#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1v s VAL 17 N 0.00 1.05 -0.28 1.12 1.01 0.47 -4.96 120.40 118.81 3a1v s VAL 17 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3a1v s VAL 17 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3a1v s VAL 17 CO 0.00 0.35 0.43 -1.59 0.00 0.00 0.00 175.10 174.28 3a1v s LYS 18 N 0.97 3.94 -0.09 2.72 0.00 -1.26 -0.54 119.74 125.48 3a1v s LYS 18 Ca -0.09 0.05 0.03 0.00 0.00 0.00 0.00 55.97 55.95 3a1v s LYS 18 Cb -0.15 -3.69 -0.02 0.00 0.00 0.00 0.00 37.83 33.98 3a1v s LYS 18 CO 0.00 -0.37 -0.17 0.08 0.00 0.00 0.00 175.35 174.90 3a1v s VAL 19 N 2.17 2.76 -0.19 1.79 1.01 -0.40 -0.63 120.40 126.91 3a1v s VAL 19 Ca 0.17 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 3a1v s VAL 19 Cb -0.16 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3a1v s VAL 19 CO 0.10 0.56 0.07 0.00 0.00 0.00 0.00 175.10 175.83 3a1v s ALA 20 N -0.07 3.39 -0.39 5.51 0.00 -1.01 -0.72 121.76 128.47 3a1v s ALA 20 Ca -0.04 -0.78 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 3a1v s ALA 20 Cb -0.14 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.05 3a1v s ALA 20 CO 0.04 0.11 0.57 -0.51 0.00 0.00 0.00 175.76 175.98 3a1v s LEU 21 N 0.49 4.45 0.16 0.00 1.43 0.40 -0.70 118.68 124.91 3a1v s LEU 21 Ca 0.03 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3a1v s LEU 21 Cb -0.13 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 3a1v s LEU 21 CO 0.01 -0.63 -0.09 0.00 0.23 0.00 0.00 176.35 175.87 3a1v s ALA 22 N 2.58 2.96 0.00 4.21 0.00 0.11 -1.81 121.76 129.80 3a1v s ALA 22 Ca 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.76 3a1v s ALA 22 Cb -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.18 3a1v s ALA 22 CO 0.16 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.84 3a1v n GLY 23 N 0.20 3.30 3.66 0.00 0.00 -1.26 0.07 105.19 111.17 3a1v n GLY 23 Ca -0.11 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.68 2.70 -1.34 0.00 0.04 -1.26 -3.94 135.00 126.51 3a1v s PRO 25 Ca 0.66 1.29 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 3a1v s PRO 25 Cb -0.22 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.39 3a1v s PRO 25 CO 0.59 -1.32 1.13 0.09 0.04 0.00 0.00 177.00 177.53 3a1v n ASN 26 N -2.72 -5.32 0.00 6.66 5.03 -1.26 -4.89 115.26 112.76 3a1v n ASN 26 Ca 0.10 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.97 3a1v n ASN 26 Cb 0.52 -4.94 0.00 0.00 -1.02 0.00 0.00 39.78 34.34 3a1v n ASN 26 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3a1v n VAL 27 N -4.80 0.68 -0.66 2.41 0.24 -1.25 -4.98 118.33 109.96 3a1v n VAL 27 Ca -0.05 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 3a1v n VAL 27 Cb 0.58 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.34 0.62 0.11 7.63 0.00 -1.26 -4.32 105.19 107.63 3a1v n GLY 28 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 0.68 0.28 -0.09 1.61 3.64 -1.87 -0.04 116.57 120.77 3a1v h LYS 29 Ca 0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3a1v h LYS 29 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3a1v h LYS 29 CO 0.00 0.36 -0.26 1.15 -2.27 0.00 0.00 179.45 178.43 3a1v h THR 30 N 0.14 1.40 -0.83 1.00 2.02 -1.96 0.01 112.91 114.70 3a1v h THR 30 Ca 0.06 -1.60 0.11 0.00 0.77 0.00 0.00 66.41 65.76 3a1v h THR 30 Cb 0.19 2.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.71 3a1v h THR 30 CO -0.00 0.46 0.45 0.28 0.37 0.00 0.00 175.52 177.08 3a1v h SER 31 N -0.12 0.61 0.48 4.18 0.02 -1.98 0.96 113.55 117.70 3a1v h SER 31 Ca -0.01 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3a1v h SER 31 Cb 0.88 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3a1v h SER 31 CO 0.06 0.32 -0.23 0.25 -1.14 0.00 0.00 176.83 176.08 3a1v h LEU 32 N 0.72 -0.55 -0.71 5.07 5.85 -0.92 -2.70 115.31 122.07 3a1v h LEU 32 Ca 0.42 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.26 3a1v h LEU 32 Cb 0.48 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.52 3a1v h LEU 32 CO -0.29 -0.37 -0.36 0.15 -0.34 0.00 0.00 178.44 177.23 3a1v h PHE 33 N -0.68 -1.00 -0.78 1.25 3.04 0.18 0.29 116.94 119.24 3a1v h PHE 33 Ca -0.07 0.08 0.14 0.00 3.98 0.00 0.00 57.97 62.11 3a1v h PHE 33 Cb 0.51 0.54 -0.05 0.00 2.56 0.00 0.00 35.95 39.51 3a1v h PHE 33 CO -0.04 -0.39 0.52 -0.91 -2.02 0.00 0.00 178.31 175.47 3a1v h ASN 34 N -0.12 0.45 -0.36 0.41 2.35 -0.79 -2.29 115.58 115.23 3a1v h ASN 34 Ca 0.26 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.96 3a1v h ASN 34 Cb 0.56 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3a1v