#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1v s MET 16 N 0.00 3.67 -0.12 1.57 -2.45 -1.26 -0.71 119.30 120.00 3a1v s MET 16 Ca 0.00 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 53.95 3a1v s MET 16 Cb 0.00 -3.02 0.02 0.00 1.25 0.00 0.00 34.83 33.08 3a1v s MET 16 CO 0.00 0.14 -0.15 0.08 1.05 0.00 0.00 175.02 176.13 3a1v s VAL 17 N 0.67 1.55 -0.26 10.11 1.01 0.12 -5.00 120.40 128.59 3a1v s VAL 17 Ca -0.01 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 3a1v s VAL 17 Cb -0.14 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 3a1v s VAL 17 CO 0.02 0.45 0.20 -0.75 0.00 0.00 0.00 175.10 175.02 3a1v s LYS 18 N 1.17 4.00 -0.05 2.72 2.20 -1.26 -0.44 119.74 128.07 3a1v s LYS 18 Ca -0.02 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 3a1v s LYS 18 Cb -0.14 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 3a1v s LYS 18 CO -0.05 -0.10 -0.15 0.08 -0.36 0.00 0.00 175.35 174.77 3a1v s VAL 19 N 1.53 1.30 -0.14 4.02 1.01 -0.24 0.62 120.40 128.51 3a1v s VAL 19 Ca 0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3a1v s VAL 19 Cb -0.15 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3a1v s VAL 19 CO 0.09 0.38 0.03 0.00 0.00 0.00 0.00 175.10 175.59 3a1v s ALA 20 N 0.23 3.32 -0.38 5.51 0.00 -0.88 -1.06 121.76 128.49 3a1v s ALA 20 Ca -0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.95 3a1v s ALA 20 Cb -0.13 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.31 3a1v s ALA 20 CO 0.03 0.37 0.41 -0.51 0.00 0.00 0.00 175.76 176.06 3a1v s LEU 21 N -0.20 4.66 0.18 0.00 1.43 0.76 -0.67 118.68 124.83 3a1v s LEU 21 Ca 0.06 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 3a1v s LEU 21 Cb -0.12 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3a1v s LEU 21 CO 0.02 -0.48 -0.01 0.00 0.23 0.00 0.00 176.35 176.11 3a1v s ALA 22 N 2.11 3.17 0.00 4.21 0.00 -0.43 -1.19 121.76 129.62 3a1v s ALA 22 Ca 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3a1v s ALA 22 Cb -0.17 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.00 3a1v s ALA 22 CO 0.13 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.77 3a1v n GLY 23 N -0.12 1.93 3.53 0.00 0.00 -1.26 -0.91 105.19 108.36 3a1v n GLY 23 Ca -0.10 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 3a1v n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1v s PRO 25 N -4.70 3.06 -1.43 0.00 0.02 -1.26 -4.11 135.00 126.58 3a1v s PRO 25 Ca 0.68 1.30 -0.07 0.00 0.02 0.00 0.00 61.00 62.93 3a1v s PRO 25 Cb -0.22 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.36 3a1v s PRO 25 CO 0.62 -1.03 0.84 0.27 -0.33 0.00 0.00 177.00 177.36 3a1v n ASN 26 N -2.22 -3.05 0.00 2.53 0.23 -1.26 -4.86 115.26 106.62 3a1v n ASN 26 Ca 0.10 -0.80 0.00 0.00 -0.53 0.00 0.00 54.58 53.34 3a1v n ASN 26 Cb 0.52 -3.93 0.00 0.00 -2.08 0.00 0.00 39.78 34.29 3a1v n ASN 26 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 3a1v n VAL 27 N -4.50 0.79 -0.32 3.53 0.24 -1.26 -4.99 118.33 111.82 3a1v n VAL 27 Ca -0.12 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 3a1v n VAL 27 Cb 0.60 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 3a1v n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1v n GLY 28 N -0.39 0.82 0.27 7.63 0.00 -1.26 -4.24 105.19 108.03 3a1v n GLY 28 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 3a1v n GLY 28 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a1v h LYS 29 N 1.63 0.90 -0.29 1.61 3.64 -1.91 -1.14 116.57 121.01 3a1v h LYS 29 Ca 0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3a1v h LYS 29 Cb 0.00 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3a1v h LYS 29 CO 0.00 0.59 -0.15 1.15 -2.27 0.00 0.00 179.45 178.77 3a1v h THR 30 N 0.92 1.30 -0.60 1.00 2.02 -1.97 -1.25 112.91 114.33 3a1v h THR 30 Ca 0.26 -1.25 0.06 0.00 0.77 0.00 0.00 66.41 66.25 3a1v h THR 30 Cb -0.08 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 3a1v h THR 30 CO -0.07 0.40 0.31 0.28 0.37 0.00 0.00 175.52 176.81 3a1v h SER 31 N 0.36 0.44 -0.55 4.18 0.02 -1.93 -0.54 113.55 115.53 3a1v h SER 31 Ca 0.06 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3a1v h SER 31 Cb 0.67 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3a1v h SER 31 CO 0.04 0.29 0.22 0.25 -1.14 0.00 0.00 176.83 176.49 3a1v h LEU 32 N 0.58 0.76 0.09 5.07 5.85 -1.09 0.12 115.31 126.68 3a1v h LEU 32 Ca 0.27 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3a1v h LEU 32 Cb 0.19 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3a1v h LEU 32 CO -0.19 0.72 -0.33 0.15 -0.34 0.00 0.00 178.44 178.45 3a1v h PHE 33 N 0.74 -0.89 -0.85 1.25 3.04 -0.70 -1.38 116.94 118.14 3a1v h PHE 33 Ca 0.18 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.25 3a1v h PHE 33 Cb 0.20 0.38 -0.06 0.00 2.56 0.00 0.00 35.95 39.03 3a1v h PHE 33 CO 0.01 -0.43 0.55 -0.91 -2.02 0.00 0.00 178.31 175.51 3a1v h ASN 34 N -0.53 0.74 0.36 0.41 2.35 -0.87 -2.32 115.58 115.72 3a1v h ASN 34 Ca 0.04 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 3a1v h ASN 34 Cb 0.58 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3a1v h ASN 34 CO -0.21 0.44 -0.53 0.00 -1.65 0.00 0.00 177.43 175.48 3a1v h ALA 35 N 1.57 0.99 0.08 -0.83 0.00 -0.33 0.78 119.26 121.52 3a1v h ALA 35 Ca 0.39 -0.49 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 3a1v h ALA 35 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3a1v h ALA 35 CO -0.16 0.67 -1.26 -0.07 0.00 0.00 0.00 179.25 178.43 3a1v h LEU 36 N 0.14 0.27 0.00 0.00 3.38 -0.85 -3.38 115.31 114.87 3a1v h LEU 36 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3a1v h LEU 36 Cb 0.98 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3a1v h LEU 36 CO 0.08 1.25 -1.54 0.35 0.09 0.00 0.00 178.44 178.67 3a1v n THR 37 N -3.43 0.00 0.00 0.22 -2.24 -0.91 -4.76 114.28 103.16 3a1v n THR 37 Ca -0.08 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3a1v n THR 37 Cb 1.01 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3a1v n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1v n GLY 38 N 1.72 4.29 0.02 3.38 0.00 0.26 -1.64 105.19 113.22 3a1v n GLY 38 Ca -0.02 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3a1v n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a1v n THR 39 N 0.00 0.10 -1.62 2.61 -2.24 -1.26 -4.60 114.28 107.27 3a1v n THR 39 Ca 0.00 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 3a1v n THR 39 Cb 0.00 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 3a1v n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3a1v n LYS 40 N -1.72 2.90 -3.61 -0.78 4.01 -0.65 -4.84 118.16 113.47 3a1v n LYS 40 Ca 0.04 -2.48 -0.11 0.00 -0.51 0.00 0.00 58.31 55.25 3a1v n LYS 40 Cb 0.38 -3.18 -0.04 0.00 -0.51 0.00 0.00 35.03 31.67 3a1v n LYS 40 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 3a1v s GLN 41 N 3.15 1.08 -0.03 1.97 -2.07 -1.26 -1.91 119.66 120.58 3a1v s GLN 41 Ca 0.51 -0.63 0.07 0.00 -1.82 0.00 0.00 55.36 53.49 3a1v s GLN 41 Cb 0.15 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.53 3a1v s GLN 41 CO -0.07 -0.42 -0.24 0.71 -1.32 0.00 0.00 175.29 173.95 3a1v s TYR 42 N -3.62 2.19 -1.16 9.60 4.12 0.64 -4.99 117.35 124.15 3a1v s TYR 42 Ca 0.02 -0.52 -0.08 0.00 0.02 0.00 0.00 57.07 56.51 3a1v s TYR 42 Cb 0.01 -1.43 0.25 0.00 -1.52 0.00 0.00 41.96 39.27 3a1v s TYR 42 CO -0.11 -0.11 1.47 1.33 0.02 0.00 0.00 175.55 178.15 3a1v n VAL 43 N 2.71 4.76 -0.62 0.71 0.24 -1.26 -2.20 118.33 122.66 3a1v n VAL 43 Ca -0.16 -5.27 0.00 0.00 -2.04 0.00 0.00 64.34 56.86 3a1v n VAL 43 Cb 0.52 -2.33 0.00 0.00 -1.47 0.00 0.00 33.84 30.56 3a1v n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a1v n ALA 44 N 2.91 0.00 -2.78 2.33 0.00 -0.14 -4.86 120.51 117.96 3a1v n ALA 44 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.65 3a1v n ALA 44 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 3a1v n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a1v s ASN 45 N -1.00 -0.03 0.13 0.00 2.20 -1.25 -1.36 114.94 113.63 3a1v s ASN 45 Ca 0.00 -0.59 -0.30 0.00 -0.94 0.00 0.00 52.86 51.03 3a1v s ASN 45 Cb 0.00 0.42 -0.06 0.00 -2.00 0.00 0.00 41.25 39.61 3a1v s ASN 45 CO 0.00 -0.83 0.99 0.26 -2.94 0.00 0.00 177.10 174.58 3a1v s TRP 46 N -3.87 3.78 -0.47 1.54 0.52 -1.00 -4.70 118.94 114.75 3a1v s TRP 46 Ca 0.07 1.77 -0.45 0.00 0.02 0.00 0.00 56.10 57.51 3a1v s TRP 46 Cb 0.03 -3.09 -0.19 0.00 -1.15 0.00 0.00 33.47 29.07 3a1v s TRP 46 CO -0.08 0.06 1.76 -2.30 0.02 0.00 0.00 176.95 176.41 3a1v n PRO 47 N 2.67 0.15 -0.16 4.98 -0.02 -1.26 -1.39 135.00 139.98 3a1v n PRO 47 Ca 0.02 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3a1v n PRO 47 Cb 0.48 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3a1v n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1v n GLY 48 N 4.94 1.59 3.45 -1.23 0.00 -1.26 -5.02 105.19 107.66 3a1v n GLY 48 Ca 0.37 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 3a1v n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1v