43 -0.74 -4.26 118.68 119.83 3a1u s LEU 70 Ca 0.08 1.66 -0.23 0.00 -1.03 0.00 0.00 54.13 54.61 3a1u s LEU 70 Cb -0.27 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.36 3a1u s LEU 70 CO 0.04 -0.96 1.18 -2.65 0.23 0.00 0.00 176.35 174.20 3a1u n PRO 71 N -2.07 1.57 -2.07 1.29 -0.02 -1.26 -4.88 135.00 127.57 3a1u n PRO 71 Ca 0.08 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 3a1u n PRO 71 Cb 0.53 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3a1u n PRO 71 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a1u s GLY 72 N -0.79 2.44 -0.08 -1.23 0.00 -1.26 -4.68 107.32 101.73 3a1u s GLY 72 Ca 0.66 1.27 -0.03 0.00 0.00 0.00 0.00 44.72 46.62 3a1u s GLY 72 CO 0.54 2.18 0.17 -0.51 0.00 0.00 0.00 173.10 175.48 3a1u s THR 73 N -0.13 -0.09 0.14 0.90 -4.23 -0.45 -4.51 115.64 107.27 3a1u s THR 73 Ca 0.57 0.21 0.06 0.00 -1.18 0.00 0.00 61.69 61.35 3a1u s THR 73 Cb -0.40 -0.28 -0.18 0.00 1.34 0.00 0.00 72.50 72.98 3a1u s THR 73 CO 0.43 0.08 1.33 1.88 -0.54 0.00 0.00 174.62 177.81 3a1u h TYR 74 N 7.44 0.07 -4.02 3.99 0.05 -1.94 -3.25 116.97 119.32 3a1u h TYR 74 Ca -0.37 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.23 3a1u h TYR 74 Cb 1.14 -0.01 -0.12 0.00 1.01 0.00 0.00 36.73 38.75 3a1u h TYR 74 CO 0.42 0.96 -0.35 0.45 -1.05 0.00 0.00 178.16 178.59 3a1u s SER 75 N -6.79 0.04 -0.71 3.88 0.15 -1.26 -4.46 113.70 104.54 3a1u s SER 75 Ca -0.00 -1.04 0.04 0.00 0.70 0.00 0.00 55.95 55.64 3a1u s SER 75 Cb 0.10 0.46 0.30 0.00 -1.71 0.00 0.00 66.02 65.17 3a1u s SER 75 CO 0.82 -0.95 1.03 0.18 1.20 0.00 0.00 173.24 175.52 3a1u n LEU 76 N -0.28 4.77 0.00 3.45 4.77 -1.26 -4.78 117.00 123.67 3a1u n LEU 76 Ca -0.03 -5.50 0.00 0.00 -0.03 0.00 0.00 56.01 50.45 3a1u n LEU 76 Cb 0.63 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3a1u n LEU 76 CO 0.26 2.13 0.00 0.61 -1.33 0.00 0.00 177.39 179.06 3a1u n GLY 77 N 0.39 0.25 2.75 -0.72 0.00 -1.26 -5.01 105.19 101.60 3a1u n GLY 77 Ca 0.32 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.59 3a1u n GLY 77 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3a1u n TYR 78 N 0.00 0.44 -0.04 1.61 4.19 -1.26 -4.30 117.16 117.80 3a1u n TYR 78 Ca 0.00 -2.24 -0.09 0.00 3.31 0.00 0.00 57.90 58.87 3a1u n TYR 78 Cb 0.00 0.14 -0.03 0.00 0.49 0.00 0.00 39.34 39.94 3a1u n TYR 78 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 3a1u n SER 79 N -0.59 0.67 -4.83 2.98 7.64 -1.26 -4.80 113.62 113.43 3a1u n SER 79 Ca 0.03 0.10 -0.35 0.00 1.01 0.00 0.00 58.87 59.66 3a1u n SER 79 Cb 0.82 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 3a1u n SER 79 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3a1u s SER 80 N -5.77 6.91 0.29 6.43 0.15 -1.26 -4.95 113.70 115.49 3a1u s SER 80 Ca -0.12 1.24 -0.02 0.00 0.70 0.00 0.00 55.95 57.74 3a1u s SER 80 Cb 0.05 -2.35 0.42 0.00 -1.71 0.00 0.00 66.02 62.42 3a1u s SER 80 CO 0.16 0.03 1.94 -0.29 1.20 0.00 0.00 173.24 176.28 3a1u h ILE 81 N 2.65 1.22 -0.01 6.45 6.09 -1.99 -0.75 117.51 131.17 3a1u h ILE 81 Ca -0.48 -0.46 0.01 0.00 -1.37 0.00 0.00 64.86 62.56 3a1u h ILE 81 Cb 1.19 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 3a1u h ILE 81 CO 0.66 0.22 -0.05 -2.24 -3.07 0.00 0.00 178.15 173.67 3a1u h ASP 82 N 1.10 -0.15 -0.67 2.19 3.04 -1.94 -1.25 116.42 118.74 3a1u h ASP 82 Ca 0.29 0.02 -0.07 0.00 -3.24 0.00 0.00 57.03 54.04 3a1u h ASP 82 Cb -0.07 0.06 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 3a1u h ASP 82 CO -0.06 -0.08 0.17 -0.33 -2.04 0.00 0.00 179.24 176.91 3a1u h GLU 83 N -0.09 1.09 -0.21 4.15 5.08 -1.76 -0.99 114.58 121.85 3a1u h GLU 83 Ca 0.02 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3a1u h GLU 83 Cb 0.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3a1u h GLU 83 CO -0.06 0.96 0.13 0.87 -1.00 0.00 0.00 179.01 179.91 3a1u h LYS 84 N 1.04 0.29 0.07 2.33 1.57 -1.00 -0.28 116.57 120.58 3a1u h LYS 84 Ca 0.22 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3a1u h LYS 84 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3a1u h LYS 84 CO 0.00 0.22 -0.03 0.82 -0.57 0.00 0.00 179.45 179.89 3a1u h ILE 85 N 0.27 1.03 -0.19 1.86 2.04 -1.01 -0.07 117.51 121.45 3a1u h ILE 85 Ca 0.08 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3a1u h ILE 85 Cb 0.01 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3a1u h ILE 85 CO -0.02 0.08 0.01 0.00 0.00 0.00 0.00 178.15 178.23 3a1u h ALA 86 N 0.68 0.17 -0.37 1.87 0.00 -1.10 -1.27 119.26 119.24 3a1u h ALA 86 Ca -0.01 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3a1u h ALA 86 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3a1u h ALA 86 CO 0.02 -0.42 -0.18 -0.09 0.00 0.00 0.00 179.25 178.58 3a1u h ARG 87 N 0.08 0.77 -0.82 0.00 2.43 -0.99 -1.21 114.38 114.64 3a1u h ARG 87 Ca 0.09 -0.34 0.08 0.00 -0.81 0.00 0.00 59.98 59.00 3a1u h ARG 87 Cb 0.10 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 3a1u h ARG 87 CO -0.14 0.96 0.49 -0.44 -1.51 0.00 0.00 179.97 179.33 3a1u h ASP 88 N 0.57 0.73 -0.25 -3.80 3.32 -0.85 0.01 116.42 116.15 3a1u h ASP 88 Ca 0.08 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3a1u h ASP 88 Cb 0.72 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3a1u h ASP 88 CO 0.05 0.44 -0.06 0.22 -1.72 0.00 0.00 179.24 178.18 3a1u h TYR 89 N 0.86 0.55 -0.91 4.55 3.20 -0.94 0.22 116.97 124.49 3a1u h TYR 89 Ca 0.38 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3a1u h TYR 89 Cb 0.27 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3a1u h TYR 89 CO -0.05 0.71 0.58 -0.07 -1.64 0.00 0.00 178.16 177.68 3a1u h LEU 90 N 0.24 1.06 0.03 2.82 3.38 -0.83 0.92 115.31 122.93 3a1u h LEU 90 Ca 0.06 -0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 3a1u h LEU 90 Cb 0.53 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3a1u h LEU 90 CO 0.02 0.79 -1.79 0.18 0.09 0.00 0.00 178.44 177.73 3a1u n LEU 91 N -4.38 1.27 -0.07 1.67 4.77 -0.04 -4.53 117.00 115.68 3a1u n LEU 91 Ca 0.10 0.36 0.01 0.00 -0.03 0.00 0.00 56.01 56.45 3a1u n LEU 91 Cb 0.04 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3a1u n LEU 91 CO 0.37 0.50 0.21 0.29 -1.33 0.00 0.00 177.39 177.43 3a1u n LYS 92 N -3.14 1.25 -0.24 3.23 5.02 0.75 -4.99 118.16 120.04 3a1u n LYS 92 Ca -0.21 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.61 3a1u n LYS 92 Cb 1.05 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 3a1u n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1u n GLY 93 N 0.39 0.37 0.41 0.72 0.00 0.31 -4.97 105.19 102.43 3a1u n GLY 93 Ca 0.01 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.26 3a1u n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a1u n ASP 94 N -1.58 1.93 -4.74 1.61 5.75 -1.26 -5.00 116.55 113.26 3a1u n ASP 94 Ca 0.00 -3.58 -0.41 0.00 -0.01 0.00 0.00 54.79 50.79 3a1u n ASP 94 Cb 0.00 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 39.58 3a1u n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a1u s ALA 95 N -3.06 3.65 0.10 2.12 0.00 -1.26 -4.78 121.76 118.53 3a1u s ALA 95 Ca 0.36 1.36 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 3a1u s ALA 95 Cb 0.33 -3.57 -0.20 0.00 0.00 0.00 0.00 23.12 19.68 3a1u s ALA 95 CO -0.03 -0.78 1.21 -0.44 0.00 0.00 0.00 175.76 175.72 3a1u h ASP 96 N 5.13 0.46 -5.17 0.00 3.32 -0.78 -3.48 116.42 115.91 3a1u h ASP 96 Ca -0.46 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.09 3a1u h ASP 96 Cb 1.22 -0.15 -0.11 0.00 0.22 0.00 0.00 39.33 40.51 3a1u h ASP 96 CO 0.79 1.30 -0.13 -1.48 -1.72 0.00 0.00 179.24 177.99 3a1u s LEU 97 N -7.38 0.49 -0.03 1.55 0.05 -1.14 -4.55 118.68 107.68 3a1u s LEU 97 Ca -0.05 -0.67 0.07 0.00 0.05 0.00 0.00 54.13 53.53 3a1u s LEU 97 Cb 0.08 1.70 -0.01 0.00 -2.05 0.00 0.00 46.19 45.90 3a1u s LEU 97 CO 0.88 -0.98 -0.22 -0.69 -0.55 0.00 0.00 176.35 174.78 3a1u s VAL 98 N -3.92 1.78 -0.27 1.48 1.01 0.34 -2.26 120.40 118.55 3a1u s VAL 98 Ca 0.13 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 3a1u s VAL 98 Cb 0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3a1u s VAL 98 CO -0.01 0.50 0.08 -0.63 0.00 0.00 0.00 175.10 175.04 3a1u s ILE 99 N -0.42 4.13 -0.45 2.22 1.01 0.19 -0.66 121.20 127.23 3a1u s ILE 99 Ca 0.06 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 3a1u s ILE 99 Cb -0.10 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.36 3a1u s ILE 99 CO 0.00 0.20 0.84 -0.22 0.00 0.00 0.00 174.94 175.76 3a1u s LEU 100 N 1.56 4.15 -0.29 2.97 1.98 -0.15 -1.12 118.68 127.77 3a1u s LEU 100 Ca 0.05 0.01 -0.23 0.00 -2.89 0.00 0.00 54.13 51.07 3a1u s LEU 100 Cb -0.16 -3.06 -0.00 0.00 0.66 0.00 0.00 46.19 43.63 3a1u s LEU 100 CO 0.03 -0.96 0.78 -0.69 -1.89 0.00 0.00 176.35 173.62 3a1u s VAL 101 N 3.46 4.82 0.02 1.68 1.01 0.02 -0.85 120.40 130.55 3a1u s VAL 101 Ca 0.33 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.60 3a1u s VAL 101 Cb -0.11 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3a1u s VAL 101 CO 0.24 -0.20 -0.16 0.00 0.00 0.00 0.00 175.10 174.98 3a1u s ALA 102 N 2.90 2.67 -0.52 5.51 0.00 0.12 -4.46 121.76 127.99 3a1u s ALA 102 Ca 0.32 -1.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 3a1u s ALA 102 Cb -0.14 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.18 3a1u s ALA 102 CO 0.11 0.58 1.14 0.34 0.00 0.00 0.00 175.76 177.94 3a1u s ASP 103 N -1.35 6.54 0.46 0.00 -1.08 -1.26 -0.90 116.67 119.08 3a1u s ASP 103 Ca 0.15 0.28 0.14 0.00 -0.52 0.00 0.00 52.55 52.59 3a1u s ASP 103 Cb -0.11 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.85 3a1u s ASP 103 CO 0.05 -1.34 2.02 0.28 0.52 0.00 0.00 175.17 176.70 3a1u h SER 104 N 9.36 0.03 0.20 -0.34 0.02 -1.72 -2.08 113.55 119.01 3a1u h SER 104 Ca -0.24 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.48 3a1u h SER 104 Cb 1.06 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.60 3a1u h SER 104 CO 1.15 0.17 -0.90 0.58 -1.14 0.00 0.00 176.83 176.68 3a1u h VAL 105 N 0.03 1.36 -2.31 2.27 2.07 -1.85 -3.39 116.25 114.44 3a1u h VAL 105 Ca 0.01 -2.29 -0.59 0.00 0.82 0.00 0.00 66.70 64.65 3a1u h VAL 105 Cb 0.25 2.29 -0.40 0.00 -1.52 0.00 0.00 31.29 31.92 3a1u h VAL 105 CO 0.02 0.69 -0.88 0.59 0.02 0.00 0.00 177.57 178.01 3a1u n ASN 106 N -3.81 1.19 0.02 0.57 3.02 -0.92 -4.99 115.26 110.33 3a1u n ASN 106 Ca -0.07 -2.84 0.13 0.00 -0.03 0.00 0.00 54.58 51.76 3a1u n ASN 106 Cb 0.81 -0.64 0.36 0.00 -0.61 0.00 0.00 39.78 39.70 3a1u n ASN 106 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3a1u n PRO 107 N 1.78 0.09 0.01 3.52 -0.04 -0.83 -4.40 135.00 135.12 3a1u n PRO 107 Ca 0.25 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.65 3a1u n PRO 107 Cb 0.46 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 3a1u n PRO 107 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3a1u h GLU 108 N 0.00 -0.09 -0.62 0.54 3.07 -1.94 -0.42 114.58 115.11 3a1u h GLU 108 Ca 0.00 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3a1u h GLU 108 Cb 0.58 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 3a1u h GLU 108 CO 0.00 -0.06 0.21 1.96 -1.40 0.00 0.00 179.01 179.72 3a1u h GLN 109 N -0.09 0.93 -0.59 2.33 4.20 -1.98 -1.49 115.11 118.42 3a1u h GLN 109 Ca 0.07 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3a1u h GLN 109 Cb 0.19 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3a1u h GLN 109 CO -0.15 0.79 0.24 0.77 -0.67 0.00 0.00 178.83 179.81 3a1u h SER 110 N 0.91 0.81 0.41 1.46 0.02 -1.61 -1.97 113.55 113.58 3a1u h SER 110 Ca 0.21 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 3a1u h SER 110 Cb 0.24 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3a1u h SER 110 CO -0.01 0.76 -0.55 -0.07 -1.14 0.00 0.00 176.83 175.82 3a1u h LEU 111 N 0.81 0.16 0.15 5.07 3.38 -0.70 0.96 115.31 125.14 3a1u h LEU 111 Ca 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3a1u h LEU 111 Cb 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3a1u h LEU 111 CO -0.02 0.68 -0.07 0.22 0.09 0.00 0.00 178.44 179.34 3a1u h TYR 112 N 0.12 -0.18 -0.87 1.13 5.03 -1.12 -1.73 116.97 119.35 3a1u h TYR 112 Ca -0.00 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.36 3a1u h TYR 112 Cb 1.00 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 39.28 3a1u h TYR 112 CO 0.01 -0.02 0.54 1.25 -1.32 0.00 0.00 178.16 178.62 3a1u h LEU 113 N -0.31 0.86 -0.60 2.82 5.85 -1.14 -2.12 115.31 120.68 3a1u h LEU 113 Ca -0.02 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3a1u h LEU 113 Cb 0.24 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 3a1u h LEU 113 CO 0.03 0.55 0.24 0.25 -0.34 0.00 0.00 178.44 179.18 3a1u h LEU 114 N 0.99 0.27 -1.09 2.25 5.85 -0.56 -2.21 115.31 120.81 3a1u h LEU 114 Ca 0.37 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.16 3a1u h LEU 114 Cb 0.15 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3a1u h LEU 114 CO -0.17 0.17 0.54 -0.07 -0.34 0.00 0.00 178.44 178.57 3a1u h LEU 115 N 0.44 1.02 -0.90 2.25 3.38 -0.62 -0.14 115.31 120.73 3a1u h LEU 115 Ca 0.29 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.22 3a1u h LEU 115 Cb 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3a1u h LEU 115 CO -0.28 0.77 0.59 -0.33 0.09 0.00 0.00 178.44 179.28 3a1u h GLU 116 N 1.19 1.19 -0.16 1.13 5.08 -1.24 -2.41 114.58 119.35 3a1u h GLU 116 Ca 0.31 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.39 3a1u h GLU 116 Cb -0.08 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 28.91 3a1u h GLU 116 CO -0.06 0.79 -0.73 0.82 -1.00 0.00 0.00 179.01 178.83 3a1u h ILE 117 N 1.22 1.29 -0.53 3.13 2.04 -0.90 -3.02 117.51 120.74 3a1u h ILE 117 Ca 0.33 -1.96 0.02 0.00 1.00 0.00 0.00 64.86 64.25 3a1u h ILE 117 Cb -0.13 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3a1u h ILE 117 CO -0.07 0.62 0.35 -0.07 0.00 0.00 0.00 178.15 178.98 3a1u h LEU 118 N 0.51 0.54 -1.50 1.44 3.38 -0.89 -0.41 115.31 118.39 3a1u h LEU 118 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3a1u h LEU 118 Cb 1.35 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3a1u h LEU 118 CO 0.15 0.38 0.00 -0.33 0.09 0.00 0.00 178.44 178.73 3a1u h GLU 119 N 0.63 0.00 0.00 1.13 5.08 -1.30 -0.69 114.58 119.43 3a1u h GLU 119 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3a1u h GLU 119 