h ASN 34 CO -0.77 0.24 -0.07 0.00 -1.65 0.00 0.00 177.43 175.17 3a1v h ALA 35 N 1.63 0.49 0.00 -0.83 0.00 -0.09 0.18 119.26 120.65 3a1v h ALA 35 Ca 0.38 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3a1v h ALA 35 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3a1v h ALA 35 CO -0.14 0.33 -0.29 -0.07 0.00 0.00 0.00 179.25 179.08 3a1v h LEU 36 N 0.48 0.00 0.00 0.00 4.07 -1.00 -3.30 115.31 115.57 3a1v h LEU 36 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 3a1v h LEU 36 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 3a1v h LEU 36 CO 0.03 0.29 -0.91 0.35 -1.08 0.00 0.00 178.44 177.12 3a1v n THR 37 N -3.19 0.00 0.00 0.22 -2.24 -0.98 -4.54 114.28 103.54 3a1v n THR 37 Ca 0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3a1v n THR 37 Cb 0.63 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 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 1.42 0.89 0.00 3.38 0.00 0.63 -0.75 105.19 110.77 3a1v n GLY 38 Ca 0.01 0.60 0.05 0.00 0.00 0.00 0.00 46.02 46.69 3a1v n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3a1v n THR 39 N 0.00 0.00 -2.40 2.61 5.66 -1.26 -4.84 114.28 114.05 3a1v n THR 39 Ca 0.00 -0.25 -0.37 0.00 -3.05 0.00 0.00 64.05 60.38 3a1v n THR 39 Cb 0.00 0.64 -0.03 0.00 -1.55 0.00 0.00 70.33 69.39 3a1v n THR 39 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3a1v s LYS 40 N -2.37 3.42 -0.04 1.09 3.01 0.07 -4.84 119.74 120.08 3a1v s LYS 40 Ca 0.00 -1.46 -0.29 0.00 -1.01 0.00 0.00 55.97 53.21 3a1v s LYS 40 Cb 0.08 -5.39 0.10 0.00 -1.01 0.00 0.00 37.83 31.61 3a1v s LYS 40 CO 0.45 -2.77 0.88 1.14 0.51 0.00 0.00 175.35 175.56 3a1v s GLN 41 N 5.18 0.81 0.01 1.68 -2.07 -1.26 0.13 119.66 124.14 3a1v s GLN 41 Ca 0.57 -0.15 -0.03 0.00 -1.82 0.00 0.00 55.36 53.94 3a1v s GLN 41 Cb 0.01 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 3a1v s GLN 41 CO 0.05 -0.32 0.04 1.52 -1.32 0.00 0.00 175.29 175.26 3a1v s TYR 42 N -2.47 0.13 -0.25 9.60 1.13 -0.89 -5.02 117.35 119.58 3a1v s TYR 42 Ca 0.02 -0.27 -0.05 0.00 -1.41 0.00 0.00 57.07 55.35 3a1v s TYR 42 Cb -0.01 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.75 3a1v s TYR 42 CO -0.05 -0.20 0.00 0.14 -2.51 0.00 0.00 175.55 172.94 3a1v s VAL 43 N -1.17 3.54 0.00 -3.49 -7.23 -1.26 -2.70 120.40 108.09 3a1v s VAL 43 Ca -0.13 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3a1v s VAL 43 Cb -0.08 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.15 3a1v s VAL 43 CO 0.00 0.28 0.00 0.00 -0.31 0.00 0.00 175.10 175.07 3a1v n ALA 44 N 4.81 0.00 -3.00 1.32 0.00 -0.40 -4.95 120.51 118.29 3a1v n ALA 44 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 3a1v n ALA 44 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 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 0.45 0.00 2.20 -1.26 -1.38 114.94 115.98 3a1v s ASN 45 Ca 0.00 -0.27 -0.24 0.00 -0.94 0.00 0.00 52.86 51.40 3a1v s ASN 45 Cb 0.00 0.24 -0.07 0.00 -2.00 0.00 0.00 41.25 39.41 3a1v s ASN 45 CO 0.00 -0.45 1.27 0.26 -2.94 0.00 0.00 177.10 175.25 3a1v s TRP 46 N -1.88 2.72 -0.25 1.54 0.52 -0.81 -4.76 118.94 116.03 3a1v s TRP 46 Ca -0.11 1.44 -0.41 0.00 0.02 0.00 0.00 56.10 57.04 3a1v s TRP 46 Cb -0.05 -3.61 -0.17 0.00 -1.15 0.00 0.00 33.47 28.49 3a1v s TRP 46 CO -0.00 -2.09 1.58 -2.30 0.02 0.00 0.00 176.95 174.16 3a1v n PRO 47 N -0.29 0.75 -0.35 4.98 -0.02 -1.26 -1.46 135.00 137.35 3a1v n PRO 47 Ca 0.06 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3a1v n PRO 47 Cb 0.45 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 3.64 2.13 3.37 -1.23 0.00 -1.26 -4.99 105.19 106.85 3a1v n GLY 48 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.21 1.65 -2.05 1.61 -7.23 -0.54 -5.04 120.40 105.60 3a1v s VAL 49 Ca 0.00 -2.17 0.28 0.00 -1.81 0.00 0.00 61.98 58.28 3a1v s VAL 49 Cb 0.00 -2.19 0.49 0.00 0.56 0.00 0.00 36.38 35.24 3a1v s VAL 49 CO 0.00 -0.49 1.77 0.35 -0.31 0.00 0.00 175.10 176.43 3a1v n THR 50 N -0.45 0.00 -1.84 5.32 -2.24 -1.26 -4.05 114.28 109.76 3a1v n THR 50 Ca -0.07 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 3a1v n THR 50 Cb 0.62 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 3a1v n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3a1v s VAL 51 N -2.25 2.52 0.50 2.28 1.01 -1.26 -4.91 120.40 118.30 3a1v s VAL 51 Ca 0.33 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 3a1v s VAL 51 Cb 0.20 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 3a1v s VAL 51 CO 0.42 0.01 1.40 -0.70 0.00 0.00 0.00 175.10 176.23 