s VAL 49 N -2.77 1.39 -1.41 1.61 -7.23 -0.48 -5.05 120.40 106.45 3a1v s VAL 49 Ca 0.00 -2.04 0.26 0.00 -1.81 0.00 0.00 61.98 58.39 3a1v s VAL 49 Cb 0.00 -2.68 0.14 0.00 0.56 0.00 0.00 36.38 34.40 3a1v s VAL 49 CO 0.00 -0.11 1.48 0.35 -0.31 0.00 0.00 175.10 176.51 3a1v n THR 50 N -0.66 0.00 -1.69 5.32 -2.24 -1.26 -4.31 114.28 109.44 3a1v n THR 50 Ca -0.04 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 3a1v n THR 50 Cb 0.66 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 3a1v n THR 50 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3a1v n VAL 51 N -1.04 0.37 -1.80 2.28 0.31 -1.26 -4.90 118.33 112.28 3a1v n VAL 51 Ca 0.09 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 3a1v n VAL 51 Cb 0.34 -2.08 -0.00 0.00 -0.91 0.00 0.00 33.84 31.19 3a1v n VAL 51 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3a1v s GLU 52 N 2.74 4.08 -0.20 5.55 2.12 -1.26 -2.36 118.70 129.36 3a1v s GLU 52 Ca 0.83 2.56 -0.03 0.00 0.36 0.00 0.00 54.97 58.69 3a1v s GLU 52 Cb -0.51 -2.95 0.06 0.00 0.26 0.00 0.00 34.13 31.00 3a1v s GLU 52 CO 0.38 -0.55 0.03 0.21 -0.54 0.00 0.00 175.26 174.79 3a1v s LYS 53 N -2.12 0.70 -0.20 4.30 2.20 -0.46 -4.70 119.74 119.45 3a1v s LYS 53 Ca 0.53 -0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 55.51 3a1v s LYS 53 Cb -0.46 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 3a1v s LYS 53 CO 0.63 -0.65 0.41 0.15 -0.36 0.00 0.00 175.35 175.53 3a1v s LYS 54 N 1.83 4.17 0.02 4.03 1.02 -1.26 -0.97 119.74 128.58 3a1v s LYS 54 Ca -0.01 0.21 0.06 0.00 0.02 0.00 0.00 55.97 56.26 3a1v s LYS 54 Cb -0.17 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 3a1v s LYS 54 CO -0.08 -0.06 -0.19 -1.21 -0.92 0.00 0.00 175.35 172.89 3a1v s GLU 55 N 1.38 1.37 0.31 1.68 2.02 -0.93 -0.97 118.70 123.57 3a1v s GLU 55 Ca 0.19 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 3a1v s GLU 55 Cb -0.15 -1.41 0.01 0.00 0.10 0.00 0.00 34.13 32.68 3a1v s GLU 55 CO 0.08 0.37 0.44 0.41 0.02 0.00 0.00 175.26 176.59 3a1v n GLY 56 N 2.18 2.18 3.13 -1.39 0.00 0.50 -0.26 105.19 111.53 3a1v n GLY 56 Ca -0.16 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 3a1v n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1v s VAL 57 N -2.75 0.07 0.03 1.61 1.01 -0.80 -0.69 120.40 118.88 3a1v s VAL 57 Ca 0.25 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 3a1v s VAL 57 Cb -0.01 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.95 3a1v s VAL 57 CO 0.18 -0.32 0.38 0.72 0.00 0.00 0.00 175.10 176.06 3a1v s PHE 58 N -1.24 -0.23 -0.06 5.22 -0.12 -0.75 -4.68 117.98 116.12 3a1v s PHE 58 Ca -0.13 0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.97 3a1v s PHE 58 Cb -0.07 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 3a1v s PHE 58 CO 0.02 -0.53 -0.12 0.95 -0.05 0.00 0.00 175.22 175.49 3a1v s THR 59 N -2.27 3.29 -0.16 -4.49 -4.23 -1.26 -0.77 115.64 105.75 3a1v s THR 59 Ca -0.07 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 3a1v s THR 59 Cb -0.01 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.59 3a1v s THR 59 CO -0.01 0.59 0.24 -0.47 -0.54 0.00 0.00 174.62 174.43 3a1v s TYR 60 N -0.70 -0.35 -1.31 3.99 5.04 0.09 -4.91 117.35 119.20 3a1v s TYR 60 Ca 0.11 0.62 -0.00 0.00 -2.44 0.00 0.00 57.07 55.35 3a1v s TYR 60 Cb -0.11 -0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.01 3a1v s TYR 60 CO 0.01 -0.46 0.69 1.63 -1.34 0.00 0.00 175.55 176.08 3a1v n LYS 61 N 5.34 -4.83 -1.26 4.97 4.76 -1.26 -1.51 118.16 124.37 3a1v n LYS 61 Ca -0.05 0.61 -0.09 0.00 -2.87 0.00 0.00 58.31 55.90 3a1v n LYS 61 Cb 0.50 -5.15 -0.04 0.00 -1.84 0.00 0.00 35.03 28.50 3a1v n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a1v n GLY 62 N -1.60 1.06 3.40 0.72 0.00 -1.26 -5.01 105.19 102.50 3a1v n GLY 62 Ca -0.30 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 3a1v n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1v s TYR 63 N -2.29 2.67 -0.24 1.61 1.51 -0.57 -4.71 117.35 115.33 3a1v s TYR 63 Ca 0.00 -0.42 -0.10 0.00 -1.01 0.00 0.00 57.07 55.54 3a1v s TYR 63 Cb 0.00 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 3a1v s TYR 63 CO 0.00 -0.02 0.15 0.99 -1.11 0.00 0.00 175.55 175.56 3a1v s THR 64 N -0.29 5.26 -0.25 -0.71 2.01 0.11 -0.73 115.64 121.04 3a1v s THR 64 Ca 0.02 0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 3a1v s THR 64 Cb -0.13 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.95 3a1v s THR 64 CO 0.03 0.34 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.61 3a1v s ILE 65 N 1.10 2.89 -0.34 1.82 1.09 0.05 -0.70 121.20 127.11 3a1v s ILE 65 Ca 0.07 -1.00 -0.22 0.00 -1.10 0.00 0.00 60.65 58.40 3a1v s ILE 65 Cb -0.14 -2.46 0.00 0.00 -1.06 0.00 0.00 42.46 38.81 3a1v s ILE 65 CO 0.05 0.21 0.74 0.21 -0.10 0.00 0.00 174.94 176.05 3a1v s ASN 66 N 1.33 6.55 -0.22 3.58 2.47 0.41 -1.80 114.94 127.26 3a1v s ASN 66 Ca 0.00 0.39 -0.07 0.00 0.42 0.00 0.00 52.86 53.60 3a1v s ASN 66 Cb -0.16 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.22 3a1v s ASN 66 CO -0.04 -0.65 0.07 -0.22 -3.72 0.00 0.00 177.10 172.53 3a1v s LEU 67 N 2.94 3.61 -0.20 3.21 2.96 0.14 -1.07 118.68 130.27 3a1v s LEU 67 Ca 0.30 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 3a1v s LEU 67 Cb -0.14 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 3a1v s LEU 67 CO 0.15 0.06 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.54 3a1v s ILE 68 N 1.03 3.19 -0.17 6.68 1.09 -0.23 -0.37 121.20 132.42 3a1v s ILE 68 Ca 0.04 -0.57 -0.24 0.00 -1.10 0.00 0.00 60.65 58.78 3a1v s ILE 68 Cb -0.14 -2.42 -0.02 0.00 -1.06 0.00 0.00 42.46 38.82 3a1v s ILE 68 CO 0.03 0.46 0.79 -0.62 -0.10 0.00 0.00 174.94 175.49 3a1v s ASP 69 N 1.21 6.90 0.29 3.58 2.15 -0.14 -0.17 116.67 130.49 3a1v s ASP 69 Ca 0.02 1.10 -0.06 0.00 0.43 0.00 0.00 52.55 54.05 3a1v s ASP 69 Cb -0.14 -2.43 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 3a1v s ASP 69 CO -0.03 -0.36 0.57 -0.76 -0.17 0.00 0.00 175.17 174.42 3a1v s LEU 70 N 2.06 4.05 0.42 -1.34 1.43 -0.34 -4.15 118.68 120.81 3a1v s LEU 70 Ca 0.36 0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 53.97 3a1v s LEU 70 Cb -0.16 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 3a1v s LEU 70 CO 0.12 -0.20 1.17 -2.65 0.23 0.00 0.00 176.35 175.02 3a1v n PRO 71 N -0.91 1.68 -1.88 1.29 -0.02 -1.26 -4.80 135.00 129.10 3a1v n PRO 71 Ca -0.01 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3a1v n PRO 71 Cb 0.54 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3a1v n PRO 71 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a1v s GLY 72 N -0.63 2.08 -0.08 -1.23 0.00 -1.26 -4.69 107.32 101.51 3a1v s GLY 72 Ca 0.62 1.46 -0.04 0.00 0.00 0.00 0.00 44.72 46.76 3a1v s GLY 72 CO 0.57 2.48 0.19 -0.51 0.00 0.00 0.00 173.10 175.83 3a1v s THR 73 N 0.19 -0.04 -0.42 0.90 -4.23 -0.42 -4.59 115.64 107.05 3a1v s THR 73 Ca 0.63 0.14 0.26 0.00 -1.18 0.00 0.00 61.69 61.55 3a1v s THR 73 Cb -0.45 -0.30 0.32 0.00 1.34 0.00 0.00 72.50 73.41 3a1v s THR 73 CO 0.43 0.06 1.75 1.88 -0.54 0.00 0.00 174.62 178.20 3a1v h TYR 74 N 7.04 0.00 -2.64 3.99 0.05 -1.93 -3.17 116.97 120.31 3a1v h TYR 74 Ca -0.40 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.48 3a1v h TYR 74 Cb 1.15 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.80 3a1v h TYR 74 CO 0.40 0.00 0.36 0.45 -1.05 0.00 0.00 178.16 178.32 3a1v s SER 75 N -5.39 -0.30 -0.76 3.88 0.15 -1.26 -4.64 113.70 105.38 3a1v s SER 75 Ca 0.06 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.41 3a1v s SER 75 Cb 0.08 0.56 0.28 0.00 -1.71 0.00 0.00 66.02 65.24 3a1v s SER 75 CO 0.59 -1.00 1.03 0.18 1.20 0.00 0.00 173.24 175.24 3a1v n LEU 76 N -0.42 4.77 0.00 3.45 4.77 -1.26 -4.82 117.00 123.50 3a1v n LEU 76 Ca -0.08 -5.43 0.00 0.00 -0.03 0.00 0.00 56.01 50.48 3a1v n LEU 76 Cb 0.61 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3a1v n LEU 76 CO 0.13 2.02 0.00 0.61 -1.33 0.00 0.00 177.39 178.82 3a1v n GLY 77 N 0.72 1.07 2.66 -0.72 0.00 -1.26 -5.02 105.19 102.65 3a1v n GLY 77 Ca 0.30 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 3a1v n GLY 77 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3a1v n TYR 78 N 0.00 -1.25 0.01 1.61 9.36 -1.26 -4.38 117.16 121.25 3a1v n TYR 78 Ca 0.00 -2.31 0.00 0.00 3.32 0.00 0.00 57.90 58.91 3a1v n TYR 78 Cb 0.00 0.89 0.00 0.00 -0.63 0.00 0.00 39.34 39.60 3a1v n TYR 78 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3a1v n SER 79 N -0.29 0.10 -4.80 2.98 7.64 -1.26 -4.72 113.62 113.26 3a1v n SER 79 Ca 0.03 0.02 -0.34 0.00 1.01 0.00 0.00 58.87 59.59 3a1v n SER 79 Cb 0.82 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.92 3a1v n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3a1v s SER 80 N -5.09 7.03 0.27 6.43 1.04 -1.26 -4.93 113.70 117.19 3a1v s SER 80 Ca 0.00 1.76 -0.04 0.00 0.48 0.00 0.00 55.95 58.16 3a1v s SER 80 Cb 0.00 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.93 3a1v s SER 80 CO 