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3a1u h GLU 119 CO -0.05 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.63 3a1u n MET 120 N -2.69 0.04 -3.57 2.33 2.81 -0.16 -4.47 117.12 111.41 3a1u n MET 120 Ca 0.00 0.14 -0.23 0.00 -1.81 0.00 0.00 57.70 55.80 3a1u n MET 120 Cb 0.20 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.29 3a1u n MET 120 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3a1u n GLU 121 N -1.47 -7.77 -3.81 0.03 1.02 -0.26 -4.72 120.64 103.65 3a1u n GLU 121 Ca 0.06 0.83 -0.20 0.00 -0.02 0.00 0.00 57.16 57.82 3a1u n GLU 121 Cb 0.23 -5.86 -0.02 0.00 -0.02 0.00 0.00 31.44 25.77 3a1u n GLU 121 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3a1u s LYS 122 N -6.18 3.19 -0.02 3.49 -0.14 -1.26 -4.89 119.74 113.92 3a1u s LYS 122 Ca 0.51 -0.94 -0.30 0.00 -1.36 0.00 0.00 55.97 53.87 3a1u s LYS 122 Cb -0.22 -2.78 -0.05 0.00 -1.68 0.00 0.00 37.83 33.10 3a1u s LYS 122 CO 0.72 0.27 1.36 0.15 -0.76 0.00 0.00 175.35 177.09 3a1u s LYS 123 N -4.03 4.29 -0.02 1.68 1.02 -1.26 -4.91 119.74 116.51 3a1u s LYS 123 Ca 0.38 1.90 0.03 0.00 0.02 0.00 0.00 55.97 58.30 3a1u s LYS 123 Cb -0.09 -3.59 -0.00 0.00 -0.52 0.00 0.00 37.83 33.63 3a1u s LYS 123 CO 0.29 -0.56 -0.10 0.08 -0.92 0.00 0.00 175.35 174.13 3a1u s VAL 124 N 2.47 0.86 -0.11 3.17 1.01 -1.26 -0.50 120.40 126.03 3a1u s VAL 124 Ca 0.62 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3a1u s VAL 124 Cb -0.30 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3a1u s VAL 124 CO 0.25 0.26 -0.12 -0.63 0.00 0.00 0.00 175.10 174.86 3a1u s ILE 125 N 0.01 3.18 -0.32 2.22 1.01 0.17 -4.25 121.20 123.22 3a1u s ILE 125 Ca -0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 3a1u s ILE 125 Cb -0.07 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 3a1u s ILE 125 CO 0.00 0.54 0.64 -0.22 0.00 0.00 0.00 174.94 175.91 3a1u s LEU 126 N 0.05 4.17 -0.42 2.97 2.96 -0.43 -0.98 118.68 127.00 3a1u s LEU 126 Ca -0.04 0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 54.09 3a1u s LEU 126 Cb -0.14 -2.83 0.04 0.00 0.50 0.00 0.00 46.19 43.75 3a1u s LEU 126 CO 0.04 -0.52 0.31 0.00 -1.32 0.00 0.00 176.35 174.86 3a1u s ALA 127 N 2.67 3.47 -0.84 5.97 0.00 -0.03 -1.02 121.76 131.98 3a1u s ALA 127 Ca 0.26 -1.83 -0.22 0.00 0.00 0.00 0.00 51.96 50.16 3a1u s ALA 127 Cb -0.15 -2.89 0.07 0.00 0.00 0.00 0.00 23.12 20.16 3a1u s ALA 127 CO 0.13 -1.53 1.19 -1.64 0.00 0.00 0.00 175.76 173.91 3a1u s MET 128 N 1.64 3.37 0.61 0.00 1.00 -0.01 -0.70 119.30 125.22 3a1u s MET 128 Ca 0.04 -1.04 0.04 0.00 0.00 0.00 0.00 55.69 54.73 3a1u s MET 128 Cb -0.20 -4.68 0.09 0.00 0.00 0.00 0.00 34.83 30.03 3a1u s MET 128 CO 0.08 -1.96 0.84 -0.08 0.00 0.00 0.00 175.02 173.90 3a1u s THR 129 N 4.23 2.32 -1.43 2.05 -1.32 -0.08 -1.06 115.64 120.36 3a1u s THR 129 Ca 0.33 -0.79 -0.09 0.00 -1.21 0.00 0.00 61.69 59.92 3a1u s THR 129 Cb -0.08 -2.53 0.06 0.00 -1.51 0.00 0.00 72.50 68.44 3a1u s THR 129 CO 0.01 0.00 0.67 0.00 -2.21 0.00 0.00 174.62 173.08 3a1u n ALA 130 N -2.44 -1.10 0.25 11.08 0.00 -0.90 -2.12 120.51 125.29 3a1u n ALA 130 Ca 0.13 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.86 3a1u n ALA 130 Cb 0.61 -3.58 0.68 0.00 0.00 0.00 0.00 19.45 17.16 3a1u n ALA 130 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a1u h ILE 131 N -1.41 0.66 -0.56 0.00 6.09 -1.59 -1.26 117.51 119.44 3a1u h ILE 131 Ca -0.50 -0.59 -0.03 0.00 -1.37 0.00 0.00 64.86 62.38 3a1u h ILE 131 Cb 1.33 1.37 -0.03 0.00 0.47 0.00 0.00 36.82 39.96 3a1u h ILE 131 CO 0.58 0.14 0.24 -2.24 -3.07 0.00 0.00 178.15 173.80 3a1u h ASP 132 N 0.00 0.72 0.12 2.19 2.03 -1.89 -0.60 116.42 118.99 3a1u h ASP 132 Ca -0.00 -0.08 -0.23 0.00 -0.73 0.00 0.00 57.03 55.99 3a1u h ASP 132 Cb 0.36 -0.18 0.02 0.00 -0.83 0.00 0.00 39.33 38.70 3a1u h ASP 132 CO 0.02 0.63 -0.98 -0.33 -1.03 0.00 0.00 179.24 177.55 3a1u h GLU 133 N 0.79 0.46 -0.99 4.15 5.08 -1.64 -3.31 114.58 119.12 3a1u h GLU 133 Ca 0.19 -0.65 0.04 0.00 -1.00 0.00 0.00 59.36 57.94 3a1u h GLU 133 Cb 0.12 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3a1u h GLU 133 CO -0.02 1.28 0.65 0.00 -1.00 0.00 0.00 179.01 179.91 3a1u h ALA 134 N 0.21 1.36 0.00 3.43 0.00 -1.13 -2.53 119.26 120.60 3a1u h ALA 134 Ca -0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3a1u h ALA 134 Cb 1.72 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3a1u h ALA 134 CO 0.19 0.54 -0.15 1.57 0.00 0.00 0.00 179.25 181.39 3a1u h LYS 135 N 1.24 0.00 0.00 0.00 2.10 -1.20 -2.19 116.57 116.52 3a1u h LYS 135 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 3a1u h LYS 135 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3a1u h LYS 135 CO -0.12 0.15 0.00 1.63 -2.00 0.00 0.00 179.45 179.11 3a1u n LYS 136 N -3.39 0.18 0.11 0.07 5.02 -0.95 -2.38 118.16 116.82 3a1u n LYS 136 Ca -0.00 0.07 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 3a1u n LYS 136 Cb 0.35 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.09 3a1u n LYS 136 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3a1u h THR 137 N 0.00 0.00 0.00 -0.18 1.35 -1.46 -3.47 112.91 109.15 3a1u h THR 137 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3a1u h THR 137 Cb 0.32 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3a1u h THR 137 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3a1u n GLY 138 N 1.26 1.14 3.74 5.82 0.00 -1.00 -5.04 105.19 111.11 3a1u n GLY 138 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3a1u n GLY 138 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3a1u s MET 139 N -0.52 2.58 -0.30 1.61 0.23 -1.26 -4.80 119.30 116.84 3a1u s MET 139 Ca 0.00 1.71 -0.03 0.00 -1.03 0.00 0.00 55.69 56.35 3a1u s MET 139 Cb 0.00 -1.89 0.05 0.00 -1.53 0.00 0.00 34.83 31.45 3a1u s MET 139 CO 0.00 -1.49 0.01 0.21 -2.03 0.00 0.00 175.02 171.73 3a1u s LYS 140 N -3.73 2.50 -0.24 3.16 2.20 -1.26 -4.81 119.74 117.56 3a1u s LYS 140 Ca 0.74 -1.23 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 3a1u s LYS 140 Cb -0.28 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 3a1u s LYS 140 CO 0.40 -0.61 0.15 0.42 -0.36 0.00 0.00 175.35 175.35 3a1u s ILE 141 N 1.29 5.21 -0.53 5.43 1.01 -1.26 -1.25 121.20 131.09 3a1u s ILE 141 Ca -0.04 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 3a1u s ILE 141 Cb -0.19 -3.43 0.13 0.00 0.01 0.00 0.00 42.46 38.97 3a1u s ILE 141 CO -0.01 0.34 0.49 -0.62 0.00 0.00 0.00 174.94 175.14 3a1u s ASP 142 N 1.19 6.16 0.40 3.58 -1.08 0.31 -4.93 116.67 122.30 3a1u s ASP 142 Ca 0.07 -1.79 0.08 0.00 -0.52 0.00 0.00 52.55 50.39 3a1u s ASP 142 Cb -0.14 -2.20 0.85 0.00 -1.46 0.00 0.00 42.92 39.98 3a1u s ASP 142 CO 0.05 -0.84 2.02 -0.09 0.52 0.00 0.00 175.17 176.83 3a1u h ARG 143 N 8.86 0.57 -0.62 4.34 2.43 -1.97 -1.59 114.38 126.41 3a1u h ARG 143 Ca -0.29 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3a1u h ARG 143 Cb 1.10 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3a1u h ARG 143 CO 1.02 0.38 0.12 -0.92 -1.51 0.00 0.00 179.97 179.06 3a1u h TYR 144 N 0.59 1.07 -0.21 2.20 3.20 -1.97 -0.41 116.97 121.44 3a1u h TYR 144 Ca 0.21 -0.14 