3a1v s GLU 52 N 1.70 3.39 -0.23 2.72 2.12 -1.26 -1.92 118.70 125.22 3a1v s GLU 52 Ca 0.74 2.34 -0.03 0.00 0.36 0.00 0.00 54.97 58.38 3a1v s GLU 52 Cb -0.45 -2.45 0.07 0.00 0.26 0.00 0.00 34.13 31.57 3a1v s GLU 52 CO 0.32 -1.03 0.08 0.21 -0.54 0.00 0.00 175.26 174.30 3a1v s LYS 53 N -2.69 0.41 -0.03 4.30 2.20 -0.48 -4.62 119.74 118.83 3a1v s LYS 53 Ca 0.67 -0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 55.71 3a1v s LYS 53 Cb -0.42 -1.82 -0.05 0.00 -1.51 0.00 0.00 37.83 34.02 3a1v s LYS 53 CO 0.52 -0.78 0.31 0.15 -0.36 0.00 0.00 175.35 175.20 3a1v s LYS 54 N 1.94 3.72 -0.23 4.03 1.02 -1.26 -1.27 119.74 127.69 3a1v s LYS 54 Ca 0.04 0.18 -0.16 0.00 0.02 0.00 0.00 55.97 56.04 3a1v s LYS 54 Cb -0.17 -3.17 0.07 0.00 -0.52 0.00 0.00 37.83 34.04 3a1v s LYS 54 CO -0.17 0.70 0.59 -2.00 -0.92 0.00 0.00 175.35 173.54 3a1v s GLU 55 N -1.23 0.63 -0.28 1.68 2.12 -1.10 -1.76 118.70 118.76 3a1v s GLU 55 Ca 0.23 0.97 -0.23 0.00 0.36 0.00 0.00 54.97 56.29 3a1v s GLU 55 Cb -0.15 0.18 0.13 0.00 0.26 0.00 0.00 34.13 34.55 3a1v s GLU 55 CO 0.11 -0.13 1.04 0.08 -0.54 0.00 0.00 175.26 175.83 3a1v s VAL 57 N 1.07 0.00 0.11 3.70 1.01 0.35 -2.09 120.40 124.54 3a1v s VAL 57 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3a1v s VAL 57 Cb -0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3a1v s VAL 57 CO -0.10 0.00 -0.08 0.72 0.00 0.00 0.00 175.10 175.64 3a1v s PHE 58 N 0.43 0.98 0.14 5.22 -0.12 -1.17 -4.60 117.98 118.87 3a1v s PHE 58 Ca 0.01 -0.85 0.08 0.00 -0.05 0.00 0.00 56.93 56.12 3a1v s PHE 58 Cb -0.05 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.76 3a1v s PHE 58 CO -0.08 -0.08 -0.07 -0.08 -0.05 0.00 0.00 175.22 174.85 3a1v s THR 59 N -3.43 3.40 -0.30 -4.49 -1.32 -1.26 -2.42 115.64 105.83 3a1v s THR 59 Ca 0.12 -1.42 -0.14 0.00 -1.21 0.00 0.00 61.69 59.03 3a1v s THR 59 Cb 0.04 -2.65 0.15 0.00 -1.51 0.00 0.00 72.50 68.53 3a1v s THR 59 CO -0.03 -0.01 0.91 -0.47 -2.21 0.00 0.00 174.62 172.81 3a1v s TYR 60 N -1.49 -0.80 -1.45 9.09 5.04 -0.41 -4.94 117.35 122.39 3a1v s TYR 60 Ca 0.24 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 3a1v s TYR 60 Cb -0.10 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.69 3a1v s TYR 60 CO 0.15 -0.39 0.00 1.63 -1.34 0.00 0.00 175.55 175.60 3a1v n LYS 61 N 4.80 -1.91 0.00 4.97 5.02 -1.26 -1.15 118.16 128.63 3a1v n LYS 61 Ca -0.12 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 3a1v n LYS 61 Cb 0.53 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 3a1v n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1v n GLY 62 N -0.88 2.76 3.76 0.72 0.00 -1.26 -5.01 105.19 105.28 3a1v n GLY 62 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.24 3.27 -0.28 1.61 1.51 -0.30 -4.97 117.35 116.94 3a1v s TYR 63 Ca 0.00 1.46 -0.07 0.00 -1.01 0.00 0.00 57.07 57.45 3a1v s TYR 63 Cb 0.00 -3.54 -0.00 0.00 -0.11 0.00 0.00 41.96 38.31 3a1v s TYR 63 CO 0.00 -1.44 0.08 0.99 -1.11 0.00 0.00 175.55 174.07 3a1v s THR 64 N -0.86 4.09 -0.24 -0.71 2.01 -1.26 -1.29 115.64 117.37 3a1v s THR 64 Ca 0.49 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.88 3a1v s THR 64 Cb -0.36 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 3a1v s THR 64 CO 0.46 0.15 0.09 -0.63 -0.69 0.00 0.00 174.62 173.99 3a1v s ILE 65 N 1.54 4.51 -0.40 1.82 -1.09 -1.02 -0.40 121.20 126.16 3a1v s ILE 65 Ca 0.04 -0.11 -0.19 0.00 -2.23 0.00 0.00 60.65 58.16 3a1v s ILE 65 Cb -0.17 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.62 3a1v s ILE 65 CO 0.03 0.34 0.53 0.54 -1.23 0.00 0.00 174.94 175.15 3a1v s ASN 66 N 1.48 6.28 -0.23 3.58 4.22 0.30 -3.02 114.94 127.56 3a1v s ASN 66 Ca 0.06 -0.32 -0.17 0.00 -2.14 0.00 0.00 52.86 50.29 3a1v s ASN 66 Cb -0.15 -2.27 -0.03 0.00 1.28 0.00 0.00 41.25 40.08 3a1v s ASN 66 CO 0.04 -0.61 0.48 -0.76 -2.04 0.00 0.00 177.10 174.21 3a1v s LEU 67 N 2.46 4.11 -0.20 3.54 1.02 -1.26 -1.28 118.68 127.07 3a1v s LEU 67 Ca 0.18 0.55 -0.07 0.00 0.02 0.00 0.00 54.13 54.81 3a1v s LEU 67 Cb -0.15 -2.62 -0.03 0.00 0.02 0.00 0.00 46.19 43.40 3a1v s LEU 67 CO 0.15 -0.19 0.05 -0.63 0.02 0.00 0.00 176.35 175.75 3a1v s ILE 68 N 1.83 4.48 -0.43 -0.59 1.09 0.10 -4.17 121.20 123.52 3a1v s ILE 68 Ca 0.21 -0.13 -0.19 0.00 -1.10 0.00 0.00 60.65 59.44 3a1v s ILE 68 Cb -0.15 -3.04 0.02 0.00 -1.06 0.00 0.00 42.46 38.23 3a1v s ILE 68 CO 0.09 0.42 0.54 -0.62 -0.10 0.00 0.00 174.94 175.27 3a1v s ASP 69 N 0.81 6.26 0.59 3.58 -1.08 -0.72 -0.46 116.67 125.66 3a1v s ASP 69 Ca 0.03 -0.49 -0.14 0.00 -0.52 0.00 0.00 52.55 