0.00 -0.29 1.93 -0.29 0.98 0.00 0.00 173.24 175.57 3a1v h ILE 81 N 2.13 1.20 0.04 -1.02 6.09 -1.99 -1.30 117.51 122.67 3a1v h ILE 81 Ca -0.48 -0.42 -0.00 0.00 -1.37 0.00 0.00 64.86 62.58 3a1v h ILE 81 Cb 1.19 -0.14 0.00 0.00 0.47 0.00 0.00 36.82 38.34 3a1v h ILE 81 CO 0.62 0.23 -0.02 0.44 -3.07 0.00 0.00 178.15 176.35 3a1v h ASP 82 N 1.23 -0.05 -0.48 2.19 3.32 -1.93 -0.77 116.42 119.93 3a1v h ASP 82 Ca 0.36 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 3a1v h ASP 82 Cb -0.07 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3a1v h ASP 82 CO -0.09 -0.01 0.10 -0.33 -1.72 0.00 0.00 179.24 177.18 3a1v h GLU 83 N -0.09 0.79 -0.63 3.56 5.08 -1.80 -0.18 114.58 121.32 3a1v h GLU 83 Ca -0.01 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3a1v h GLU 83 Cb 0.07 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3a1v h GLU 83 CO 0.01 0.78 0.35 0.87 -1.00 0.00 0.00 179.01 180.02 3a1v h LYS 84 N 0.67 0.88 0.22 2.33 1.57 -1.18 0.83 116.57 121.89 3a1v h LYS 84 Ca 0.15 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3a1v h LYS 84 Cb 0.36 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3a1v h LYS 84 CO 0.01 0.66 -0.10 0.82 -0.57 0.00 0.00 179.45 180.26 3a1v h ILE 85 N 0.86 0.85 -0.35 1.86 2.04 -0.93 0.24 117.51 122.08 3a1v h ILE 85 Ca 0.22 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3a1v h ILE 85 Cb 0.03 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3a1v h ILE 85 CO -0.04 0.09 0.15 0.00 0.00 0.00 0.00 178.15 178.36 3a1v h ALA 86 N 0.23 0.42 -0.36 1.87 0.00 -0.87 -1.77 119.26 118.78 3a1v h ALA 86 Ca -0.03 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3a1v h ALA 86 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3a1v h ALA 86 CO 0.05 -0.23 -0.33 -0.09 0.00 0.00 0.00 179.25 178.65 3a1v h ARG 87 N 0.32 0.80 -0.45 0.00 2.43 -0.85 -2.09 114.38 114.54 3a1v h ARG 87 Ca 0.15 -0.38 0.04 0.00 -0.81 0.00 0.00 59.98 58.98 3a1v h ARG 87 Cb 0.09 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3a1v h ARG 87 CO -0.13 1.01 0.21 -0.44 -1.51 0.00 0.00 179.97 179.12 3a1v h ASP 88 N 0.67 0.29 -0.68 -3.80 3.32 -0.66 0.13 116.42 115.69 3a1v h ASP 88 Ca 0.07 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3a1v h ASP 88 Cb 0.88 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 3a1v h ASP 88 CO 0.08 0.21 0.18 0.22 -1.72 0.00 0.00 179.24 178.21 3a1v h TYR 89 N 0.43 1.13 -0.40 4.55 3.20 -1.16 0.66 116.97 125.37 3a1v h TYR 89 Ca 0.20 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3a1v h TYR 89 Cb 0.13 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3a1v h TYR 89 CO -0.11 0.92 0.06 -0.07 -1.64 0.00 0.00 178.16 177.31 3a1v h LEU 90 N 1.01 0.64 0.08 2.82 3.38 -0.94 -0.38 115.31 121.92 3a1v h LEU 90 Ca 0.22 -0.26 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 3a1v h LEU 90 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3a1v h LEU 90 CO -0.00 0.74 -1.04 -0.07 0.09 0.00 0.00 178.44 178.16 3a1v h LEU 91 N 0.51 0.26 -3.04 1.67 3.38 -0.66 -3.38 115.31 114.05 3a1v h LEU 91 Ca 0.12 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3a1v h LEU 91 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3a1v h LEU 91 CO 0.01 1.45 0.00 0.29 0.09 0.00 0.00 178.44 180.28 3a1v n LYS 92 N -4.17 3.15 0.00 1.13 5.02 0.23 -4.99 118.16 118.54 3a1v n LYS 92 Ca -0.22 -2.55 0.00 0.00 -2.02 0.00 0.00 58.31 53.53 3a1v n LYS 92 Cb 0.78 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3a1v n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1v n GLY 93 N 0.57 1.83 0.00 0.72 0.00 -0.15 -4.90 105.19 103.26 3a1v n GLY 93 Ca 0.19 -2.02 0.04 0.00 0.00 0.00 0.00 46.02 44.23 3a1v n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1v n ASP 94 N 0.00 1.52 -4.72 1.61 4.64 -1.26 -5.01 116.55 113.34 3a1v n ASP 94 Ca 0.00 -0.40 -0.42 0.00 -1.38 0.00 0.00 54.79 52.59 3a1v n ASP 94 Cb 0.00 1.14 -0.00 0.00 -1.04 0.00 0.00 41.12 41.21 3a1v n ASP 94 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3a1v n ALA 95 N -1.40 1.58 0.02 -1.67 0.00 -1.26 -4.88 120.51 112.90 3a1v n ALA 95 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 3a1v n ALA 95 Cb 0.14 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.16 3a1v n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a1v h ASP 96 N 2.62 0.06 -5.06 0.00 3.32 -0.21 -3.48 116.42 113.67 3a1v h ASP 96 Ca -0.47 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.50 3a1v h ASP 96 Cb 1.27 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 3a1v h ASP 96 CO 0.63 1.08 0.12 -1.48 -1.72 0.00 0.00 179.24 177.86 3a1v s LEU 97 N -6.47 -0.12 -0.05 1.55 0.05 -1.13 -4.64 118.68 107.86 3a1v s LEU 97 Ca -0.03 -0.53 0.05 0.00 0.05 0.00 0.00 54.13 53.66 3a1v s LEU 97 Cb 0.09 2.40 -0.02 0.00 -2.05 0.00 0.00 46.19 46.60 3a1v s LEU 97 CO 0.83 -1.18 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.58 3a1v s VAL 98 N -3.90 2.70 -0.34 1.48 1.01 0.16 -2.07 120.40 119.45 3a1v s VAL 98 Ca 0.11 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 3a1v s VAL 98 Cb -0.03 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.33 3a1v s VAL 98 CO 0.01 0.58 0.17 -0.63 0.00 0.00 0.00 175.10 175.23 3a1v s ILE 99 N -0.52 4.47 -0.47 2.22 1.01 0.15 -0.84 121.20 127.23 3a1v s ILE 99 Ca 0.07 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.74 3a1v s ILE 99 Cb -0.11 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.97 3a1v s ILE 99 CO 0.01 -0.10 0.96 -0.22 0.00 0.00 0.00 174.94 175.59 3a1v s LEU 100 N 1.56 3.95 -0.26 2.97 1.98 0.02 -1.32 118.68 127.59 3a1v s LEU 100 Ca 0.03 0.15 -0.23 0.00 -2.89 0.00 0.00 54.13 51.19 3a1v s LEU 100 Cb -0.18 -3.24 -0.01 0.00 0.66 0.00 0.00 46.19 43.42 3a1v s LEU 100 CO 0.06 -1.09 0.76 -0.69 -1.89 0.00 0.00 176.35 173.49 3a1v s VAL 101 N 3.88 4.87 0.00 1.68 1.01 -0.09 -1.33 120.40 130.42 3a1v s VAL 101 Ca 0.39 1.35 0.06 0.00 0.00 0.00 0.00 61.98 63.78 3a1v s VAL 101 Cb -0.10 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3a1v s VAL 101 CO 0.27 -0.08 -0.18 0.00 0.00 0.00 0.00 175.10 175.11 3a1v s ALA 102 N 2.76 2.54 -0.37 5.51 0.00 -0.25 -4.47 121.76 127.48 3a1v s ALA 102 Ca 0.32 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3a1v s ALA 102 Cb -0.15 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.21 3a1v s ALA 102 CO 0.09 0.56 1.20 0.34 0.00 0.00 0.00 175.76 177.94 3a1v s ASP 103 N -1.07 6.71 0.52 0.00 2.15 -1.26 -1.17 116.67 122.55 3a1v s ASP 103 Ca 0.13 0.92 0.31 0.00 0.43 0.00 0.00 52.55 54.33 3a1v s ASP 103 Cb -0.10 -2.54 1.26 0.00 -0.30 0.00 0.00 42.92 41.23 3a1v s ASP 103 CO 0.03 -1.10 1.95 0.77 -0.17 0.00 0.00 175.17 176.65 3a1v h SER 104 N 9.03 0.00 0.22 -0.34 4.64 -1.79 -2.22 113.55 123.08 3a1v h SER 104 Ca -0.24 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.77 3a1v h SER 104 Cb 1.08 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.19 3a1v h SER 104 CO 1.06 0.07 -1.46 0.58 -0.87 0.00 0.00 176.83 176.22 3a1v h VAL 105 N 0.00 1.21 -2.84 0.95 2.07 -1.85 -3.40 116.25 112.38 3a1v h VAL 105 Ca -0.00 -2.61 -0.61 0.00 0.82 0.00 0.00 66.70 64.30 3a1v h VAL 105 Cb 0.56 2.98 -0.40 0.00 -1.52 0.00 0.00 31.29 32.91 3a1v h VAL 105 CO 0.01 0.80 -0.73 0.20 0.02 0.00 0.00 177.57 177.88 3a1v s ASN 106 N -7.40 3.56 0.25 0.57 0.01 -1.13 -4.98 114.94 105.82 3a1v s ASN 106 Ca -0.12 -3.44 0.24 0.00 -0.71 0.00 0.00 52.86 48.83 3a1v s ASN 106 Cb 0.04 -1.17 0.34 0.00 0.41 0.00 0.00 41.25 40.87 3a1v s ASN 106 CO 0.90 -0.14 1.42 1.55 -1.51 0.00 0.00 177.10 179.32 3a1v h PRO 107 N 5.65 0.00 -0.51 -0.60 0.13 -1.63 -3.40 132.00 131.63 3a1v h PRO 107 Ca 0.16 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.37 3a1v h PRO 107 Cb 0.83 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.86 3a1v h PRO 107 CO 0.58 0.00 -0.44 0.93 -0.23 0.00 0.00 178.00 178.83 3a1v h GLU 108 N 0.00 -0.26 -0.19 0.86 3.07 -1.94 0.37 114.58 116.49 3a1v h GLU 108 Ca 0.00 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 3a1v h GLU 108 Cb 0.88 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 3a1v h GLU 108 CO 0.00 -0.17 -0.16 1.96 -1.40 0.00 0.00 179.01 179.23 3a1v h GLN 109 N -0.27 0.32 -0.26 2.33 4.20 -1.97 -1.75 115.11 117.70 3a1v h GLN 109 Ca 0.16 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 3a1v h GLN 109 Cb 0.57 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3a1v h GLN 109 CO -0.65 0.48 -0.18 0.77 -0.67 0.00 0.00 178.83 178.58 3a1v h SER 110 N 0.29 0.60 -0.18 1.46 0.02 -1.46 -2.69 113.55 111.60 3a1v h SER 110 Ca 0.06 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 3a1v h SER 110 Cb 0.47 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3a1v h SER 110 CO 0.03 0.91 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.48 3a1v h LEU 111 N 0.29 0.51 -0.47 5.07 3.38 -0.68 -0.02 115.31 123.40 3a1v h LEU 111 Ca 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3a1v h LEU 111 Cb 0.72 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3a1v