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 3a1u h TYR 144 Cb 0.11 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3a1u h TYR 144 CO -0.00 0.91 -0.37 0.93 -1.64 0.00 0.00 178.16 177.98 3a1u h GLU 145 N 0.92 0.47 -0.28 1.82 4.39 -1.67 0.68 114.58 120.90 3a1u h GLU 145 Ca 0.19 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3a1u h GLU 145 Cb 0.40 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3a1u h GLU 145 CO 0.01 0.78 0.10 -0.07 -1.16 0.00 0.00 179.01 178.66 3a1u h LEU 146 N 0.39 0.40 -0.86 1.33 3.38 -1.11 -1.90 115.31 116.95 3a1u h LEU 146 Ca 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3a1u h LEU 146 Cb 0.84 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3a1u h LEU 146 CO 0.07 0.48 0.46 1.56 0.09 0.00 0.00 178.44 181.10 3a1u h GLN 147 N 0.30 1.20 -0.34 1.13 4.20 -0.79 -0.38 115.11 120.44 3a1u h GLN 147 Ca 0.09 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3a1u h GLN 147 Cb 0.21 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3a1u h GLN 147 CO -0.01 0.89 0.19 -0.22 -0.67 0.00 0.00 178.83 179.02 3a1u h LYS 148 N 1.20 0.47 0.00 1.46 3.64 -0.68 0.14 116.57 122.80 3a1u h LYS 148 Ca 0.30 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3a1u h LYS 148 Cb 0.05 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3a1u h LYS 148 CO -0.05 0.38 -0.67 0.45 -2.27 0.00 0.00 179.45 177.30 3a1u h HIS 149 N 0.43 0.00 0.00 1.91 3.86 -1.19 -3.35 115.15 116.82 3a1u h HIS 149 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3a1u h HIS 149 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3a1u h HIS 149 CO -0.03 0.00 -1.27 1.28 0.86 0.00 0.00 177.93 178.77 3a1u n LEU 150 N -2.42 0.19 -1.07 2.43 4.77 -0.16 -5.01 117.00 115.72 3a1u n LEU 150 Ca 0.02 -0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 3a1u n LEU 150 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3a1u n LEU 150 CO 0.37 0.05 -0.13 0.61 -1.33 0.00 0.00 177.39 176.96 3a1u n GLY 151 N 1.62 1.05 3.23 -0.72 0.00 0.03 -4.90 105.19 105.50 3a1u n GLY 151 Ca -0.01 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 3a1u n GLY 151 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1u s ILE 152 N -2.51 0.75 0.33 -0.61 -4.36 -1.25 -4.95 121.20 108.60 3a1u s ILE 152 Ca 0.00 -1.98 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 3a1u s ILE 152 Cb 0.00 -2.01 -0.10 0.00 1.25 0.00 0.00 42.46 41.60 3a1u s ILE 152 CO 0.00 -0.58 1.30 -2.84 0.24 0.00 0.00 174.94 173.06 3a1u s PRO 153 N -3.88 4.35 -0.05 0.37 0.02 -1.26 -4.49 135.00 130.06 3a1u s PRO 153 Ca 0.21 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.47 3a1u s PRO 153 Cb 0.05 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 3a1u s PRO 153 CO 0.02 -0.19 -0.18 0.08 -0.33 0.00 0.00 177.00 176.40 3a1u s VAL 154 N -1.15 1.50 -0.04 3.83 1.01 -1.26 -1.31 120.40 122.97 3a1u s VAL 154 Ca 0.49 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3a1u s VAL 154 Cb -0.39 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3a1u s VAL 154 CO 0.52 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 175.29 3a1u s VAL 155 N 0.09 0.76 -0.04 2.92 1.01 -0.19 -4.99 120.40 119.98 3a1u s VAL 155 Ca -0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 3a1u s VAL 155 Cb -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3a1u s VAL 155 CO 0.03 0.26 0.77 -0.36 0.00 0.00 0.00 175.10 175.80 3a1u s PHE 156 N 0.59 3.61 0.08 5.22 0.08 -1.26 -0.83 117.98 125.47 3a1u s PHE 156 Ca -0.10 1.38 0.03 0.00 0.12 0.00 0.00 56.93 58.36 3a1u s PHE 156 Cb -0.13 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.42 3a1u s PHE 156 CO 0.01 0.09 -0.10 0.95 -0.10 0.00 0.00 175.22 176.07 3a1u s THR 157 N 0.74 0.84 -0.05 0.64 -4.23 -0.23 -3.69 115.64 109.67 3a1u s THR 157 Ca 0.41 -1.42 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 3a1u s THR 157 Cb -0.19 -1.10 0.03 0.00 1.34 0.00 0.00 72.50 72.58 3a1u s THR 157 CO 0.21 -0.45 0.01 -0.55 -0.54 0.00 0.00 174.62 173.30 3a1u s SER 158 N -2.08 1.08 0.02 3.99 0.15 -0.14 -2.09 113.70 114.63 3a1u s SER 158 Ca -0.00 -0.02 0.24 0.00 0.70 0.00 0.00 55.95 56.86 3a1u s SER 158 Cb -0.06 -0.29 1.01 0.00 -1.71 0.00 0.00 66.02 64.97 3a1u s SER 158 CO 0.00 -0.17 1.77 -1.20 1.20 0.00 0.00 173.24 174.84 3a1u n SER 159 N 4.83 0.07 -0.07 5.45 7.64 -1.26 -0.77 113.62 129.51 3a1u n SER 159 Ca -0.13 0.51 -0.09 0.00 1.01 0.00 0.00 58.87 60.17 3a1u n SER 159 Cb 0.50 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 63.12 3a1u n SER 159 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3a1u h VAL 160 N 0.00 0.60 0.00 0.44 2.07 -1.95 -3.41 116.25 113.99 3a1u h VAL 160 Ca 0.00 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 3a1u h VAL 160 Cb 0.43 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3a1u h VAL 160 CO 0.00 0.20 -1.28 0.35 0.02 0.00 0.00 177.57 176.87 3a1u n THR 161 N -4.62 0.62 -0.47 2.57 -2.24 -1.24 -4.96 114.28 103.93 3a1u n THR 161 Ca -0.11 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3a1u n THR 161 Cb 0.33 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3a1u n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1u n GLY 162 N 1.24 0.74 3.62 3.38 0.00 0.05 -5.02 105.19 109.20 3a1u n GLY 162 Ca -0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.51 3a1u n GLY 162 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a1u n GLU 163 N -2.02 1.58 -0.08 1.61 2.13 -1.22 -2.47 120.64 120.18 3a1u n GLU 163 Ca 0.00 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3a1u n GLU 163 Cb 0.00 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 29.54 3a1u n GLU 163 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1u n GLY 164 N 2.33 2.45 0.15 8.31 0.00 -1.24 -0.97 105.19 116.22 3a1u n GLY 164 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 3a1u n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a1u h LEU 165 N 0.00 0.37 -0.77 0.99 3.38 -1.76 0.19 115.31 117.72 3a1u h LEU 165 Ca 0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3a1u h LEU 165 Cb 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3a1u h LEU 165 CO 0.00 0.36 -0.09 -0.33 0.09 0.00 0.00 178.44 178.48 3a1u h GLU 166 N 0.36 0.84 -0.72 1.13 4.39 -1.90 -1.66 114.58 117.03 3a1u h GLU 166 Ca 0.10 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 3a1u h GLU 166 Cb 0.08 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3a1u h GLU 166 CO -0.02 0.90 0.27 1.49 -1.16 0.00 0.00 179.01 180.49 3a1u h GLU 167 N 0.76 1.08 -0.42 2.33 4.81 -1.85 -1.18 114.58 120.11 3a1u h GLU 167 Ca 0.13 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3a1u h GLU 167 Cb 0.58 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3a1u h GLU 167 CO 0.04 0.89 0.21 1.25 -0.73 0.00 0.00 179.01 180.66 3a1u h LEU 168 N 1.05 0.54 -0.48 1.64 5.85 -0.30 -0.04 115.31 123.56 3a1u h LEU 168 Ca 0.24 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3a1u h LEU 168 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3a1u h LEU 168 CO -0.02 0.51 0.31 0.11 -0.34 0.00 0.00 178.44 179.01 3a1u h LYS 169 N 0.54 0.64 -0.88 1.25 1.57 -1.00 0.04 116.57 118.74 