51.42 3a1v s ASP 69 Cb -0.14 -2.27 -0.04 0.00 -1.46 0.00 0.00 42.92 39.01 3a1v s ASP 69 CO 0.02 -0.68 1.03 -0.76 0.52 0.00 0.00 175.17 175.30 3a1v s LEU 70 N 2.48 3.43 0.61 -1.34 1.43 -0.75 -4.31 118.68 120.22 3a1v s LEU 70 Ca 0.17 1.64 -0.20 0.00 -1.03 0.00 0.00 54.13 54.71 3a1v s LEU 70 Cb -0.16 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 3a1v s LEU 70 CO 0.16 -0.99 1.33 -2.84 0.23 0.00 0.00 176.35 174.25 3a1v s PRO 71 N -4.44 2.79 0.19 1.29 0.02 -1.26 -4.90 135.00 128.69 3a1v s PRO 71 Ca 0.60 2.15 -0.31 0.00 0.02 0.00 0.00 61.00 63.46 3a1v s PRO 71 Cb -0.13 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 3a1v s PRO 71 CO 0.41 -1.44 1.44 0.20 -0.33 0.00 0.00 177.00 177.29 3a1v s GLY 72 N -1.19 2.05 -0.03 0.52 0.00 -1.26 -4.75 107.32 102.65 3a1v s GLY 72 Ca 0.78 1.26 -0.01 0.00 0.00 0.00 0.00 44.72 46.75 3a1v s GLY 72 CO 0.44 2.36 0.06 -0.51 0.00 0.00 0.00 173.10 175.45 3a1v s THR 73 N 0.59 -0.07 -0.27 0.90 -4.23 -0.98 -4.58 115.64 107.00 3a1v s THR 73 Ca 0.63 0.24 0.20 0.00 -1.18 0.00 0.00 61.69 61.58 3a1v s THR 73 Cb -0.40 -0.13 0.12 0.00 1.34 0.00 0.00 72.50 73.43 3a1v s THR 73 CO 0.36 0.10 1.34 1.88 -0.54 0.00 0.00 174.62 177.76 3a1v h TYR 74 N 7.46 0.00 -2.60 3.99 0.05 -1.94 -3.12 116.97 120.81 3a1v h TYR 74 Ca -0.40 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.34 3a1v h TYR 74 Cb 1.12 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.71 3a1v h TYR 74 CO 0.49 0.23 0.19 0.45 -1.05 0.00 0.00 178.16 178.47 3a1v s SER 75 N -6.06 -0.60 -0.97 3.88 0.15 -1.26 -4.58 113.70 104.27 3a1v s SER 75 Ca 0.03 0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.96 3a1v s SER 75 Cb 0.07 0.57 0.31 0.00 -1.71 0.00 0.00 66.02 65.26 3a1v s SER 75 CO 0.74 -0.81 1.45 0.18 1.20 0.00 0.00 173.24 175.99 3a1v n LEU 76 N 0.17 6.21 0.00 3.45 4.32 -1.26 -4.82 117.00 125.07 3a1v n LEU 76 Ca -0.18 -5.34 0.00 0.00 -0.02 0.00 0.00 56.01 50.47 3a1v n LEU 76 Cb 0.62 -1.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 3a1v n LEU 76 CO 0.17 1.91 0.00 0.61 -1.22 0.00 0.00 177.39 178.86 3a1v n GLY 77 N 0.71 0.07 2.67 -0.72 0.00 -1.26 -5.05 105.19 101.61 3a1v n GLY 77 Ca 0.33 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.41 0.00 1.61 9.36 -1.26 -4.30 117.16 122.16 3a1v n TYR 78 Ca 0.00 -2.45 0.00 0.00 3.32 0.00 0.00 57.90 58.77 3a1v n TYR 78 Cb 0.00 0.46 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 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 -0.27 2.20 -4.79 2.98 7.64 -1.26 -4.75 113.62 115.38 3a1v n SER 79 Ca 0.04 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.54 3a1v n SER 79 Cb 0.83 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.98 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 -3.51 6.95 0.42 6.43 1.04 -1.26 -4.96 113.70 118.81 3a1v s SER 80 Ca 0.00 1.13 0.08 0.00 0.48 0.00 0.00 55.95 57.64 3a1v s SER 80 Cb 0.00 -2.34 0.89 0.00 0.10 0.00 0.00 66.02 64.68 3a1v s SER 80 CO 0.00 0.19 2.06 -0.29 0.98 0.00 0.00 173.24 176.18 3a1v h ILE 81 N 3.90 1.10 -0.41 -1.02 2.10 -1.98 0.81 117.51 122.02 3a1v h ILE 81 Ca -0.47 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.26 3a1v h ILE 81 Cb 1.21 0.59 -0.02 0.00 -1.09 0.00 0.00 36.82 37.51 3a1v h ILE 81 CO 0.67 0.10 0.26 0.44 -1.08 0.00 0.00 178.15 178.53 3a1v h ASP 82 N 0.49 0.48 -0.25 2.19 3.32 -1.94 0.17 116.42 120.89 3a1v h ASP 82 Ca 0.13 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 3a1v h ASP 82 Cb -0.03 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3a1v h ASP 82 CO -0.03 0.37 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.01 3a1v h GLU 83 N 0.54 0.79 -0.16 3.56 5.08 -1.53 -1.79 114.58 121.08 3a1v h GLU 83 Ca 0.15 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3a1v h GLU 83 Cb -0.03 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3a1v h GLU 83 CO -0.03 1.15 0.10 0.87 -1.00 0.00 0.00 179.01 180.10 3a1v h LYS 84 N 0.53 0.21 0.20 2.33 1.57 -0.77 -0.60 116.57 120.04 3a1v h LYS 84 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3a1v h LYS 84 Cb 1.