h LEU 111 CO 0.05 0.65 0.30 0.22 0.09 0.00 0.00 178.44 179.75 3a1v h TYR 112 N 0.50 0.60 -0.77 1.13 5.03 -1.29 -1.93 116.97 120.23 3a1v h TYR 112 Ca 0.10 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 3a1v h TYR 112 Cb 0.46 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.50 3a1v h TYR 112 CO 0.02 0.39 0.36 1.25 -1.32 0.00 0.00 178.16 178.85 3a1v h LEU 113 N 0.63 1.02 -0.67 2.82 5.85 -1.07 -2.84 115.31 121.05 3a1v h LEU 113 Ca 0.17 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3a1v h LEU 113 Cb -0.06 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.64 3a1v h LEU 113 CO -0.04 0.88 0.32 0.25 -0.34 0.00 0.00 178.44 179.51 3a1v h LEU 114 N 1.09 0.41 -0.93 2.25 5.85 -0.50 -2.30 115.31 121.19 3a1v h LEU 114 Ca 0.26 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.06 3a1v h LEU 114 Cb 0.14 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3a1v h LEU 114 CO -0.03 0.24 0.61 -0.07 -0.34 0.00 0.00 178.44 178.85 3a1v h LEU 115 N 0.56 1.05 -0.92 2.25 3.38 -1.12 -0.36 115.31 120.15 3a1v h LEU 115 Ca 0.33 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.30 3a1v h LEU 115 Cb 0.33 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3a1v h LEU 115 CO -0.26 0.75 0.60 -0.33 0.09 0.00 0.00 178.44 179.29 3a1v h GLU 116 N 1.23 1.17 -0.05 1.13 5.08 -1.38 -1.41 114.58 120.34 3a1v h GLU 116 Ca 0.35 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.44 3a1v h GLU 116 Cb -0.11 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.88 3a1v h GLU 116 CO -0.09 0.77 -0.80 0.82 -1.00 0.00 0.00 179.01 178.72 3a1v h ILE 117 N 1.20 1.39 -0.51 3.13 2.04 -1.15 -2.93 117.51 120.68 3a1v h ILE 117 Ca 0.35 -2.26 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 3a1v h ILE 117 Cb -0.07 2.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3a1v h ILE 117 CO -0.10 0.68 0.21 -0.07 0.00 0.00 0.00 178.15 178.87 3a1v h LEU 118 N 0.25 0.67 -0.77 1.44 3.38 -0.67 -1.29 115.31 118.31 3a1v h LEU 118 Ca -0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3a1v h LEU 118 Cb 1.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3a1v h LEU 118 CO 0.14 0.60 0.00 -0.33 0.09 0.00 0.00 178.44 178.94 3a1v h GLU 119 N 0.73 0.00 0.00 1.13 5.08 -1.09 -0.84 114.58 119.59 3a1v h GLU 119 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3a1v h GLU 119 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3a1v h GLU 119 CO -0.02 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.66 3a1v n MET 120 N -2.34 0.10 -3.56 2.33 2.81 -0.49 -4.44 117.12 111.52 3a1v n MET 120 Ca 0.02 0.10 -0.22 0.00 -1.81 0.00 0.00 57.70 55.79 3a1v n MET 120 Cb 0.24 -1.62 0.08 0.00 -0.71 0.00 0.00 33.22 31.22 3a1v n MET 120 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3a1v n GLU 121 N -1.79 -7.58 -3.50 0.03 1.02 -0.32 -4.75 120.64 103.76 3a1v n GLU 121 Ca 0.06 0.83 -0.26 0.00 -0.02 0.00 0.00 57.16 57.77 3a1v n GLU 121 Cb 0.36 -5.87 -0.02 0.00 -0.02 0.00 0.00 31.44 25.89 3a1v n GLU 121 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3a1v s LYS 122 N -6.08 3.54 -0.07 3.49 -0.14 -1.25 -5.05 119.74 114.17 3a1v s LYS 122 Ca 0.44 -0.26 -0.30 0.00 -1.36 0.00 0.00 55.97 54.49 3a1v s LYS 122 Cb -0.19 -2.73 -0.05 0.00 -1.68 0.00 0.00 37.83 33.18 3a1v s LYS 122 CO 0.73 0.26 1.55 0.15 -0.76 0.00 0.00 175.35 177.28 3a1v s LYS 123 N -3.75 4.20 0.00 1.68 1.02 -1.26 -4.86 119.74 116.78 3a1v s LYS 123 Ca 0.40 2.06 0.06 0.00 0.02 0.00 0.00 55.97 58.51 3a1v s LYS 123 Cb -0.10 -3.90 -0.02 0.00 -0.52 0.00 0.00 37.83 33.29 3a1v s LYS 123 CO 0.32 -0.79 -0.18 0.08 -0.92 0.00 0.00 175.35 173.86 3a1v s VAL 124 N 3.76 1.42 -0.08 3.17 1.01 -1.26 0.39 120.40 128.81 3a1v s VAL 124 Ca 0.68 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3a1v s VAL 124 Cb -0.31 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3a1v s VAL 124 CO 0.26 0.32 -0.23 -0.63 0.00 0.00 0.00 175.10 174.82 3a1v s ILE 125 N -0.54 2.19 -0.36 2.22 1.01 -0.02 -4.33 121.20 121.38 3a1v s ILE 125 Ca 0.06 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 3a1v s ILE 125 Cb -0.07 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.57 3a1v s ILE 125 CO 0.00 0.56 0.57 -0.22 0.00 0.00 0.00 174.94 175.85 3a1v s LEU 126 N 0.09 4.32 -0.44 2.97 2.96 -0.51 -0.80 118.68 127.28 3a1v s LEU 126 Ca -0.11 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.69 3a1v s LEU 126 Cb -0.16 -2.67 0.06 0.00 0.50 0.00 0.00 46.19 43.93 3a1v s LEU 126 CO 0.06 -0.54 0.33 0.00 -1.32 0.00 0.00 176.35 174.88 3a1v s ALA 127 N 2.53 3.45 -0.58 5.97 0.00 -0.45 -0.70 121.76 131.99 3a1v s ALA 127 Ca 0.21 -2.02 -0.28 0.00 0.00 0.00 0.00 51.96 49.87 3a1v s ALA 127 Cb -0.15 -2.88 0.03 0.00 0.00 0.00 0.00 23.12 20.12 3a1v s ALA 127 CO 0.14 -1.63 1.15 -1.64 0.00 0.00 0.00 175.76 173.78 3a1v s MET 128 N 1.58 3.48 0.58 0.00 1.00 0.38 -1.09 119.30 125.23 3a1v s MET 128 Ca 0.04 0.16 0.09 0.00 0.00 0.00 0.00 55.69 55.98 3a1v s MET 128 Cb -0.23 -4.02 0.09 0.00 0.00 0.00 0.00 34.83 30.67 3a1v s MET 128 CO 0.06 -1.65 0.76 -0.08 0.00 0.00 0.00 175.02 174.11 3a1v s THR 129 N 4.80 2.06 -1.46 2.05 -1.32 -0.31 -0.45 115.64 121.00 3a1v s THR 129 Ca 0.41 -1.05 -0.09 0.00 -1.21 0.00 0.00 61.69 59.75 3a1v s THR 129 Cb -0.08 -2.11 0.04 0.00 -1.51 0.00 0.00 72.50 68.84 3a1v s THR 129 CO 0.24 0.00 0.78 0.00 -2.21 0.00 0.00 174.62 173.44 3a1v n ALA 130 N -2.21 -1.13 0.27 11.08 0.00 -1.00 -2.59 120.51 124.92 3a1v n ALA 130 Ca 0.14 0.24 0.15 0.00 0.00 0.00 0.00 53.44 53.98 3a1v n ALA 130 Cb 0.62 -4.11 0.69 0.00 0.00 0.00 0.00 19.45 16.65 3a1v n ALA 130 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a1v h ILE 131 N -1.71 0.21 -0.03 0.00 6.09 -1.65 -2.08 117.51 118.33 3a1v h ILE 131 Ca -0.53 -0.61 -0.11 0.00 -1.37 0.00 0.00 64.86 62.24 3a1v h ILE 131 Cb 1.35 1.50 -0.01 0.00 0.47 0.00 0.00 36.82 40.13 3a1v h ILE 131 CO 0.59 0.07 -0.50 -2.24 -3.07 0.00 0.00 178.15 172.99 3a1v h ASP 132 N 0.00 0.09 0.09 2.19 2.03 -1.89 -0.25 116.42 118.68 3a1v h ASP 132 Ca -0.00 -0.04 -0.20 0.00 -0.73 0.00 0.00 57.03 56.05 3a1v h ASP 132 Cb 0.50 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 3a1v h ASP 132 CO 0.01 0.58 -0.76 -0.33 -1.03 0.00 0.00 179.24 177.72 3a1v h GLU 133 N 0.07 0.57 -0.59 4.15 5.08 -1.76 -1.91 114.58 120.19 3a1v h GLU 133 Ca -0.00 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 3a1v h GLU 133 Cb 0.91 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3a1v h GLU 133 CO 0.07 1.09 0.10 0.00 -1.00 0.00 0.00 179.01 179.27 3a1v h ALA 134 N 0.77 0.79 -0.59 3.43 0.00 -1.28 -1.79 119.26 120.60 3a1v h ALA 134 Ca -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3a1v h ALA 134 Cb 1.35 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3a1v h ALA 134 CO 0.14 0.54 0.33 0.87 0.00 0.00 0.00 179.25 181.13 3a1v h LYS 135 N 0.88 0.82 -0.17 0.00 1.57 -0.96 -1.54 116.57 117.17 3a1v h LYS 135 Ca 0.18 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3a1v h LYS 135 Cb 0.42 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3a1v h LYS 135 CO 0.01 0.62 -0.40 0.87 -0.57 0.00 0.00 179.45 179.98 3a1v h LYS 136 N 0.79 0.39 -0.00 3.15 1.57 -1.16 -2.45 116.57 118.86 3a1v h LYS 136 Ca 0.21 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3a1v h LYS 136 Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3a1v h LYS 136 CO -0.03 0.73 0.00 0.25 -0.57 0.00 0.00 179.45 179.82 3a1v n THR 137 N -4.03 0.00 -0.98 -0.16 -2.24 -0.69 -4.87 114.28 101.32 3a1v n THR 137 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3a1v n THR 137 Cb 0.49 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 3a1v n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1v n GLY 138 N 0.89 0.41 3.77 3.38 0.00 -0.92 -5.03 105.19 107.69 3a1v n GLY 138 Ca 0.18 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 3a1v n GLY 138 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a1v s MET 139 N -1.72 2.72 -0.26 1.61 -1.94 -0.59 -5.04 119.30 114.07 3a1v s MET 139 Ca 0.00 1.31 0.00 0.00 -1.71 0.00 0.00 55.69 55.29 3a1v s MET 139 Cb 0.00 -1.95 0.08 0.00 2.01 0.00 0.00 34.83 34.97 3a1v s MET 139 CO 0.00 -1.30 0.01 -1.59 -0.01 0.00 0.00 175.02 172.13 3a1v s LYS 140 N -4.31 1.20 -0.18 2.03 0.00 -1.26 -4.73 119.74 112.48 3a1v s LYS 140 Ca 0.65 -1.02 -0.02 0.00 0.00 0.00 0.00 55.97 55.58 3a1v s LYS 140 Cb -0.19 -2.43 -0.01 0.00 0.00 0.00 0.00 37.83 35.21 3a1v s LYS 140 CO 0.45 -0.75 -0.10 0.42 0.00 0.00 0.00 175.35 175.37 3a1v s ILE 141 N 1.47 3.03 -0.61 3.79 1.01 -1.26 -1.13 121.20 127.50 3a1v s ILE 141 Ca 0.01 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 3a1v s ILE 141 Cb -0.18 -2.33 0.11 0.00 0.01 0.00 0.00 42.46 40.07 3a1v s ILE 141 CO -0.12 0.48 0.72 -0.62 0.00 0.00 0.00 174.94 175.40 3a1v s ASP 142 N 1.09 6.22 0.49 3.58 -1.08 -0.01 -4.91 116.67 122.05 3a1v s ASP 142 Ca 0.00 -1.51 0.15 0.00 -0.52 0.00 0.00 52.55 50.67 3a1v s ASP 142 Cb -0.15 -2.30 1.17 0.00 -1.46 0.00 0.00 42.92 40.19 3a1v s ASP 142 CO -0.02 -1.09 2.10 -0.09 0.52 0.00 0.00 175.17 176.58 3a1v h ARG 143 N 9.12 0.15 0.05 4.34 2.43 -1.96 -1.59 114.38 126.92 3a1v h ARG 143 Ca -0.26 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.67 3a1v h ARG 143 Cb 1.