3a1u h LYS 169 Ca 0.14 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3a1u h LYS 169 Cb 0.10 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3a1u h LYS 169 CO -0.02 0.44 0.57 1.49 -0.57 0.00 0.00 179.45 181.36 3a1u h GLU 170 N 0.65 1.16 -0.29 3.15 4.57 -0.94 -2.53 114.58 120.35 3a1u h GLU 170 Ca 0.18 -0.08 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 3a1u h GLU 170 Cb -0.05 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.27 3a1u h GLU 170 CO -0.04 0.78 -0.33 -0.22 -1.18 0.00 0.00 179.01 178.02 3a1u h LYS 171 N 1.19 0.62 -0.05 1.92 1.63 -0.42 -0.39 116.57 121.07 3a1u h LYS 171 Ca 0.32 -0.28 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 3a1u h LYS 171 Cb -0.12 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 3a1u h LYS 171 CO -0.07 0.87 -0.05 0.82 -3.45 0.00 0.00 179.45 177.57 3a1u h ILE 172 N 0.52 0.86 -0.22 2.00 2.04 -0.66 0.56 117.51 122.62 3a1u h ILE 172 Ca 0.06 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.74 3a1u h ILE 172 Cb 0.82 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3a1u h ILE 172 CO 0.07 0.00 -0.58 -0.37 0.00 0.00 0.00 178.15 177.27 3a1u h VAL 173 N -0.06 1.30 -0.22 1.67 -1.51 -1.33 0.50 116.25 116.60 3a1u h VAL 173 Ca 0.04 -1.81 0.03 0.00 -1.23 0.00 0.00 66.70 63.73 3a1u h VAL 173 Cb 0.11 1.75 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 3a1u h VAL 173 CO -0.09 0.57 0.05 -0.08 -1.23 0.00 0.00 177.57 176.80 3a1u h GLU 174 N 0.54 0.14 -0.25 5.19 4.81 -0.98 -2.94 114.58 121.09 3a1u h GLU 174 Ca 0.00 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 3a1u h GLU 174 Cb 1.17 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3a1u h GLU 174 CO 0.12 0.09 -0.46 -0.92 -0.73 0.00 0.00 179.01 177.11 3a1u h TYR 175 N 0.14 0.79 0.00 0.92 5.03 -0.80 -3.10 116.97 119.95 3a1u h TYR 175 Ca 0.10 -0.25 0.00 0.00 2.58 0.00 0.00 58.73 61.16 3a1u h TYR 175 Cb 0.09 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.21 3a1u h TYR 175 CO -0.14 0.99 0.00 0.00 -1.32 0.00 0.00 178.16 177.69 3a1u h ALA 176 N 0.97 1.00 0.00 1.82 0.00 -0.77 -2.39 119.26 119.90 3a1u h ALA 176 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a1u h ALA 176 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3a1u h ALA 176 CO 0.09 0.00 -0.27 1.04 0.00 0.00 0.00 179.25 180.11 3a1u n GLN 177 N -3.05 0.11 -2.42 0.00 6.02 -1.12 -4.90 117.38 112.01 3a1u n GLN 177 Ca -0.01 0.06 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 3a1u n GLN 177 Cb 0.16 -1.59 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 3a1u n GLN 177 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3a1u s LYS 178 N -3.05 3.91 0.00 -1.09 1.02 -0.90 -4.97 119.74 114.66 3a1u s LYS 178 Ca 0.11 1.02 0.17 0.00 0.02 0.00 0.00 55.97 57.29 3a1u s LYS 178 Cb 0.16 -2.13 0.48 0.00 -0.52 0.00 0.00 37.83 35.82 3a1u s LYS 178 CO 0.63 -0.31 1.39 0.27 -0.92 0.00 0.00 175.35 176.42 3a1u n ASN 179 N -1.48 2.69 -3.56 2.83 6.94 -1.26 -4.94 115.26 116.48 3a1u n ASN 179 Ca 0.07 -1.97 -0.07 0.00 -0.02 0.00 0.00 54.58 52.59 3a1u n ASN 179 Cb 0.54 -0.31 -0.02 0.00 -2.36 0.00 0.00 39.78 37.62 3a1u n ASN 179 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3a1u s THR 180 N -1.37 0.00 0.00 5.53 -1.32 -1.26 -5.24 115.64 111.98 3a1u s THR 180 Ca 0.34 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 3a1u s THR 180 Cb 0.18 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 3a1u s THR 180 CO 0.24 0.00 0.00 2.30 -2.21 0.00 0.00 174.62 174.95 3a1u n ILE 181 N -0.25 0.00 -4.25 5.08 -5.35 -1.26 -5.03 119.36 108.29 3a1u n ILE 181 Ca -0.07 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.19 3a1u n ILE 181 Cb 0.61 -0.39 -0.17 0.00 -1.74 0.00 0.00 39.64 37.95 3a1u n ILE 181 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3a1u s ARG 184 N 0.00 1.16 -0.69 6.28 0.52 -1.26 -5.00 118.95 119.97 3a1u s ARG 184 Ca 0.00 -0.21 -0.27 0.00 -0.52 0.00 0.00 55.73 54.74 3a1u s ARG 184 Cb 0.00 -1.10 0.01 0.00 0.52 0.00 0.00 34.95 34.38 3a1u s ARG 184 CO 0.00 -0.08 1.55 1.41 0.02 0.00 0.00 175.30 178.20 3a1u s MET 185 N 0.97 2.93 -0.43 3.54 -2.45 -1.26 -4.95 119.30 117.64 3a1u s MET 185 Ca -0.10 0.13 -0.04 0.00 -1.25 0.00 0.00 55.69 54.44 3a1u s MET 185 Cb -0.15 -4.29 0.12 0.00 1.25 0.00 0.00 34.83 31.76 3a1u s MET 185 CO 0.00 -2.42 0.24 -1.50 1.05 0.00 0.00 175.02 172.39 3a1u s ILE 186 N 7.27 3.46 -0.32 10.11 1.10 -1.26 -4.70 121.20 136.86 3a1u s ILE 186 Ca 0.50 -2.08 -0.13 0.00 -0.51 0.00 0.00 60.65 58.43 3a1u s ILE 186 Cb -0.10 -3.35 -0.03 0.00 0.15 0.00 0.00 42.46 39.13 3a1u s ILE 186 CO 0.17 -0.72 0.24 -0.22 -2.11 0.00 0.00 174.94 172.31 3a1u s LEU 187 N 1.09 4.33 -0.14 8.50 2.96 -1.26 -5.04 118.68 129.11 3a1u s LEU 187 Ca 0.08 -0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.47 3a1u s LEU 187 Cb -0.23 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 3a1u s LEU 187 CO -0.04 -0.18 1.37 -0.62 -1.32 0.00 0.00 176.35 175.56 3a1u s ASP 188 N 1.73 6.86 0.00 3.68 -1.08 -1.26 -4.90 116.67 121.70 3a1u s ASP 188 Ca 0.07 1.81 0.20 0.00 -0.52 0.00 0.00 52.55 54.12 3a1u s ASP 188 Cb -0.17 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.29 3a1u s ASP 188 CO 0.11 -0.82 1.44 -1.22 0.52 0.00 0.00 175.17 175.20 3a1u n TYR 189 N 6.80 0.54 0.00 -5.34 4.01 -1.26 -5.05 117.16 116.86 3a1u n TYR 189 Ca 0.15 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3a1u n TYR 189 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 3a1u n TYR 189 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a1u n GLY 190 N 1.38 1.15 0.14 2.72 0.00 -1.26 -4.44 105.19 104.88 3a1u n GLY 190 Ca 0.18 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 3a1u n GLY 190 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3a1u h GLU 191 N 0.00 0.23 0.43 1.61 4.11 -1.98 -0.91 114.58 118.06 3a1u h GLU 191 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 3a1u h GLU 191 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3a1u h GLU 191 CO 0.00 0.15 -0.20 -0.22 0.07 0.00 0.00 179.01 178.81 3a1u h LYS 192 N 0.24 -0.55 -0.49 1.06 1.63 -2.00 -1.02 116.57 115.44 3a1u h LYS 192 Ca 0.14 0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.93 3a1u h LYS 192 Cb 0.10 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 3a1u h LYS 192 CO -0.14 -0.32 0.13 0.28 -3.45 0.00 0.00 179.45 175.95 3a1u h VAL 193 N -0.66 1.24 -0.30 2.00 2.07 -1.76 -2.11 116.25 116.73 3a1u h VAL 193 Ca -0.06 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3a1u h VAL 193 Cb 0.48 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3a1u h VAL 193 CO 0.10 0.30 0.06 -0.33 0.02 0.00 0.00 177.57 177.71 3a1u h GLU 194 N 0.67 0.43 -0.39 1.57 4.39 -1.13 0.12 114.58 120.24 3a1u h GLU 194 Ca 0.15 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3a1u h GLU 194 Cb 0.32 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3a1u h GLU 194 CO 0.00 0.41 0.09 1.03 -1.16 0.00 0.00 179.01 179.39 3a1u h SER 195 N 0.42 0.60 -0.23 1.42 0.87 -0.81 -2.08 113.55 113.75 3a1u h SER 195 Ca 0.10 -0.24 -0.14 0.00 -1.23 0.00 0.00 61.79 60.29 3a1u h SER 195 Cb 0.19 