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3a1v h LYS 84 CO 0.12 0.15 -0.10 0.82 -0.57 0.00 0.00 179.45 179.87 3a1v h ILE 85 N 0.21 0.83 -0.41 1.86 2.04 -0.68 0.22 117.51 121.58 3a1v h ILE 85 Ca 0.06 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3a1v h ILE 85 Cb -0.01 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3a1v h ILE 85 CO -0.01 0.03 0.16 0.00 0.00 0.00 0.00 178.15 178.33 3a1v h ALA 86 N 0.45 0.49 -0.29 1.87 0.00 -1.29 -1.91 119.26 118.58 3a1v h ALA 86 Ca -0.03 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 3a1v h ALA 86 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3a1v h ALA 86 CO 0.05 -0.23 -0.54 -0.09 0.00 0.00 0.00 179.25 178.43 3a1v h ARG 87 N 0.33 0.88 -0.87 0.00 2.43 -1.00 -2.45 114.38 113.69 3a1v h ARG 87 Ca 0.19 -0.56 0.10 0.00 -0.81 0.00 0.00 59.98 58.90 3a1v h ARG 87 Cb 0.16 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 3a1v h ARG 87 CO -0.18 1.19 0.56 -0.44 -1.51 0.00 0.00 179.97 179.60 3a1v h ASP 88 N 0.66 0.77 -0.11 -3.80 3.32 -0.35 -0.31 116.42 116.60 3a1v h ASP 88 Ca 0.01 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3a1v h ASP 88 Cb 1.15 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 3a1v h ASP 88 CO 0.12 0.45 -0.12 0.22 -1.72 0.00 0.00 179.24 178.19 3a1v h TYR 89 N 0.85 0.34 -0.86 4.55 3.20 -1.19 0.17 116.97 124.02 3a1v h TYR 89 Ca 0.40 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.19 3a1v h TYR 89 Cb 0.43 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 3a1v h TYR 89 CO -0.00 0.70 0.57 -0.07 -1.64 0.00 0.00 178.16 177.71 3a1v h LEU 90 N -0.12 0.95 0.00 2.82 3.38 -0.93 0.44 115.31 121.86 3a1v h LEU 90 Ca 0.02 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3a1v h LEU 90 Cb 0.64 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3a1v h LEU 90 CO 0.03 0.67 -1.72 0.18 0.09 0.00 0.00 178.44 177.69 3a1v n LEU 91 N -4.43 0.46 0.00 1.67 4.77 -0.18 -4.52 117.00 114.77 3a1v n LEU 91 Ca 0.11 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3a1v n LEU 91 Cb 0.07 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3a1v n LEU 91 CO 0.36 0.14 0.28 0.29 -1.33 0.00 0.00 177.39 177.13 3a1v n LYS 92 N -2.67 0.71 -0.28 3.23 5.02 0.58 -4.92 118.16 119.82 3a1v n LYS 92 Ca -0.12 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 3a1v n LYS 92 Cb 0.80 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 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 -0.16 -0.04 0.18 0.72 0.00 0.15 -4.93 105.19 101.11 3a1v n GLY 93 Ca 0.00 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.22 3a1v n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a1v n ASP 94 N -2.49 1.57 -4.69 1.61 5.75 -1.26 -5.01 116.55 112.02 3a1v n ASP 94 Ca 0.00 -1.36 -0.39 0.00 -0.01 0.00 0.00 54.79 53.02 3a1v n ASP 94 Cb 0.00 -0.02 0.03 0.00 -1.03 0.00 0.00 41.12 40.10 3a1v n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a1v n ALA 95 N 0.14 1.12 0.07 2.12 0.00 -1.26 -4.88 120.51 117.83 3a1v n ALA 95 Ca 0.03 0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 3a1v n ALA 95 Cb 0.15 -2.26 -0.15 0.00 0.00 0.00 0.00 19.45 17.19 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 1.48 0.63 -5.18 0.00 3.32 -1.26 -3.49 116.42 111.92 3a1v h ASP 96 Ca -0.49 -0.94 -0.06 0.00 0.02 0.00 0.00 57.03 55.57 3a1v h ASP 96 Cb 1.31 -0.20 -0.11 0.00 0.22 0.00 0.00 39.33 40.55 3a1v h ASP 96 CO 0.57 1.78 -0.12 -1.48 -1.72 0.00 0.00 179.24 178.27 3a1v s LEU 97 N -7.34 0.43 0.11 1.55 0.05 -1.22 -4.67 118.68 107.59 3a1v s LEU 97 Ca -0.16 -0.71 0.09 0.00 0.05 0.00 0.00 54.13 53.39 3a1v s LEU 97 Cb 0.05 1.74 -0.04 0.00 -2.05 0.00 0.00 46.19 45.90 3a1v s LEU 97 CO 0.86 -1.02 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.77 3a1v s VAL 98 N -3.94 2.87 -0.14 1.48 1.01 0.10 -2.40 120.40 119.38 3a1v s VAL 98 Ca 0.15 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.68 3a1v s VAL 98 Cb 0.00 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3a1v s VAL 98 CO 0.01 0.13 -0.12 -0.63 0.00 0.00 0.00 175.10 174.49 3a1v s ILE 99 N -1.12 1.41 -0.45 2.22 1.01 0.13 -0.19 121.20 124.21 3a1v s ILE 99 Ca 0.18 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 3a1v s ILE 99 Cb -0.11 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.04 3a1v s ILE 99 CO 0.10 0.42 0.63 -0.22 0.00 0.00 0.00 174.94 175.86 3a1v s LEU 100 N 1.55 4.59 -0.63 2.97 1.98 -0.44 0.06 118.68 128.76 3a1v s LEU 100 Ca 0.05 -0.45 -0.28 0.00 -2.89 0.00 0.00 54.13 50.56 3a1v s LEU 100 Cb -0.13 -2.66 0.03 0.00 0.66 0.00 0.00 46.19 44.09 3a1v s LEU 100 CO -0.10 -0.78 1.25 -0.69 -1.89 0.00 0.00 176.35 174.14 3a1v s VAL 101 N 2.75 3.89 -0.11 1.68 1.01 0.11 -0.67 120.40 129.06 3a1v s VAL 101 Ca 0.21 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 3a1v s VAL 101 Cb -0.15 -4.75 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 3a1v s VAL 101 CO 0.18 -1.49 0.07 0.00 0.00 0.00 0.00 175.10 173.85 3a1v s ALA 102 N 5.38 3.56 -0.46 5.51 0.00 