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3a1v h ARG 143 CO 1.09 0.10 -1.05 1.88 -1.51 0.00 0.00 179.97 180.48 3a1v h TYR 144 N 0.16 0.23 -0.23 2.20 0.05 -1.94 -2.46 116.97 114.98 3a1v h TYR 144 Ca 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3a1v h TYR 144 Cb 0.16 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3a1v h TYR 144 CO -0.00 1.09 0.10 1.49 -1.05 0.00 0.00 178.16 179.79 3a1v h GLU 145 N 0.05 0.33 -0.21 4.88 4.57 -1.80 -2.26 114.58 120.14 3a1v h GLU 145 Ca -0.06 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3a1v h GLU 145 Cb 1.77 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 30.26 3a1v h GLU 145 CO 0.16 0.35 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.21 3a1v h LEU 146 N 0.23 -0.21 -0.89 1.64 3.38 -1.28 -1.45 115.31 116.72 3a1v h LEU 146 Ca 0.08 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3a1v h LEU 146 Cb 0.13 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3a1v h LEU 146 CO -0.01 -0.08 0.55 1.56 0.09 0.00 0.00 178.44 180.55 3a1v h GLN 147 N -0.01 0.93 -0.48 1.13 4.20 -1.40 0.15 115.11 119.63 3a1v h GLN 147 Ca 0.10 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3a1v h GLN 147 Cb 0.16 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3a1v h GLN 147 CO -0.22 0.61 0.15 0.87 -0.67 0.00 0.00 178.83 179.57 3a1v h LYS 148 N 0.95 0.75 0.00 1.46 6.56 -0.81 0.23 116.57 125.72 3a1v h LYS 148 Ca 0.41 -0.16 -0.00 0.00 -1.06 0.00 0.00 60.65 59.84 3a1v h LYS 148 Cb 0.28 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 3a1v h LYS 148 CO -0.21 0.71 -0.00 0.45 -2.06 0.00 0.00 179.45 178.33 3a1v h HIS 149 N 0.64 -0.00 0.00 -1.35 3.86 -0.72 -3.35 115.15 114.23 3a1v h HIS 149 Ca 0.16 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 3a1v h HIS 149 Cb 0.27 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3a1v h HIS 149 CO 0.01 0.43 -0.89 -0.07 0.86 0.00 0.00 177.93 178.27 3a1v h LEU 150 N -0.44 0.00 0.11 2.43 3.38 -0.71 -3.48 115.31 116.60 3a1v h LEU 150 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3a1v h LEU 150 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3a1v h LEU 150 CO 0.00 0.32 -0.04 0.61 0.09 0.00 0.00 178.44 179.42 3a1v n GLY 151 N 1.26 0.58 3.29 0.83 0.00 0.80 -4.99 105.19 106.95 3a1v n GLY 151 Ca -0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3a1v n GLY 151 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1v s ILE 152 N -2.01 1.26 0.38 -0.61 -4.36 -1.25 -4.82 121.20 109.79 3a1v s ILE 152 Ca 0.00 -2.08 -0.27 0.00 -0.26 0.00 0.00 60.65 58.03 3a1v s ILE 152 Cb 0.00 -2.01 -0.10 0.00 1.25 0.00 0.00 42.46 41.60 3a1v s ILE 152 CO 0.00 -0.61 1.39 -2.84 0.24 0.00 0.00 174.94 173.12 3a1v s PRO 153 N -3.75 4.06 -0.07 0.37 0.02 -1.26 -4.47 135.00 129.90 3a1v s PRO 153 Ca 0.21 2.37 0.03 0.00 0.02 0.00 0.00 61.00 63.63 3a1v s PRO 153 Cb 0.03 -2.89 0.01 0.00 0.02 0.00 0.00 34.50 31.66 3a1v s PRO 153 CO 0.04 -0.49 -0.14 0.08 -0.33 0.00 0.00 177.00 176.16 3a1v s VAL 154 N -1.17 1.27 -0.04 3.83 1.01 -1.26 -1.43 120.40 122.61 3a1v s VAL 154 Ca 0.54 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3a1v s VAL 154 Cb -0.43 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 3a1v s VAL 154 CO 0.56 0.38 -0.17 -0.69 0.00 0.00 0.00 175.10 175.19 3a1v s VAL 155 N 0.59 1.38 -0.05 2.92 1.01 0.12 -5.00 120.40 121.38 3a1v s VAL 155 Ca -0.15 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 3a1v s VAL 155 Cb -0.16 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3a1v s VAL 155 CO 0.04 0.40 0.63 -0.36 0.00 0.00 0.00 175.10 175.82 3a1v s PHE 156 N 0.05 3.60 0.10 5.22 0.08 -1.26 -0.47 117.98 125.30 3a1v s PHE 156 Ca -0.04 1.18 0.01 0.00 0.12 0.00 0.00 56.93 58.21 3a1v s PHE 156 Cb -0.11 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 3a1v s PHE 156 CO 0.02 0.18 -0.05 0.95 -0.10 0.00 0.00 175.22 176.22 3a1v s THR 157 N 0.47 0.60 -0.11 0.64 -4.23 0.40 -3.91 115.64 109.50 3a1v s THR 157 Ca 0.34 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 3a1v s THR 157 Cb -0.17 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.00 3a1v s THR 157 CO 0.17 -0.83 0.23 -0.55 -0.54 0.00 0.00 174.62 173.09 3a1v s SER 158 N -3.04 0.41 0.48 3.99 0.15 -0.28 -2.15 113.70 113.25 3a1v s SER 158 Ca 0.13 0.50 0.28 0.00 0.70 0.00 0.00 55.95 57.56 3a1v s SER 158 Cb 0.06 0.53 0.95 0.00 -1.71 0.00 0.00 66.02 65.85 3a1v s SER 158 CO -0.04 -0.23 1.83 0.28 1.20 0.00 0.00 173.24 176.27 3a1v h SER 159 N 8.19 0.00 0.09 5.45 0.02 -1.90 -0.09 113.55 125.31 3a1v h SER 159 Ca -0.17 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.65 3a1v h SER 159 Cb 1.12 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.67 3a1v h SER 159 CO 0.16 0.09 -0.58 0.58 -1.14 0.00 0.00 176.83 175.95 3a1v h VAL 160 N 0.00 1.57 0.00 2.27 2.07 -1.95 -3.38 116.25 116.83 3a1v h VAL 160 Ca -0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3a1v h VAL 160 Cb 0.73 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 3a1v h VAL 160 CO 0.01 0.67 -1.65 0.35 0.02 0.00 0.00 177.57 176.98 3a1v n THR 161 N -4.26 0.02 -0.69 2.57 -2.24 -1.24 -4.98 114.28 103.47 3a1v n THR 161 Ca -0.12 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3a1v n THR 161 Cb 0.71 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3a1v n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1v n GLY 162 N 1.33 0.81 3.77 3.38 0.00 -0.05 -5.03 105.19 109.39 3a1v n GLY 162 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3a1v n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a1v s GLU 163 N -0.31 3.87 0.00 1.61 2.12 -1.20 -3.07 118.70 121.71 3a1v s GLU 163 Ca 0.00 2.25 0.00 0.00 0.36 0.00 0.00 54.97 57.58 3a1v s GLU 163 Cb 0.00 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.67 3a1v s GLU 163 CO 0.00 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 3a1v n GLY 164 N 0.63 2.13 0.26 -1.50 0.00 -1.25 -1.13 105.19 104.32 3a1v n GLY 164 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 3a1v n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a1v h LEU 165 N 0.00 -0.50 -1.11 0.99 3.38 -1.81 0.11 115.31 116.37 3a1v h LEU 165 Ca 0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3a1v h LEU 165 Cb 0.00 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3a1v h LEU 165 CO 0.00 -0.32 -0.33 -0.33 0.09 0.00 0.00 178.44 177.55 3a1v h GLU 166 N -0.64 0.20 -0.61 1.13 4.39 -1.89 -1.89 114.58 115.27 3a1v h GLU 166 Ca -0.06 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 3a1v h GLU 166 Cb 0.48 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 3a1v h GLU 166 CO 0.10 0.51 0.09 0.93 -1.16 0.00 0.00 179.01 179.49 3a1v h GLU 167 N 0.17 1.00 -0.38 2.33 3.07 -1.90 -0.32 114.58 118.55 3a1v h GLU 167 Ca 0.02 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.59 3a1v h GLU 167 Cb 0.68 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 3a1v h GLU 167 CO 0.05 0.92 0.09 1.25 -1.40 0.00 0.00 179.01 179.92 3a1v h LEU 168 N 0.94 0.58 -1.08 1.33 5.85 -0.32 -0.52 115.31 122.09 3a1v h LEU 168 Ca 0.19 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3a1v h LEU 168 Cb 0.42 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3a1v h LEU 168 CO 0.01 0.67 0.62 0.11 -0.34 0.00 0.00 178.44 179.51 3a1v h LYS 169 N 0.47 1.18 -0.15 1.25 1.57 -1.17 0.36 116.57 120.07 3a1v h LYS 169 Ca 0.12 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3a1v h LYS 169 Cb 0.32 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3a1v h LYS 169 CO 0.00 0.78 0.06 1.49 -0.57 0.00 0.00 179.45 181.22 3a1v h GLU 170 N 1.21 0.14 -0.37 3.15 4.57 -0.56 -2.43 114.58 120.29 3a1v h GLU 170 Ca 0.37 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.47 3a1v h GLU 170 Cb -0.04 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3a1v h GLU 170 CO -0.10 0.09 -0.06 0.87 -1.18 0.00 0.00 179.01 178.63 3a1v h LYS 171 N 0.15 0.61 0.58 1.92 1.79 -0.42 -1.29 116.57 119.91 3a1v h LYS 171 Ca 0.06 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 3a1v h LYS 171 Cb 0.02 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3a1v h LYS 171 CO -0.05 0.67 -0.32 0.82 -1.08 0.00 0.00 179.45 179.49 3a1v h ILE 172 N 0.57 0.34 -0.56 1.86 2.04 -0.64 0.28 117.51 121.39 3a1v h ILE 172 Ca 0.11 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 3a1v h ILE 172 Cb 0.45 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3a1v h ILE 172 CO 0.02 0.00 0.05 -0.37 0.00 0.00 0.00 178.15 177.85 3a1v h VAL 173 N -0.85 1.26 0.26 1.67 -1.51 -1.39 -0.02 116.25 115.69 3a1v h VAL 173 Ca -0.07 -1.04 -0.01 0.00 -1.23 0.00 0.00 66.70 64.34 3a1v h VAL 173 Cb 0.67 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 3a1v h VAL 