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3a1u h SER 195 CO -0.00 0.68 -0.35 -0.33 -0.53 0.00 0.00 176.83 176.29 3a1u h GLU 196 N 0.49 0.75 -0.49 2.24 4.39 -0.71 -2.17 114.58 119.09 3a1u h GLU 196 Ca 0.12 -0.37 0.02 0.00 0.34 0.00 0.00 59.36 59.48 3a1u h GLU 196 Cb 0.32 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3a1u h GLU 196 CO 0.00 0.99 0.30 0.82 -1.16 0.00 0.00 179.01 179.95 3a1u h ILE 197 N 0.63 1.06 -0.76 3.13 2.04 -0.92 -1.06 117.51 121.63 3a1u h ILE 197 Ca 0.06 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3a1u h ILE 197 Cb 0.89 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3a1u h ILE 197 CO 0.08 0.11 0.42 0.50 0.00 0.00 0.00 178.15 179.26 3a1u h LYS 198 N 0.59 1.06 -0.35 2.37 1.63 -1.14 0.83 116.57 121.56 3a1u h LYS 198 Ca 0.20 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3a1u h LYS 198 Cb 0.01 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 3a1u h LYS 198 CO -0.09 0.79 0.22 0.87 -3.45 0.00 0.00 179.45 177.80 3a1u h LYS 199 N 1.06 0.44 -0.48 1.90 1.57 -1.02 0.24 116.57 120.27 3a1u h LYS 199 Ca 0.27 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3a1u h LYS 199 Cb 0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3a1u h LYS 199 CO -0.04 0.29 0.24 0.28 -0.57 0.00 0.00 179.45 179.65 3a1u h VAL 200 N 0.45 1.19 -0.63 0.50 2.07 -0.76 -1.40 116.25 117.67 3a1u h VAL 200 Ca 0.13 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3a1u h VAL 200 Cb -0.03 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3a1u h VAL 200 CO -0.04 0.20 0.40 -0.33 0.02 0.00 0.00 177.57 177.82 3a1u h GLU 201 N 0.63 0.79 -0.45 1.57 5.08 -0.51 -1.03 114.58 120.67 3a1u h GLU 201 Ca 0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3a1u h GLU 201 Cb 0.11 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3a1u h GLU 201 CO -0.02 0.52 0.25 -0.97 -1.00 0.00 0.00 179.01 177.79 3a1u h ASN 202 N 0.81 0.55 -0.39 1.42 -1.24 -0.71 -2.44 115.58 113.58 3a1u h ASN 202 Ca 0.24 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 3a1u h ASN 202 Cb -0.05 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 3a1u h ASN 202 CO -0.07 0.47 0.08 0.15 -1.29 0.00 0.00 177.43 176.77 3a1u h PHE 203 N 0.59 0.74 -0.26 0.67 3.04 -0.85 -2.64 116.94 118.23 3a1u h PHE 203 Ca 0.16 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.04 3a1u h PHE 203 Cb 0.04 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.33 3a1u h PHE 203 CO -0.02 0.65 0.00 1.28 -2.02 0.00 0.00 178.31 178.20 3a1u n LEU 204 N -4.27 1.85 -0.13 0.59 4.77 -0.43 -4.54 117.00 114.84 3a1u n LEU 204 Ca 0.03 -0.85 0.19 0.00 -0.03 0.00 0.00 56.01 55.35 3a1u n LEU 204 Cb 0.24 -0.17 0.59 0.00 -2.33 0.00 0.00 43.42 41.74 3a1u n LEU 204 CO 0.40 0.42 1.21 -0.09 -1.33 0.00 0.00 177.39 178.00 3a1u h ARG 205 N 2.24 0.23 0.00 3.23 2.43 -1.06 -0.32 114.38 121.12 3a1u h ARG 205 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3a1u h ARG 205 Cb 0.50 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3a1u h ARG 205 CO 0.00 0.15 -1.06 -0.25 -1.51 0.00 0.00 179.97 177.30 3a1u n ASP 206 N -4.42 0.82 -4.78 -3.80 8.00 -1.26 -4.97 116.55 106.12 3a1u n ASP 206 Ca 0.14 -0.76 -0.35 0.00 0.71 0.00 0.00 54.79 54.52 3a1u n ASP 206 Cb 0.63 1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 42.72 3a1u n ASP 206 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3a1u s LYS 207 N -3.07 3.86 -0.64 -1.24 -0.14 -0.13 -4.98 119.74 113.40 3a1u s LYS 207 Ca 0.06 1.51 -0.22 0.00 -1.36 0.00 0.00 55.97 55.96 3a1u s LYS 207 Cb 0.16 -2.29 0.07 0.00 -1.68 0.00 0.00 37.83 34.09 3a1u s LYS 207 CO 0.85 -0.40 0.93 -1.59 -0.76 0.00 0.00 175.35 174.38 3a1u s LYS 208 N -2.90 3.13 0.15 1.68 -2.85 -1.26 -5.03 119.74 112.66 3a1u s LYS 208 Ca 0.64 -0.82 0.01 0.00 -1.00 0.00 0.00 55.97 54.80 3a1u s LYS 208 Cb -0.21 -4.21 -0.04 0.00 -2.06 0.00 0.00 37.83 31.31 3a1u s LYS 208 CO 0.26 -1.75 0.31 -0.51 0.10 0.00 0.00 175.35 173.76 3a1u s LEU 209 N 3.91 4.31 0.00 2.77 1.43 -1.26 -5.00 118.68 124.83 3a1u s LEU 209 Ca 0.22 0.27 0.23 0.00 -1.03 0.00 0.00 54.13 53.82 3a1u s LEU 209 Cb -0.17 -3.01 0.58 0.00 0.03 0.00 0.00 46.19 43.62 3a1u s LEU 209 CO 0.11 0.04 1.50 0.54 0.23 0.00 0.00 176.35 178.77 3a1u n ARG 210 N -0.41 2.66 -3.73 1.70 5.12 -1.26 -4.92 116.66 115.82 3a1u n ARG 210 Ca -0.06 -2.55 -0.11 0.00 -1.93 0.00 0.00 57.85 53.20 3a1u n ARG 210 Cb 0.53 -1.56 -0.06 0.00 -1.16 0.00 0.00 32.46 30.21 3a1u n ARG 210 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3a1u s ILE 211 N -1.17 0.09 0.60 0.55 1.10 -1.26 -5.02 121.20 116.08 3a1u s ILE 211 Ca 0.46 -0.74 -0.20 0.00 -0.51 0.00 0.00 60.65 59.66 3a1u s ILE 211 Cb 0.25 -1.11 -0.03 0.00 0.15 0.00 0.00 42.46 41.72 3a1u s ILE 211 CO 0.33 -0.41 1.33 -0.46 -2.11 0.00 0.00 174.94 173.63 3a1u n ASN 212 N 0.16 2.41 0.22 4.50 0.23 -1.26 -4.83 115.26 116.69 3a1u n ASN 212 Ca -0.17 0.90 0.06 0.00 -0.53 0.00 0.00 54.58 54.84 3a1u n ASN 212 Cb 0.62 -1.57 0.50 0.00 -2.08 0.00 0.00 39.78 37.24 3a1u n ASN 212 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3a1u h PRO 213 N 0.97 0.00 -0.07 -0.53 0.11 -1.98 -2.28 132.00 128.22 3a1u h PRO 213 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3a1u h PRO 213 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3a1u h PRO 213 CO 0.55 0.24 0.00 -0.09 -0.21 0.00 0.00 178.00 178.49 3a1u h ARG 214 N 0.00 0.11 -0.48 1.05 2.43 -1.93 0.82 114.38 116.37 3a1u h ARG 214 Ca -0.00 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3a1u h ARG 214 Cb 0.46 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 3a1u h ARG 214 CO 0.03 0.37 0.28 -0.92 -1.51 0.00 0.00 179.97 178.22 3a1u h TYR 215 N -0.16 0.51 -0.35 2.20 3.20 -1.74 -0.73 116.97 119.90 3a1u h TYR 215 Ca 0.02 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3a1u h TYR 215 Cb 0.32 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 3a1u h TYR 215 CO 0.03 0.28 0.07 0.35 -1.64 0.00 0.00 178.16 177.25 3a1u h PHE 216 N 0.55 0.13 -0.55 -3.82 3.04 -1.22 -1.94 116.94 113.12 3a1u h PHE 216 Ca 0.20 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 3a1u h PHE 216 Cb 0.05 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 3a1u h PHE 216 CO -0.08 0.03 0.31 0.00 -2.02 0.00 0.00 178.31 176.55 3a1u h ALA 217 N 1.26 0.71 -0.58 2.41 0.00 -0.38 -0.13 119.26 122.55 3a1u h ALA 217 Ca 0.17 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3a1u h ALA 217 Cb 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3a1u h ALA 217 CO -0.21 0.21 0.32 -0.07 0.00 0.00 0.00 179.25 179.50 3a1u h LEU 218 N 0.74 0.48 -0.22 0.00 3.38 -0.71 -0.27 115.31 118.72 3a1u h LEU 218 Ca 0.20 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 3a1u h LEU 218 Cb 0.03 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3a1u h LEU 218 CO -0.03 0.33 -0.72 0.11 0.09 0.00 0.00 178.44 178.21 3a1u h LYS 219 N 0.61 0.77 -0.04 1.13 1.79 -1.00 -2.10 116.57 117.73 3a1u h LYS 219 Ca 0.25 -0.60 -0.00 0.00 -2.18 0.00 0.00 60.65 58.13 3a1u h LYS 219 Cb 0.12 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3a1u h LYS 219 CO -0.15 1.21 0.02 -0.92 -1.08 0.00 0.00 179.45 178.53 3a1u h TYR 220 N 0.54 0.05 -0.34 -1.35 5.03 -0.87 -1.29 116.97 118.74 3a1u h TYR 220 Ca -0.04 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.27 3a1u h TYR 220 Cb 1.34 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.59 3a1u h TYR 220 CO 0.08 0.09 0.20 -0.07 -1.32 0.00 0.00 178.16 177.14 3a1u h LEU 221 N -0.00 0.40 -0.00 2.82 3.38 -1.06 -1.64 115.31 119.21 3a1u h LEU 221 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a1u h LEU 221 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3a1u h LEU 221 CO -0.00 0.32 -0.00 -1.20 0.09 0.00 0.00 178.44 177.64 3a1u n SER 222 N -4.46 0.00 -0.60 -0.43 7.64 -0.79 -4.25 113.62 110.73 3a1u n SER 222 Ca 0.02 -0.51 -0.06 0.00 1.01 0.00 0.00 58.87 59.34 3a1u n SER 222 Cb 0.08 -0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 3a1u n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a1u n GLY 223 N 1.17 0.39 3.67 0.23 0.00 -0.62 -4.59 105.19 105.44 3a1u n GLY 223 Ca 0.18 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 45.06 3a1u n GLY 223 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1u n ASP 224 N 0.93 2.85 -0.33 1.61 2.03 -0.52 -4.80 116.55 118.32 3a1u n ASP 224 Ca -0.07 1.12 0.10 0.00 0.52 0.00 0.00 54.79 56.46 3a1u n ASP 224 Cb 0.42 -1.42 0.27 0.00 -0.72 0.00 0.00 41.12 39.67 3a1u n ASP 224 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a1u h PRO 225 N 4.87 0.68 0.01 -0.67 0.11 -1.90 0.94 132.00 136.04 3a1u h PRO 225 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a1u h PRO 225 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3a1u h PRO 225 CO 0.81 0.45 -0.00 1.49 -0.21 0.00 0.00 178.00 180.53 3a1u h GLU 226 N 0.70 -0.01 -0.13 1.05 4.81 -1.89 -3.26 114.58 115.85 3a1u h GLU 226 Ca 0.52 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.63 3a1u h GLU 226 Cb 0.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3a1u h GLU 226 CO -0.38 0.40 -0.45 0.74 -0.73 0.00 0.00 179.01 178.59 3a1u h PHE 227 N -1.00 0.39 -0.46 0.92 0.04 -1.86 -0.22 116.94 114.75 3a1u h PHE 227 Ca -0.00 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.57 3a1u h PHE 227 Cb 0.41 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3a1u h PHE 227 CO 0.11 0.72 -0.02 -0.92 -0.60 0.00 0.00 178.31 177.60 3a1u h TYR 228 N 0.26 0.90 -0.39 -0.55 3.20 -1.00 0.87 116.97 120.27 3a1u h TYR 228 Ca 0.02 -0.16 -0.15 0.00 3.14 0.00 0.00 58.73 61.57 3a1u h TYR 228 Cb 0.90 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3a1u h TYR 228 CO 0.02 0.88 -0.35 0.77 -1.64 0.00 0.00 178.16 177.84 3a1u h SER 229 N 0.67 0.98 -0.24 -2.11 0.02 -1.56 -1.97 113.55 109.33 3a1u h SER 229 Ca 0.13 -0.46 -0.09 0.00 -0.84 0.00 0.00 61.79 60.52 3a1u h SER 229 Cb 0.53 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3a1u h SER 229 CO 0.03 1.23 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.71 3a1u h GLU 230 N 0.74 0.68 0.11 3.45 4.57 -0.97 -2.35 114.58 120.79 3a1u h GLU 230 Ca 0.07 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3a1u h GLU 230 Cb 0.94 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3a1u h GLU 230 CO 0.09 0.81 -0.05 0.78 -1.18 0.00 0.00 179.01 179.45 3a1u h GLY 231 N 0.98 -0.15 0.62 1.92 0.00 -0.70 -1.86 103.07 103.88 3a1u h GLY 231 Ca 0.10 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.62 3a1u h GLY 231 CO 0.04 -0.05 0.55 -2.08 0.00 0.00 0.00 176.54 174.99 3a1u h VAL 232 N -0.31 0.85 0.00 4.60 2.07 -1.31 -0.56 116.25 121.59 3a1u h VAL 232 Ca -0.01 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 3a1u h VAL 232 Cb 0.25 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3a1u h VAL 232 CO 0.02 0.12 -0.45 0.11 0.02 0.00 0.00 177.57 177.39 3a1u h LYS 233 N 0.63 0.00 -0.00 1.57 1.57 -1.09 -2.29 116.57 116.96 3a1u h LYS 233 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3a1u h LYS 233 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3a1u h LYS 233 CO -0.17 0.45 -0.01 1.28 -0.57 0.00 0.00 179.45 180.42 3a1u n LEU 234 N -3.94 0.34 0.00 2.94 4.77 -0.31 -4.87 117.00 115.92 3a1u n LEU 234 Ca -0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3a1u n LEU 234 Cb 0.48 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3a1u n LEU 234 CO 0.39 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3a1u n GLY 235 N 1.09 0.95 3.76 -0.72 0.00 -0.86 -5.05 105.19 104.36 3a1u n GLY 235 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3a1u n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1u s LEU 236 N 0.00 4.04 0.77 0.99 1.43 -0.64 -4.96 118.68 120.31 3a1u s LEU 236 Ca 0.00 2.64 -0.12 0.00 -1.03 0.00 0.00 54.13 55.63 3a1u s LEU 236 Cb 0.00 -4.10 0.06 0.00 0.03 0.00 0.00 46.19 42.18 3a1u s LEU 236 CO 0.00 -1.14 1.11 -2.16 0.23 0.00 0.00 176.35 174.39 3a1u s PRO 237 N -2.58 2.18 0.58 1.29 0.04 -1.26 -4.16 135.00 131.08 3a1u s PRO 237 Ca 0.64 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 3a1u s PRO 237 Cb -0.37 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3a1u s PRO 237 CO 0.46 -1.72 1.12 -1.21 0.04 0.00 0.00 177.00 175.70 3a1u s GLU 238 N -4.66 3.19 0.08 4.56 2.02 -1.26 -4.83 118.70 117.79 3a1u s GLU 238 Ca 0.64 1.55 0.09 0.00 0.02 0.00 0.00 54.97 57.27 3a1u s GLU 238 Cb -0.19 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 3a1u s GLU 238 CO 0.53 -0.97 -0.24 -0.51 0.02 0.00 0.00 175.26 174.09 3a1u s LEU 239 N -4.12 2.33 0.71 1.80 1.43 -1.26 -5.13 118.68 114.45 3a1u s LEU 239 Ca 0.71 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 3a1u s LEU 239 Cb -0.23 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.69 3a1u s LEU 239 CO 0.31 0.23 1.11 -0.94 0.23 0.00 0.00 176.35 177.29 3a1u s SER 240 N -1.61 4.78 0.26 2.29 1.04 -1.26 -4.84 113.70 114.36 3a1u s SER 240 Ca 0.13 1.96 -0.03 0.00 0.48 0.00 0.00 55.95 58.50 3a1u s SER 240 Cb -0.10 -2.54 0.42 0.00 0.10 0.00 0.00 66.02 63.89 3a1u s SER 240 CO 0.05 -1.85 1.85 -0.08 0.98 0.00 0.00 173.24 174.18 3a1u h GLU 241 N -0.46 0.97 -0.78 4.02 4.81 -2.00 -1.22 114.58 119.93 3a1u h GLU 241 Ca -0.46 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3a1u h GLU 241 Cb 1.24 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 3a1u h GLU 241 CO 0.52 0.64 0.47 0.93 -0.73 0.00 0.00 179.01 180.85 3a1u h GLU 242 N 1.00 1.06 0.01 1.92 5.08 -1.99 -0.79 114.58 120.87 3a1u h GLU 242 Ca 0.43 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3a1u h GLU 242 Cb 0.28 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3a1u h GLU 242 CO -0.21 0.75 -0.00 0.93 -1.00 0.00 0.00 179.01 179.48 3a1u h GLU 243 N 1.07 -0.01 -0.63 2.33 5.08 -1.71 -0.89 114.58 119.82 3a1u h GLU 243 Ca 0.28 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3a1u h GLU 243 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3a1u h GLU 243 CO -0.05 0.24 0.41 0.00 -1.00 0.00 0.00 179.01 178.61 3a1u h ARG 244 N -0.26 0.79 -0.73 2.33 3.08 -1.04 0.59 114.38 119.15 3a1u h ARG 244 Ca -0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3a1u h ARG 244 Cb 0.25 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3a1u h ARG 244 CO 0.00 0.53 0.26 