0.60 -4.46 121.76 131.89 3a1v s ALA 102 Ca 0.42 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 3a1v s ALA 102 Cb -0.08 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.33 3a1v s ALA 102 CO 0.22 0.57 1.17 0.34 0.00 0.00 0.00 175.76 178.05 3a1v s ASP 103 N -0.84 6.62 0.15 0.00 -1.08 -1.26 -3.92 116.67 116.34 3a1v s ASP 103 Ca 0.13 0.54 -0.23 0.00 -0.52 0.00 0.00 52.55 52.48 3a1v s ASP 103 Cb -0.12 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.82 3a1v s ASP 103 CO 0.03 -1.25 1.63 0.28 0.52 0.00 0.00 175.17 176.37 3a1v h SER 104 N 9.32 -0.80 0.43 -0.34 0.02 -1.56 -1.18 113.55 119.43 3a1v h SER 104 Ca -0.23 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3a1v h SER 104 Cb 1.06 0.37 0.00 0.00 0.14 0.00 0.00 62.40 63.98 3a1v h SER 104 CO 1.12 -0.29 0.00 1.62 -1.14 0.00 0.00 176.83 178.14 3a1v h VAL 105 N -0.27 0.00 -1.72 2.27 3.04 -1.92 -3.29 116.25 114.36 3a1v h VAL 105 Ca 0.13 -0.17 -0.44 0.00 -1.01 0.00 0.00 66.70 65.21 3a1v h VAL 105 Cb 0.47 0.93 -0.30 0.00 -2.01 0.00 0.00 31.29 30.38 3a1v h VAL 105 CO -0.38 0.00 -0.83 0.59 -1.01 0.00 0.00 177.57 175.94 3a1v n ASN 106 N -2.57 -1.36 -0.03 3.17 3.02 -0.53 -5.01 115.26 111.95 3a1v n ASN 106 Ca -0.00 -2.66 0.14 0.00 -0.03 0.00 0.00 54.58 52.03 3a1v n ASN 106 Cb 0.15 0.25 0.67 0.00 -0.61 0.00 0.00 39.78 40.25 3a1v n ASN 106 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3a1v n PRO 107 N 2.50 0.39 0.09 3.52 -0.04 -0.69 -4.44 135.00 136.32 3a1v n PRO 107 Ca 0.23 -0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 3a1v n PRO 107 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3a1v n PRO 107 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3a1v h GLU 108 N 0.14 -0.27 -0.98 0.54 9.09 -1.93 0.25 114.58 121.41 3a1v h GLU 108 Ca 0.00 0.02 0.09 0.00 0.05 0.00 0.00 59.36 59.52 3a1v h GLU 108 Cb 0.35 0.06 -0.07 0.00 -1.65 0.00 0.00 28.75 27.44 3a1v h GLU 108 CO 0.00 -0.18 0.63 1.96 0.05 0.00 0.00 179.01 181.47 3a1v h GLN 109 N -0.28 1.03 -0.57 1.06 4.20 -1.98 -0.82 115.11 117.75 3a1v h GLN 109 Ca -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3a1v h GLN 109 Cb 0.24 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3a1v h GLN 109 CO -0.01 0.68 0.36 0.77 -0.67 0.00 0.00 178.83 179.97 3a1v h SER 110 N 1.07 0.67 0.16 1.46 0.02 -1.75 -1.64 113.55 113.53 3a1v h SER 110 Ca 0.45 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.27 3a1v h SER 110 Cb 0.31 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3a1v h SER 110 CO -0.20 0.51 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.59 3a1v h LEU 111 N 0.77 0.26 0.30 5.07 4.07 0.44 -0.10 115.31 126.13 3a1v h LEU 111 Ca 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3a1v h LEU 111 Cb -0.06 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.61 3a1v h LEU 111 CO -0.04 0.59 -0.14 0.22 -1.08 0.00 0.00 178.44 177.99 3a1v h TYR 112 N 0.23 -0.37 -0.60 1.13 5.03 -0.77 -1.77 116.97 119.85 3a1v h TYR 112 Ca 0.03 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.37 3a1v h TYR 112 Cb 0.70 0.12 -0.04 0.00 1.55 0.00 0.00 36.73 39.06 3a1v h TYR 112 CO 0.01 -0.14 0.35 1.25 -1.32 0.00 0.00 178.16 178.31 3a1v h LEU 113 N -0.54 0.54 -0.86 2.82 5.85 -1.17 -2.40 115.31 119.56 3a1v h LEU 113 Ca -0.04 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.87 3a1v h LEU 113 Cb 0.40 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.22 3a1v h LEU 113 CO 0.07 0.37 0.41 0.25 -0.34 0.00 0.00 178.44 179.20 3a1v h LEU 114 N 0.67 0.42 -0.30 2.25 5.85 -0.80 -1.27 115.31 122.14 3a1v h LEU 114 Ca 0.25 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 59.05 3a1v h LEU 114 Cb 0.08 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3a1v h LEU 114 CO -0.13 0.11 0.03 -0.07 -0.34 0.00 0.00 178.44 178.05 3a1v h LEU 115 N 0.51 0.48 -1.49 2.25 3.38 -0.81 -0.59 115.31 119.04 3a1v h LEU 115 Ca 0.50 -0.27 0.12 0.00 0.09 0.00 0.00 57.88 58.32 3a1v h LEU 115 Cb 0.83 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 3a1v h LEU 115 CO -0.44 0.64 0.50 -0.08 0.09 0.00 0.00 178.44 179.14 3a1v h GLU 116 N 0.31 0.52 0.20 1.13 4.81 -1.02 -2.05 114.58 118.48 3a1v h GLU 116 Ca 0.09 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 58.96 3a1v h GLU 116 Cb 0.37 -0.12 0.03 0.00 0.63 0.00 0.00 28.75 29.67 3a1v h GLU 116 CO 0.01 0.34 -1.39 0.82 -0.73 0.00 0.00 179.01 178.06 3a1v h ILE 117 N 0.54 1.29 0.00 2.32 2.04 -0.96 -3.30 117.51 119.43 3a1v h ILE 117 Ca 0.36 -2.61 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 