173 CO 0.10 0.38 -0.13 -0.08 -1.23 0.00 0.00 177.57 176.61 3a1v h GLU 174 N 0.84 -0.34 -0.07 5.19 4.81 -1.19 -2.98 114.58 120.84 3a1v h GLU 174 Ca 0.16 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3a1v h GLU 174 Cb 0.48 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3a1v h GLU 174 CO 0.02 -0.12 -0.50 -0.92 -0.73 0.00 0.00 179.01 176.76 3a1v h TYR 175 N -0.51 0.23 0.00 0.92 3.20 -0.43 -2.74 116.97 117.64 3a1v h TYR 175 Ca -0.04 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 3a1v h TYR 175 Cb 0.38 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3a1v h TYR 175 CO -0.02 0.65 -0.37 0.00 -1.64 0.00 0.00 178.16 176.78 3a1v h ALA 176 N 1.34 1.35 -0.47 1.82 0.00 -0.99 -2.55 119.26 119.74 3a1v h ALA 176 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3a1v h ALA 176 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3a1v h ALA 176 CO 0.07 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3a1v n GLN 177 N -4.04 3.62 -4.05 0.00 10.64 -1.13 -4.96 117.38 117.46 3a1v n GLN 177 Ca -0.02 -2.82 -0.35 0.00 -1.83 0.00 0.00 57.00 51.98 3a1v n GLN 177 Cb 0.41 -1.87 -0.07 0.00 -0.86 0.00 0.00 30.24 27.85 3a1v n GLN 177 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 3a1v s LYS 178 N -2.22 3.24 -0.15 2.61 2.20 -0.96 -5.04 119.74 119.42 3a1v s LYS 178 Ca 0.45 -0.30 -0.33 0.00 -0.36 0.00 0.00 55.97 55.44 3a1v s LYS 178 Cb 0.32 -3.01 -0.10 0.00 -1.51 0.00 0.00 37.83 33.54 3a1v s LYS 178 CO 0.17 0.72 2.02 0.27 -0.36 0.00 0.00 175.35 178.17 3a1v n ASN 179 N 1.72 3.24 -3.77 1.43 0.23 -1.26 -4.99 115.26 111.86 3a1v n ASN 179 Ca -0.17 0.69 -0.17 0.00 -0.53 0.00 0.00 54.58 54.41 3a1v n ASN 179 Cb 0.54 -1.41 0.08 0.00 -2.08 0.00 0.00 39.78 36.92 3a1v n ASN 179 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3a1v n THR 180 N 6.14 0.00 -1.05 5.53 5.66 -1.26 -5.17 114.28 124.13 3a1v n THR 180 Ca 0.27 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 3a1v n THR 180 Cb 0.33 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 3a1v n THR 180 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3a1v n HIS 183 N -3.82 0.00 0.00 1.09 -0.00 -1.26 -5.16 115.22 106.06 3a1v n HIS 183 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 3a1v n HIS 183 Cb 0.33 -1.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.91 3a1v n HIS 183 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 3a1v n ARG 184 N -0.88 0.22 -3.66 -1.40 0.63 -1.26 -4.92 116.66 105.39 3a1v n ARG 184 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 3a1v n ARG 184 Cb 0.35 -0.57 -0.09 0.00 0.45 0.00 0.00 32.46 32.60 3a1v n ARG 184 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 3a1v s MET 185 N -1.13 4.09 0.14 -0.14 -1.94 -1.26 -4.97 119.30 114.09 3a1v s MET 185 Ca 0.00 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 3a1v s MET 185 Cb 0.00 -3.52 0.00 0.00 2.01 0.00 0.00 34.83 33.32 3a1v s MET 185 CO 0.00 0.09 0.00 -0.89 -0.01 0.00 0.00 175.02 174.21 3a1v n ILE 186 N 4.19 0.66 -4.44 2.53 2.08 -1.26 -5.12 119.36 118.00 3a1v n ILE 186 Ca -0.15 0.22 -0.20 0.00 0.56 0.00 0.00 62.75 63.18 3a1v n ILE 186 Cb 0.52 -1.11 -0.15 0.00 -0.75 0.00 0.00 39.64 38.15 3a1v n ILE 186 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3a1v s LEU 187 N -6.62 1.93 -0.33 1.39 2.96 -1.26 -5.12 118.68 111.63 3a1v s LEU 187 Ca 0.00 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 3a1v s LEU 187 Cb 0.00 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 3a1v s LEU 187 CO 0.00 0.11 0.20 -0.62 -1.32 0.00 0.00 176.35 174.72 3a1v s ASP 188 N -0.07 5.83 -0.07 3.68 -1.08 -1.26 -4.97 116.67 118.72 3a1v s ASP 188 Ca 0.01 -0.51 0.16 0.00 -0.52 0.00 0.00 52.55 51.69 3a1v s ASP 188 Cb -0.06 -2.08 0.58 0.00 -1.46 0.00 0.00 42.92 39.90 3a1v s ASP 188 CO -0.00 -0.23 1.46 -1.22 0.52 0.00 0.00 175.17 175.70 3a1v n TYR 189 N 5.05 1.13 0.00 -5.34 4.01 -1.26 -5.04 117.16 115.71 3a1v n TYR 189 Ca -0.13 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 3a1v n TYR 189 Cb 0.49 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 3a1v n TYR 189 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a1v n GLY 190 N 1.09 -0.13 0.28 2.72 0.00 -1.26 -4.31 105.19 103.57 3a1v n GLY 190 Ca 0.21 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 3a1v n GLY 190 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a1v h GLU 191 N 0.00 0.83 0.55 1.61 4.81 -1.98 -0.75 114.58 119.65 3a1v h GLU 191 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3a1v h GLU 191 Cb 0.00 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 3a1v h GLU 191 CO 0.00 0.55 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.29 3a1v h LYS 192 N 0.85 -0.79 -0.43 1.92 1.63 -2.00 -0.48 116.57 117.27 3a1v h LYS 192 Ca 0.30 0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 60.05 3a1v h LYS 192 Cb 0.06 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 3a1v h LYS 192 CO -0.13 -0.53 -0.14 0.28 -3.45 0.00 0.00 179.45 175.49 3a1v h VAL 193 N -0.82 1.26 -0.48 2.00 2.07 -1.72 -2.53 116.25 116.04 3a1v h VAL 193 Ca -0.07 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 3a1v h VAL 193 Cb 0.66 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3a1v h VAL 193 CO 0.08 0.42 -0.02 -0.33 0.02 0.00 0.00 177.57 177.73 3a1v h GLU 194 N 0.71 0.80 -0.32 1.57 4.39 -1.04 -0.43 114.58 120.27 3a1v h GLU 194 Ca 0.11 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3a1v h GLU 194 Cb 0.63 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3a1v h GLU 194 CO 0.04 0.82 -0.01 0.66 -1.16 0.00 0.00 179.01 179.36 3a1v h SER 195 N 0.74 0.56 -0.63 1.42 4.64 -0.90 -1.62 113.55 117.76 3a1v h SER 195 Ca 0.14 -0.32 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3a1v h SER 195 Cb 0.48 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3a1v h SER 195 CO 0.02 0.75 0.41 -0.33 -0.87 0.00 0.00 176.83 176.81 3a1v h GLU 196 N 0.36 0.82 -0.39 4.77 4.39 -1.21 -1.37 114.58 121.95 3a1v h GLU 196 Ca 0.09 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.80 3a1v h GLU 196 Cb 0.47 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 3a1v h GLU 196 CO 0.02 0.54 0.08 0.82 -1.16 0.00 0.00 179.01 179.31 3a1v h ILE 197 N 0.84 0.80 -0.58 3.13 2.04 -0.95 -1.16 117.51 121.64 3a1v h ILE 197 Ca 0.24 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3a1v h ILE 197 Cb -0.08 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3a1v h ILE 197 CO -0.06 0.04 0.37 0.11 0.00 0.00 0.00 178.15 178.61 3a1v h LYS 198 N 0.21 0.73 -0.68 2.37 1.57 -0.83 0.12 116.57 120.05 3a1v h LYS 198 Ca 0.19 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3a1v h LYS 198 Cb 0.22 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3a1v h LYS 198 CO -0.24 0.48 0.43 0.87 -0.57 0.00 0.00 179.45 180.42 3a1v h LYS 199 N 0.75 0.83 -0.30 3.15 1.57 -0.80 0.42 116.57 122.18 3a1v h LYS 199 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3a1v h LYS 199 Cb -0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3a1v h LYS 199 CO -0.07 0.55 0.10 0.28 -0.57 0.00 0.00 179.45 179.74 3a1v h VAL 200 N 0.85 1.20 -0.34 0.50 2.07 -0.80 -2.65 116.25 117.09 3a1v h VAL 200 Ca 0.27 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.20 3a1v h VAL 200 Cb -0.00 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3a1v h VAL 200 CO -0.10 0.21 0.06 -0.33 0.02 0.00 0.00 177.57 177.44 3a1v h GLU 201 N 0.34 0.17 -0.36 1.57 5.08 -0.23 -1.69 114.58 119.47 3a1v h GLU 201 Ca 0.10 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3a1v h GLU 201 Cb 0.23 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 3a1v h GLU 201 CO -0.00 0.11 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.17 3a1v h ASN 202 N 0.18 -0.23 -0.93 1.42 2.35 -0.88 -1.41 115.58 116.08 3a1v h ASN 202 Ca 0.16 0.09 0.09 0.00 -0.55 0.00 0.00 56.30 56.10 3a1v h ASN 202 Cb 0.18 0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.66 3a1v h ASN 202 CO -0.21 -0.07 0.60 0.15 -1.65 0.00 0.00 177.43 176.24 3a1v h PHE 203 N 0.05 1.03 -0.00 1.19 3.04 -1.02 -1.81 116.94 119.43 3a1v h PHE 203 Ca 0.17 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.15 3a1v h PHE 203 Cb 0.25 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.43 3a1v h PHE 203 CO -0.28 0.48 -0.21 1.28 -2.02 0.00 0.00 178.31 177.56 3a1v n LEU 204 N -4.54 0.51 -0.34 0.59 4.77 -0.70 -4.22 117.00 113.08 3a1v n LEU 204 Ca 0.16 0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 3a1v n LEU 204 Cb 0.29 -0.23 0.30 0.00 -2.33 0.00 0.00 43.42 41.45 3a1v n LEU 204 CO 0.31 0.10 1.18 0.03 -1.33 0.00 0.00 177.39 177.68 3a1v h ARG 205 N 0.47 0.72 -0.01 3.23 2.47 -0.37 0.70 114.38 121.59 3a1v h ARG 205 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3a1v h ARG 205 Cb 0.44 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3a1v h ARG 205 CO 0.00 0.48 -0.04 -0.40 0.56 0.00 0.00 179.97 180.57 3a1v n ASP 206 N -4.79 1.09 -4.92 7.04 5.75 -1.26 -4.87 116.55 