0.82 -1.07 0.00 0.00 179.97 180.50 3a1u h ILE 245 N 0.82 1.25 -0.34 2.04 2.04 -1.13 -1.01 117.51 121.18 3a1u h ILE 245 Ca 0.24 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 3a1u h ILE 245 Cb -0.06 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3a1u h ILE 245 CO -0.07 0.34 0.02 1.23 0.00 0.00 0.00 178.15 179.67 3a1u h GLY 246 N 1.11 0.64 0.93 5.37 0.00 -0.27 -1.85 103.07 109.00 3a1u h GLY 246 Ca 0.24 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3a1u h GLY 246 CO -0.01 0.42 0.03 -0.97 0.00 0.00 0.00 176.54 176.01 3a1u h TYR 247 N 0.41 0.69 -0.88 5.60 0.05 -0.82 -2.07 116.97 119.95 3a1u h TYR 247 Ca 0.10 -0.11 0.08 0.00 0.05 0.00 0.00 58.73 58.85 3a1u h TYR 247 Cb 0.42 -0.18 -0.07 0.00 1.01 0.00 0.00 36.73 37.91 3a1u h TYR 247 CO 0.03 0.71 0.54 -0.09 -1.05 0.00 0.00 178.16 178.30 3a1u h ARG 248 N 0.47 0.91 -0.10 4.88 2.43 -1.08 -1.27 114.38 120.63 3a1u h ARG 248 Ca 0.11 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 58.99 3a1u h ARG 248 Cb 0.42 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3a1u h ARG 248 CO 0.01 0.60 -0.85 -0.07 -1.51 0.00 0.00 179.97 178.15 3a1u h LEU 249 N 0.94 0.87 -0.69 3.80 3.38 -1.20 -1.97 115.31 120.43 3a1u h LEU 249 Ca 0.40 -0.61 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 3a1u h LEU 249 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3a1u h LEU 249 CO -0.21 1.40 0.11 0.25 0.09 0.00 0.00 178.44 180.08 3a1u h LEU 250 N 0.46 1.07 -0.18 1.67 6.46 -1.08 0.01 115.31 123.71 3a1u h LEU 250 Ca -0.07 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.40 3a1u h LEU 250 Cb 1.48 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 3a1u h LEU 250 CO 0.17 1.05 -0.00 0.40 -0.62 0.00 0.00 178.44 179.44 3a1u h ILE 251 N 1.04 1.26 -0.53 4.05 2.04 -1.21 -1.56 117.51 122.59 3a1u h ILE 251 Ca 0.20 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.22 3a1u h ILE 251 Cb 0.44 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3a1u h ILE 251 CO 0.01 0.26 0.33 0.00 0.00 0.00 0.00 178.15 178.75 3a1u h ALA 252 N 0.77 0.68 -0.76 1.87 0.00 -1.23 -1.66 119.26 118.92 3a1u h ALA 252 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a1u h ALA 252 Cb 0.39 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3a1u h ALA 252 CO 0.01 0.06 0.50 0.87 0.00 0.00 0.00 179.25 180.69 3a1u h LYS 253 N 0.66 1.00 -0.44 0.00 6.56 -0.85 -0.46 116.57 123.03 3a1u h LYS 253 Ca 0.21 -0.06 -0.10 0.00 -1.06 0.00 0.00 60.65 59.63 3a1u h LYS 253 Cb -0.01 -0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 31.40 3a1u h LYS 253 CO -0.08 0.66 -0.14 -0.09 -2.06 0.00 0.00 179.45 177.74 3a1u h ARG 254 N 1.03 0.82 -0.37 3.15 9.65 -1.00 -1.40 114.38 126.26 3a1u h ARG 254 Ca 0.28 -0.30 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3a1u h ARG 254 Cb -0.12 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 3a1u h ARG 254 CO -0.06 0.92 0.15 0.87 2.80 0.00 0.00 179.97 184.65 3a1u h LYS 255 N 0.74 0.55 -0.48 0.20 1.57 -0.95 -1.63 116.57 116.57 3a1u h LYS 255 Ca 0.12 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3a1u h LYS 255 Cb 0.65 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 3a1u h LYS 255 CO 0.05 0.52 0.18 0.00 -0.57 0.00 0.00 179.45 179.63 3a1u h ARG 256 N 0.46 0.36 -0.87 3.15 2.47 -0.84 -1.01 114.38 118.10 3a1u h ARG 256 Ca 0.12 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3a1u h ARG 256 Cb 0.17 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 3a1u h ARG 256 CO -0.01 0.24 0.54 0.93 0.56 0.00 0.00 179.97 182.23 3a1u h GLU 257 N 0.37 1.16 -0.51 0.04 5.08 -1.10 -0.41 114.58 119.21 3a1u h GLU 257 Ca 0.22 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3a1u h GLU 257 Cb 0.21 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3a1u h GLU 257 CO -0.22 0.80 0.07 -0.92 -1.00 0.00 0.00 179.01 177.75 3a1u h TYR 258 N 1.19 0.91 -0.47 4.33 3.20 -0.73 -2.05 116.97 123.34 3a1u h TYR 258 Ca 0.31 -0.13 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3a1u h TYR 258 Cb -0.08 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.91 3a1u h TYR 258 CO -0.00 0.83 0.31 0.28 -1.64 0.00 0.00 178.16 177.93 3a1u h VAL 259 N 0.73 1.10 -0.83 1.81 2.07 -0.76 -0.42 116.25 119.95 3a1u h VAL 259 Ca 0.15 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3a1u h VAL 259 Cb 0.41 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 3a1u h VAL 259 CO 0.01 0.11 0.46 -0.33 0.02 0.00 0.00 177.57 177.85 3a1u h GLU 260 N 0.62 0.74 -0.36 1.57 5.08 -0.87 -0.65 114.58 120.71 3a1u h GLU 260 Ca 0.18 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 3a1u h GLU 260 Cb -0.05 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3a1u h GLU 260 CO -0.05 0.49 -0.43 -0.97 -1.00 0.00 0.00 179.01 177.05 3a1u h ASN 261 N 0.76 1.00 -0.50 1.42 -1.24 -0.66 -1.56 115.58 114.80 3a1u h ASN 261 Ca 0.41 -0.49 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 3a1u h ASN 261 Cb 0.41 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 3a1u h ASN 261 CO -0.27 1.28 0.28 0.58 -1.29 0.00 0.00 177.43 178.02 3a1u h VAL 262 N 0.74 1.16 -0.66 2.57 2.07 -0.62 -1.77 116.25 119.74 3a1u h VAL 262 Ca 0.05 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3a1u h VAL 262 Cb 1.03 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3a1u h VAL 262 CO 0.10 0.17 0.23 0.58 0.02 0.00 0.00 177.57 178.68 3a1u h VAL 263 N 0.66 1.24 -0.51 2.57 2.07 -1.01 -0.34 116.25 120.93 3a1u h VAL 263 Ca 0.18 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3a1u h VAL 263 Cb 0.03 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3a1u h VAL 263 CO -0.03 0.31 0.03 0.11 0.02 0.00 0.00 177.57 178.01 3a1u h LYS 264 N 0.96 0.84 0.00 1.57 6.56 -0.98 -1.20 116.57 124.33 3a1u h LYS 264 Ca 0.22 -0.22 -0.22 0.00 -1.06 0.00 0.00 60.65 59.37 3a1u h LYS 264 Cb 0.24 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.76 3a1u h LYS 264 CO -0.01 0.82 -1.10 0.93 -2.06 0.00 0.00 179.45 178.02 3a1u h GLU 265 N 0.79 0.01 0.00 3.15 4.39 -0.85 -3.38 114.58 118.68 3a1u h GLU 265 Ca 0.16 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3a1u h GLU 265 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3a1u h GLU 265 CO 0.02 0.93 -0.73 0.00 -1.16 0.00 0.00 179.01 178.07 3a1u n ALA 266 N -2.38 3.57 -2.49 3.43 0.00 -0.18 -4.93 120.51 117.52 3a1u n ALA 266 Ca -0.03 -0.36 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 3a1u n ALA 266 Cb 0.96 -0.47 -0.16 0.00 0.00 0.00 0.00 19.45 19.77 3a1u n ALA 266 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3a1u s PHE 267 N -2.32 2.32 0.02 0.00 0.08 -0.46 -0.53 117.98 117.09 3a1u s PHE 267 Ca 0.04 -0.54 -0.05 0.00 0.12 0.00 0.00 56.93 56.50 3a1u s PHE 267 Cb 0.10 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 3a1u s PHE 267 CO 0.54 -0.11 0.08 0.00 -0.10 0.00 0.00 175.22 175.63 3a1u s ALA 268 N -0.42 -0.12 -2.00 5.36 0.00 -0.38 -4.73 121.76 119.47 3a1u s ALA 268 Ca 0.04 -0.39 0.15 0.00 0.00 0.00 0.00 51.96 51.76 3a1u s ALA 268 Cb -0.11 0.17 0.87 0.00 0.00 0.00 0.00 23.12 24.04 3a1u s ALA 268 CO 0.01 -0.24 1.29 -0.25 0.00 0.00 0.00 175.76 176.57