3a1v h ILE 117 Cb 0.67 2.90 -0.00 0.00 -0.74 0.00 0.00 36.82 39.65 3a1v h ILE 117 CO -0.13 0.79 -0.06 -0.07 0.00 0.00 0.00 178.15 178.68 3a1v h LEU 118 N 0.20 0.00 0.00 1.44 3.38 -0.41 0.56 115.31 120.49 3a1v h LEU 118 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3a1v h LEU 118 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 3a1v h LEU 118 CO 0.26 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 178.23 3a1v n GLU 119 N -4.22 0.92 0.04 1.13 1.02 -1.01 -3.26 120.64 115.26 3a1v n GLU 119 Ca -0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 3a1v n GLU 119 Cb 0.15 -1.35 0.27 0.00 -0.02 0.00 0.00 31.44 30.48 3a1v n GLU 119 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3a1v n MET 120 N -0.85 0.17 -2.97 3.49 2.81 0.19 -4.37 117.12 115.59 3a1v n MET 120 Ca 0.16 0.06 -0.11 0.00 -1.81 0.00 0.00 57.70 56.00 3a1v n MET 120 Cb 0.07 -1.62 0.04 0.00 -0.71 0.00 0.00 33.22 31.00 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 -1.87 -3.58 -5.07 0.03 1.02 -1.20 -4.60 120.64 105.37 3a1v n GLU 121 Ca 0.05 0.38 -0.28 0.00 -0.02 0.00 0.00 57.16 57.28 3a1v n GLU 121 Cb 0.40 -4.04 -0.16 0.00 -0.02 0.00 0.00 31.44 27.62 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 -5.50 1.91 -0.10 3.49 -0.14 -1.26 -5.06 119.74 113.08 3a1v s LYS 122 Ca 0.24 -0.77 -0.32 0.00 -1.36 0.00 0.00 55.97 53.76 3a1v s LYS 122 Cb -0.11 -1.76 -0.10 0.00 -1.68 0.00 0.00 37.83 34.18 3a1v s LYS 122 CO 0.33 0.42 2.00 0.36 -0.76 0.00 0.00 175.35 177.70 3a1v n LYS 123 N 2.72 2.25 -4.51 1.68 2.85 -1.26 -4.89 118.16 117.00 3a1v n LYS 123 Ca -0.16 0.78 -0.26 0.00 -1.05 0.00 0.00 58.31 57.62 3a1v n LYS 123 Cb 0.52 -2.84 -0.13 0.00 -0.65 0.00 0.00 35.03 31.93 3a1v n LYS 123 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3a1v s VAL 124 N 5.24 1.88 -0.05 0.58 1.01 -1.26 0.01 120.40 127.81 3a1v s VAL 124 Ca 0.95 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3a1v s VAL 124 Cb -0.57 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.19 3a1v s VAL 124 CO 0.46 0.12 0.09 -0.63 0.00 0.00 0.00 175.10 175.13 3a1v s ILE 125 N -0.98 -0.13 -0.08 2.22 1.01 0.73 -4.38 121.20 119.59 3a1v s ILE 125 Ca 0.09 0.35 -0.04 0.00 0.00 0.00 0.00 60.65 61.05 3a1v s ILE 125 Cb -0.10 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 3a1v s ILE 125 CO 0.04 0.15 0.10 -1.48 0.00 0.00 0.00 174.94 173.74 3a1v s LEU 126 N 1.90 4.10 -0.16 2.97 2.34 -1.20 -1.33 118.68 127.30 3a1v s LEU 126 Ca 0.01 0.31 -0.01 0.00 0.06 0.00 0.00 54.13 54.50 3a1v s LEU 126 Cb -0.12 -2.11 -0.01 0.00 -0.56 0.00 0.00 46.19 43.39 3a1v s LEU 126 CO -0.04 0.36 -0.11 0.00 -1.06 0.00 0.00 176.35 175.50 3a1v s ALA 127 N -1.06 2.66 0.14 1.48 0.00 0.15 -2.20 121.76 122.93 3a1v s ALA 127 Ca 0.17 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3a1v s ALA 127 Cb -0.12 -1.36 -0.11 0.00 0.00 0.00 0.00 23.12 21.52 3a1v s ALA 127 CO 0.07 0.00 1.31 1.98 0.00 0.00 0.00 175.76 179.12 3a1v h MET 128 N 7.21 0.14 -6.61 0.00 4.05 -1.27 0.17 114.93 118.62 3a1v h MET 128 Ca -0.32 -0.19 -0.42 0.00 -0.28 0.00 0.00 59.70 58.49 3a1v h MET 128 Cb 1.19 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 32.07 3a1v h MET 128 CO 0.58 1.01 -1.16 0.25 0.23 0.00 0.00 176.91 177.82 3a1v n THR 129 N -3.54 -3.83 0.00 -0.77 -2.24 -1.16 -1.56 114.28 101.17 3a1v n THR 129 Ca -0.03 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3a1v n THR 129 Cb 0.89 -3.39 0.00 0.00 -2.10 0.00 0.00 70.33 65.73 3a1v n THR 129 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3a1v n LYS 135 N -1.07 0.00 0.00 -0.78 4.76 -1.26 -4.32 118.16 115.49 3a1v n LYS 135 Ca -0.17 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.32 3a1v n LYS 135 Cb 0.69 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 34.12 3a1v n LYS 135 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3a1v n LYS 136 N 0.00 0.05 -0.01 1.97 -0.00 -1.26 -1.82 118.16 117.09 3a1v n LYS 136 Ca 0.00 0.27 0.11 0.00 -0.00 0.00 0.00 58.31 58.69 3a1v n LYS 136 Cb 0.00 -1.50 -0.16 0.00 -0.00 0.00 0.00 35.03 33.37 3a1v n LYS 136 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3a1v n THR 137 N -1.44 0.00 0.00 0.58 -2.24 -1.26 -4.99 114.28 104.94 3a1v n THR 137 Ca 0.03 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3a1v n THR 137 Cb 0.11 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.32 2.42 3.67 3.38 0.00 -0.76 -5.07 105.19 110.15 3a1v n GLY 138 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3a1v n GLY 138 