114.58 3a1v n ASP 206 Ca 0.22 -1.25 -0.26 0.00 -0.01 0.00 0.00 54.79 53.49 3a1v n ASP 206 Cb 0.54 0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 3a1v n ASP 206 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3a1v s LYS 207 N -2.11 3.54 -1.05 0.11 -0.14 0.24 -5.03 119.74 115.30 3a1v s LYS 207 Ca 0.37 -0.09 -0.06 0.00 -1.36 0.00 0.00 55.97 54.82 3a1v s LYS 207 Cb 0.21 -2.58 0.27 0.00 -1.68 0.00 0.00 37.83 34.05 3a1v s LYS 207 CO 0.38 0.07 1.06 0.36 -0.76 0.00 0.00 175.35 176.46 3a1v n LYS 208 N -1.70 3.39 -2.25 1.68 2.85 -1.26 -5.04 118.16 115.82 3a1v n LYS 208 Ca -0.02 -4.48 -0.32 0.00 -1.05 0.00 0.00 58.31 52.44 3a1v n LYS 208 Cb 0.55 -2.51 -0.02 0.00 -0.65 0.00 0.00 35.03 32.41 3a1v n LYS 208 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3a1v s LEU 209 N -1.48 3.52 -0.15 -5.58 1.43 -1.26 -4.97 118.68 110.19 3a1v s LEU 209 Ca 0.30 1.54 0.16 0.00 -1.03 0.00 0.00 54.13 55.10 3a1v s LEU 209 Cb -0.07 -4.50 0.61 0.00 0.03 0.00 0.00 46.19 42.26 3a1v s LEU 209 CO -0.07 -0.68 1.53 0.54 0.23 0.00 0.00 176.35 177.89 3a1v n ARG 210 N -1.89 3.57 -3.69 1.70 1.74 -1.26 -4.92 116.66 111.91 3a1v n ARG 210 Ca 0.06 -2.81 -0.14 0.00 -0.77 0.00 0.00 57.85 54.19 3a1v n ARG 210 Cb 0.54 -1.87 -0.07 0.00 -1.02 0.00 0.00 32.46 30.04 3a1v n ARG 210 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3a1v s ILE 211 N -2.28 0.05 0.46 0.55 1.10 -1.26 -5.00 121.20 114.82 3a1v s ILE 211 Ca 0.45 -0.40 -0.24 0.00 -0.51 0.00 0.00 60.65 59.94 3a1v s ILE 211 Cb 0.32 -0.79 -0.08 0.00 0.15 0.00 0.00 42.46 42.06 3a1v s ILE 211 CO 0.16 -0.22 1.31 -0.46 -2.11 0.00 0.00 174.94 173.62 3a1v n ASN 212 N 0.97 2.67 0.24 4.50 6.94 -1.26 -4.84 115.26 124.47 3a1v n ASN 212 Ca -0.20 1.07 0.07 0.00 -0.02 0.00 0.00 54.58 55.49 3a1v n ASN 212 Cb 0.57 -1.54 0.57 0.00 -2.36 0.00 0.00 39.78 37.03 3a1v n ASN 212 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 3a1v h PRO 213 N 1.91 0.00 -0.15 -0.53 0.11 -1.98 -2.68 132.00 128.69 3a1v h PRO 213 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3a1v h PRO 213 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3a1v h PRO 213 CO 0.59 0.11 0.01 -0.09 -0.21 0.00 0.00 178.00 178.41 3a1v h ARG 214 N 0.00 0.25 -0.41 1.05 2.43 -1.93 0.14 114.38 115.92 3a1v h ARG 214 Ca -0.00 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3a1v h ARG 214 Cb 0.19 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3a1v h ARG 214 CO 0.01 0.46 0.25 -0.92 -1.51 0.00 0.00 179.97 178.27 3a1v h TYR 215 N 0.00 0.47 -0.61 2.20 3.20 -1.72 -0.46 116.97 120.04 3a1v h TYR 215 Ca 0.04 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.01 3a1v h TYR 215 Cb 0.35 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 3a1v h TYR 215 CO 0.03 0.28 0.28 0.35 -1.64 0.00 0.00 178.16 177.45 3a1v h PHE 216 N 0.50 0.49 -0.16 -3.82 3.04 -1.26 -1.63 116.94 114.10 3a1v h PHE 216 Ca 0.16 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 3a1v h PHE 216 Cb -0.02 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 3a1v h PHE 216 CO -0.06 0.18 0.07 0.00 -2.02 0.00 0.00 178.31 176.47 3a1v h ALA 217 N 1.38 0.21 -0.61 2.41 0.00 -0.15 0.78 119.26 123.28 3a1v h ALA 217 Ca 0.30 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3a1v h ALA 217 Cb 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3a1v h ALA 217 CO -0.25 -0.20 0.33 -0.07 0.00 0.00 0.00 179.25 179.06 3a1v h LEU 218 N 0.12 0.49 -0.39 0.00 3.38 -0.77 -0.28 115.31 117.86 3a1v h LEU 218 Ca 0.05 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3a1v h LEU 218 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3a1v h LEU 218 CO -0.01 0.33 -0.75 0.11 0.09 0.00 0.00 178.44 178.21 3a1v h LYS 219 N 0.63 0.36 0.44 1.13 1.79 -1.06 -1.82 116.57 118.04 3a1v h LYS 219 Ca 0.27 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 3a1v h LYS 219 Cb 0.16 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3a1v h LYS 219 CO -0.17 0.96 -0.21 -0.92 -1.08 0.00 0.00 179.45 178.03 3a1v h TYR 220 N 0.24 -0.54 -0.96 -1.35 5.03 -0.52 -1.17 116.97 117.69 3a1v h TYR 220 Ca -0.03 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.43 3a1v h TYR 220 Cb 1.33 0.18 -0.09 0.00 1.55 0.00 0.00 36.73 39.71 3a1v h TYR 220 CO 0.04 -0.22 0.61 -0.07 -1.32 0.00 0.00 178.16 177.20 3a1v h LEU 221 N -0.88 0.73 -0.02 2.82 3.38 -1.12 0.19 115.31 120.42 3a1v h LEU 221 Ca -0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a1v h LEU 221 Cb 0.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3a1v h LEU 221 CO 0.10 0.33 0.00 -1.20 0.09 0.00 0.00 178.44 177.75 3a1v n SER 222 N -4.64 0.03 0.00 -0.43 7.64 -0.69 -4.22 113.62 111.31 3a1v n SER 222 Ca 0.20 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.59 3a1v n SER 222 Cb 0.51 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3a1v n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a1v n GLY 223 N 0.55 0.44 3.63 0.23 0.00 0.05 -4.54 105.19 105.55 3a1v n GLY 223 Ca 0.05 -0.97 -0.47 0.00 0.00 0.00 0.00 46.02 44.63 3a1v n GLY 223 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1v n ASP 224 N 1.76 2.11 -0.24 1.61 2.03 -0.49 -4.73 116.55 118.60 3a1v n ASP 224 Ca 0.00 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.49 3a1v n ASP 224 Cb 0.00 -1.33 0.16 0.00 -0.72 0.00 0.00 41.12 39.23 3a1v n ASP 224 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a1v h PRO 225 N 3.83 0.36 0.14 -0.67 0.11 -1.90 0.22 132.00 134.10 3a1v h PRO 225 Ca -0.44 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 3a1v h PRO 225 Cb 1.31 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.36 3a1v h PRO 225 CO 0.73 0.24 -0.87 1.49 -0.21 0.00 0.00 178.00 179.38 3a1v h GLU 226 N 0.37 0.34 0.14 1.05 4.81 -1.89 -3.21 114.58 116.19 3a1v h GLU 226 Ca 0.39 -0.55 -0.29 0.00 -0.13 0.00 0.00 59.36 58.77 3a1v h GLU 226 Cb 0.59 0.20 0.02 0.00 0.63 0.00 0.00 28.75 30.20 3a1v h GLU 226 CO -0.41 1.26 -1.26 0.74 -0.73 0.00 0.00 179.01 178.61 3a1v h PHE 227 N -0.30 0.79 0.28 0.92 0.04 -1.81 -2.16 116.94 114.70 3a1v h PHE 227 Ca -0.15 -0.53 -0.01 0.00 2.80 0.00 0.00 57.97 60.08 3a1v h PHE 227 Cb 1.68 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.78 3a1v h PHE 227 CO 0.19 1.39 -0.14 -0.92 -0.60 0.00 0.00 178.31 178.23 3a1v h TYR 228 N 0.18 -0.35 -0.68 -0.55 3.20 -0.75 0.11 116.97 118.13 3a1v h TYR 228 Ca -0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.71 3a1v h TYR 228 Cb 1.95 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 40.29 3a1v h TYR 228 CO 0.09 -0.14 0.44 0.66 -1.64 0.00 0.00 178.16 177.57 3a1v h SER 229 N -0.49 0.74 -0.44 -2.11 4.64 -1.64 -1.60 113.55 112.64 3a1v h SER 229 Ca -0.04 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3a1v h SER 229 Cb 0.37 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3a1v h SER 229 CO 0.06 0.52 0.02 -0.08 -0.87 0.00 0.00 176.83 176.48 3a1v h GLU 230 N 0.87 0.77 -0.81 4.77 4.57 -1.33 -2.00 114.58 121.43 3a1v h GLU 230 Ca 0.26 -0.24 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3a1v h GLU 230 Cb -0.04 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 3a1v h GLU 230 CO -0.08 0.83 0.53 0.78 -1.18 0.00 0.00 179.01 179.89 3a1v h GLY 231 N 0.62 1.14 1.51 1.92 0.00 -0.39 -1.41 103.07 106.46 3a1v h GLY 231 Ca 0.13 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3a1v h GLY 231 CO 0.02 0.34 -0.57 -2.08 0.00 0.00 0.00 176.54 174.24 3a1v h VAL 232 N 0.99 1.33 0.00 4.60 2.07 -1.06 -1.28 116.25 122.90 3a1v h VAL 232 Ca 0.32 -1.85 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 3a1v h VAL 232 Cb 0.04 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3a1v h VAL 232 CO -0.09 0.57 -0.24 0.11 0.02 0.00 0.00 177.57 177.93 3a1v h LYS 233 N 0.38 0.00 0.00 1.57 1.57 -0.60 -1.95 116.57 117.55 3a1v h LYS 233 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a1v h LYS 233 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3a1v h LYS 233 CO 0.10 0.24 -0.01 1.28 -0.57 0.00 0.00 179.45 180.50 3a1v n LEU 234 N -3.94 0.32 0.00 2.94 4.77 -0.61 -4.90 117.00 115.58 3a1v n LEU 234 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3a1v n LEU 234 Cb 0.32 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3a1v n LEU 234 CO 0.35 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3a1v n GLY 235 N 1.43 1.33 3.83 -0.72 0.00 -0.73 -5.10 105.19 105.23 3a1v n GLY 235 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3a1v n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1v s LEU 236 N 0.00 3.60 0.71 0.99 1.43 -0.51 -5.00 118.68 119.90 3a1v s LEU 236 Ca 0.00 1.64 -0.16 0.00 -1.03 0.00 0.00 54.13 54.58 3a1v s LEU 236 Cb 0.00 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.73 3a1v s LEU 236 CO 0.00 -0.73 1.22 -2.84 0.23 0.00 0.00 176.35 174.23 3a1v s PRO 237 N -4.05 2.26 0.56 1.29 0.02 -1.26 -4.38 135.00 129.45 3a1v s PRO 237 Ca 0.60 1.81 -0.17 0.00 0.02 0.00 0.00 61.00 63.27 3a1v s PRO 237 Cb -0.11 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3a1v s PRO 237 CO 0.32 -1.75 1.04 -1.21 -0.33 0.00 0.00 177.00 175.07 3a1v s GLU 238 N -3.79 3.53 0.00 5.54 2.02 -1.26 -4.80 118.70 119.95 3a1v s GLU 238 Ca 0.76 1.17 0.08 0.00 0.02 0.00 0.00 54.97 57.00 3a1v s GLU 238 Cb -0.30 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 3a1v s GLU 238 CO 0.43 -0.64 -0.25 -0.51 0.02 0.00 0.00 175.26 174.32 3a1v s LEU 239 N -4.25 2.09 1.18 1.80 1.43 -1.26 -5.13 118.68 114.54 3a1v s LEU 239 Ca 0.63 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 3a1v s LEU 239 Cb -0.15 -1.24 0.29 0.00 0.03 0.00 0.00 46.19 45.13 3a1v s LEU 239 CO 0.33 0.28 1.02 -0.94 0.23 0.00 0.00 176.35 177.27 3a1v s SER 240 N -0.79 0.85 0.22 2.29 1.04 -1.26 -4.82 113.70 111.23 3a1v s SER 240 Ca 0.10 1.49 -0.01 0.00 0.48 0.00 0.00 55.95 58.01 3a1v s SER 240 Cb -0.09 -2.29 0.21 0.00 0.10 0.00 0.00 66.02 63.95 3a1v s SER 240 CO 0.00 -4.28 1.57 -0.33 0.98 0.00 0.00 173.24 171.19 3a1v h GLU 241 N -2.67 0.51 -0.37 4.02 5.08 -2.00 -2.74 114.58 116.41 3a1v h GLU 241 Ca -0.62 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 57.34 3a1v h GLU 241 Cb 1.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3a1v h GLU 241 CO 0.51 0.87 -0.25 0.93 -1.00 0.00 0.00 179.01 180.06 3a1v h GLU 242 N 0.41 0.75 -0.03 2.33 3.07 -1.99 -2.10 114.58 117.02 3a1v h GLU 242 Ca 0.03 -0.31 -0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3a1v h GLU 242 Cb 0.96 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3a1v h GLU 242 CO 0.09 0.92 0.01 0.93 -1.40 0.00 0.00 179.01 179.56 3a1v h GLU 243 N 0.65 0.04 -0.87 2.33 5.08 -1.90 0.19 114.58 120.10 3a1v h GLU 243 Ca 0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3a1v h GLU 243 Cb 0.76 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3a1v h GLU 243 CO 0.06 0.24 0.50 0.00 -1.00 0.00 0.00 179.01 178.81 3a1v h ARG 244 N -0.16 1.21 -0.17 2.33 3.08 -1.46 0.14 114.38 119.34 3a1v h ARG 244 Ca 0.01 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3a1v h ARG 244 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3a1v h ARG 244 CO -0.00 0.87 -0.01 0.82 -1.07 0.00 0.00 179.97 180.58 3a1v h ILE 245 N 1.21 1.26 -0.30 2.04 2.04 -1.32 -1.99 117.51 120.46 3a1v h ILE 245 Ca 0.31 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.34 3a1v h ILE 245 Cb -0.00 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3a1v h ILE 245 CO -0.05 0.27 -0.04 1.23 0.00 0.00 0.00 178.15 179.55 3a1v h GLY 246 N 0.05 0.25 1.19 5.37 0.00 -0.15 -0.69 103.07 109.08 3a1v h GLY 246 Ca 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3a1v h GLY 246 CO 0.01 -0.09 0.32 -0.97 0.00 0.00 0.00 176.54 175.81 3a1v h TYR 247 N 0.04 1.05 -0.20 5.60 0.05 -0.72 -2.31 116.97 120.47 3a1v h TYR 247 Ca 0.14 -0.05 -0.17 0.00 0.05 0.00 0.00 58.73 58.70 3a1v h TYR 247 Cb 0.21 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 3a1v h TYR 247 CO -0.26 0.78 -0.58 -0.09 -1.05 0.00 0.00 178.16 176.96 3a1v h ARG 248 N 1.03 0.63 -0.21 4.88 2.43 -0.76 -1.92 114.38 120.47 3a1v h ARG 248 Ca 0.25 -0.41 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 3a1v h ARG 248 Cb 0.15 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3a1v h ARG 248 CO -0.03 1.03 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.27 3a1v h LEU 249 N 0.47 0.47 -0.34 3.80 3.38 -1.03 -0.88 115.31 121.18 3a1v h LEU 249 Ca 0.00 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3a1v h LEU 249 Cb 1.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3a1v h LEU 249 CO 0.11 0.79 0.21 0.25 0.09 0.00 0.00 178.44 179.90 3a1v h LEU 250 N 0.14 0.36 -0.67 1.67 6.46 -1.42 0.19 115.31 122.05 3a1v h LEU 250 Ca 0.04 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 3a1v h LEU 250 Cb 0.63 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 3a1v h LEU 250 CO 0.04 0.26 0.25 0.40 -0.62 0.00 0.00 178.44 178.77 3a1v h ILE 251 N 0.44 1.24 -0.43 4.05 2.04 -1.31 -1.39 117.51 122.15 3a1v h ILE 251 Ca 0.13 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3a1v h ILE 251 Cb -0.03 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3a1v h ILE 251 CO -0.04 0.31 0.15 0.00 0.00 0.00 0.00 178.15 178.57 3a1v h ALA 252 N 1.11 0.56 -0.65 1.87 0.00 -0.80 -2.28 119.26 119.06 3a1v h ALA 252 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3a1v h ALA 252 Cb 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3a1v h ALA 252 CO -0.01 0.19 0.30 -0.22 0.00 0.00 0.00 179.25 179.50 3a1v h LYS 253 N 0.55 0.95 -0.32 0.00 3.11 -0.35 -1.08 116.57 119.43 3a1v h LYS 253 Ca 0.14 -0.15 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 3a1v h LYS 253 Cb 0.22 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 3a1v h LYS 253 CO -0.01 0.76 0.17 -0.09 -2.81 0.00 0.00 179.45 177.48 3a1v h ARG 254 N 0.90 0.44 -0.99 1.90 9.65 -1.19 -1.82 114.38 123.28 3a1v h ARG 254 Ca 0.22 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.12 3a1v h ARG 254 Cb 0.14 -0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 28.57 3a1v h ARG 254 CO -0.03 0.38 0.64 0.87 2.80 0.00 0.00 179.97 184.63 3a1v h LYS 255 N 0.39 1.12 0.08 0.20 1.57 -1.09 -1.92 116.57 116.92 3a1v h LYS 255 Ca 0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3a1v h LYS 255 Cb 0.06 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3a1v h LYS 255 CO -0.02 0.74 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.47 3a1v h ARG 256 N 1.15 -0.11 0.00 3.15 9.65 -0.68 -1.31 114.38 126.24 3a1v h ARG 256 Ca 0.43 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 59.26 3a1v h ARG 256 Cb 0.18 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 3a1v h ARG 256 CO -0.18 0.12 -0.28 1.05 2.80 0.00 0.00 179.97 183.49 3a1v h GLU 257 N -0.33 0.00 -0.39 0.20 4.11 -1.19 -0.04 114.58 116.95 3a1v h GLU 257 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 3a1v h GLU 257 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3a1v h GLU 257 CO 0.02 0.28 0.05 -0.92 0.07 0.00 0.00 179.01 178.51 3a1v h TYR 258 N 0.00 0.70 -0.20 2.06 3.20 -1.16 -2.30 116.97 119.26 3a1v h TYR 258 Ca -0.00 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 3a1v h TYR 258 Cb 0.60 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3a1v h TYR 258 CO 0.00 0.70 0.11 0.28 -1.64 0.00 0.00 178.16 177.61 3a1v h VAL 259 N 0.50 1.11 -0.64 1.81 2.07 -0.03 -1.72 116.25 119.35 3a1v h VAL 259 Ca 0.12 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.41 3a1v h VAL 259 Cb 0.38 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3a1v h VAL 259 CO 0.01 0.11 0.42 -0.33 0.02 0.00 0.00 177.57 177.80 3a1v h GLU 260 N 0.22 0.57 -0.18 1.57 5.08 -1.05 -1.51 114.58 119.28 3a1v h GLU 260 Ca 0.07 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3a1v h GLU 260 Cb 0.07 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3a1v h GLU 260 CO -0.01 0.38 -0.23 -0.97 -1.00 0.00 0.00 179.01 177.18 3a1v h ASN 261 N 0.59 0.52 -0.89 1.42 -1.24 -0.94 -1.46 115.58 113.59 3a1v h ASN 261 Ca 0.28 -0.50 0.05 0.00 0.71 0.00 0.00 56.30 56.84 3a1v h ASN 261 Cb 0.35 -0.15 -0.06 0.00 0.73 0.00 0.00 38.32 39.20 3a1v h ASN 261 CO -0.09 0.92 0.57 0.58 -1.29 0.00 0.00 177.43 178.11 3a1v h VAL 262 N 0.14 1.10 -0.33 2.57 2.07 -0.78 -2.04 116.25 118.97 3a1v h VAL 262 Ca 0.02 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 3a1v h VAL 262 Cb 0.79 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3a1v h VAL 262 CO 0.05 0.20 -0.29 0.58 0.02 0.00 0.00 177.57 178.13 3a1v h VAL 263 N 1.07 1.28 -0.75 2.57 2.07 -1.23 -0.96 116.25 120.30 3a1v h VAL 263 Ca 0.37 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 3a1v h VAL 263 Cb 0.08 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3a1v h VAL 263 CO -0.14 0.46 0.39 0.11 0.02 0.00 0.00 177.57 178.42 3a1v h LYS 264 N 0.60 1.05 0.15 1.57 6.56 -0.59 -1.17 116.57 124.75 3a1v h LYS 264 Ca 0.07 -0.13 -0.24 0.00 -1.06 0.00 0.00 60.65 59.30 3a1v h LYS 264 Cb 0.80 -0.20 0.02 0.00 -0.57 0.00 0.00 32.23 32.28 3a1v h LYS 264 CO 0.07 0.78 -1.11 0.93 -2.06 0.00 0.00 179.45 178.06 3a1v h GLU 265 N 1.05 0.33 0.00 3.15 4.39 -1.17 -3.38 114.58 118.95 3a1v h GLU 265 Ca 0.26 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3a1v h GLU 265 Cb 0.05 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3a1v h GLU 265 CO -0.04 1.27 -0.88 0.00 -1.16 0.00 0.00 179.01 178.20 3a1v n ALA 266 N -2.76 3.30 -3.78 3.43 0.00 -0.38 -4.78 120.51 115.53 3a1v n ALA 266 Ca -0.18 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.56 3a1v n ALA 266 Cb 0.90 -1.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.17 3a1v n ALA 266 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3a1v s PHE 267 N -3.17 3.07 -1.92 0.00 0.08 -0.44 -0.83 117.98 114.76 3a1v s PHE 267 Ca 0.05 -1.65 0.15 0.00 0.12 0.00 0.00 56.93 55.61 3a1v s PHE 267 Cb 0.14 -2.04 0.12 0.00 -0.57 0.00 0.00 43.02 40.68 3a1v s PHE 267 CO 0.77 -0.75 0.99 0.00 -0.10 0.00 0.00 175.22 176.13