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3a1v n MET 139 N -1.32 1.71 -4.24 1.61 3.85 -1.26 -5.00 117.12 112.47 3a1v n MET 139 Ca 0.00 0.61 -0.33 0.00 -1.00 0.00 0.00 57.70 56.98 3a1v n MET 139 Cb 0.00 -2.28 -0.16 0.00 -1.05 0.00 0.00 33.22 29.73 3a1v n MET 139 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3a1v s LYS 140 N -2.18 3.01 -0.25 3.17 3.01 -1.26 -4.73 119.74 120.50 3a1v s LYS 140 Ca 0.62 -0.83 -0.07 0.00 -1.01 0.00 0.00 55.97 54.68 3a1v s LYS 140 Cb -0.52 -2.55 -0.02 0.00 -1.01 0.00 0.00 37.83 33.73 3a1v s LYS 140 CO 0.57 -0.16 0.07 0.42 0.51 0.00 0.00 175.35 176.76 3a1v s ILE 141 N 1.18 4.25 -1.09 2.17 1.01 -1.26 -4.77 121.20 122.70 3a1v s ILE 141 Ca 0.02 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 3a1v s ILE 141 Cb -0.14 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.37 3a1v s ILE 141 CO -0.10 0.31 1.55 -1.81 0.00 0.00 0.00 174.94 174.89 3a1v s ASP 142 N 1.60 6.51 0.65 3.58 1.11 -1.26 -4.82 116.67 124.03 3a1v s ASP 142 Ca 0.06 -1.67 0.31 0.00 0.18 0.00 0.00 52.55 51.43 3a1v s ASP 142 Cb -0.15 -2.57 1.67 0.00 1.07 0.00 0.00 42.92 42.94 3a1v s ASP 142 CO 0.03 -1.50 1.97 0.03 1.18 0.00 0.00 175.17 176.88 3a1v h ARG 143 N 9.32 0.00 0.10 8.23 2.47 -1.97 0.35 114.38 132.88 3a1v h ARG 143 Ca 0.26 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.70 3a1v h ARG 143 Cb 0.97 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.29 3a1v h ARG 143 CO 1.43 0.00 -1.31 0.10 0.56 0.00 0.00 179.97 180.75 3a1v h TYR 144 N 0.00 0.39 -0.29 3.04 -0.00 -1.99 -3.35 116.97 114.77 3a1v h TYR 144 Ca 0.04 -0.28 -0.02 0.00 -0.00 0.00 0.00 58.73 58.46 3a1v h TYR 144 Cb 0.67 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.38 3a1v h TYR 144 CO 0.00 1.26 0.09 1.05 -0.00 0.00 0.00 178.16 180.55 3a1v h GLU 145 N 0.06 0.46 -0.24 0.10 -0.00 -0.63 -3.17 114.58 111.16 3a1v h GLU 145 Ca -0.15 -0.10 0.03 0.00 -0.00 0.00 0.00 59.36 59.14 3a1v h GLU 145 Cb 1.96 -0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 30.61 3a1v h GLU 145 CO 0.18 0.51 0.05 -0.07 -0.00 0.00 0.00 179.01 179.68 3a1v h LEU 146 N 0.31 0.01 -1.10 3.06 3.38 -1.67 -1.58 115.31 117.73 3a1v h LEU 146 Ca 0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3a1v h LEU 146 Cb 0.25 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3a1v h LEU 146 CO -0.00 0.04 0.00 1.67 0.09 0.00 0.00 178.44 180.24 3a1v n GLN 147 N -5.08 0.13 0.13 1.13 7.27 -1.20 -2.07 117.38 117.69 3a1v n GLN 147 Ca -0.02 0.57 -0.06 0.00 0.07 0.00 0.00 57.00 57.56 3a1v n GLN 147 Cb 0.10 -1.88 -0.03 0.00 2.41 0.00 0.00 30.24 30.84 3a1v n GLN 147 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3a1v h LYS 148 N 0.00 -0.38 -0.25 3.69 1.57 -1.26 -2.63 116.57 117.31 3a1v h LYS 148 Ca 0.00 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3a1v h LYS 148 Cb 0.08 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3a1v h LYS 148 CO 0.00 -0.25 -0.07 1.12 -0.57 0.00 0.00 179.45 179.68 3a1v h HIS 149 N -0.91 0.56 -0.21 -1.35 -0.00 -1.57 -3.29 115.15 108.37 3a1v h HIS 149 Ca -0.04 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.37 60.17 3a1v h HIS 149 Cb 0.30 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 3a1v h HIS 149 CO 0.02 0.72 0.00 -0.07 -0.00 0.00 0.00 177.93 178.60 3a1v h LEU 150 N 0.24 0.37 0.00 6.12 3.38 -1.59 -3.47 115.31 120.36 3a1v h LEU 150 Ca 0.06 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3a1v h LEU 150 Cb 0.54 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3a1v h LEU 150 CO 0.03 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.75 3a1v n GLY 151 N -0.33 0.65 3.06 0.83 0.00 -0.99 -4.86 105.19 103.56 3a1v n GLY 151 Ca -0.04 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 0.17 0.39 -0.61 -5.25 -1.26 -3.43 121.20 109.21 3a1v s ILE 152 Ca 0.00 -1.42 -0.24 0.00 -0.99 0.00 0.00 60.65 58.00 3a1v s ILE 152 Cb 0.00 -1.05 -0.12 0.00 2.95 0.00 0.00 42.46 44.24 3a1v s ILE 152 CO 0.00 -0.78 0.75 -2.65 -1.79 0.00 0.00 174.94 170.47 3a1v n PRO 153 N 0.65 0.87 -4.06 0.37 -0.02 -1.26 -4.64 135.00 126.90 3a1v n PRO 153 Ca -0.18 0.31 -0.16 0.00 -2.02 0.00 0.00 63.50 61.45 3a1v n PRO 153 Cb 0.59 -1.68 -0.15 0.00 -0.02 0.00 0.00 33.50 32.24 3a1v n PRO 153 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a1v s VAL 154 N -1.32 0.31 -0.01 -1.45 1.01 -1.26 -3.26 120.40 114.42 3a1v s VAL 154 Ca 0.63 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 3a1v s VAL 154 Cb -0.62 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 3a1v s VAL 154 CO 0.58 0.13 0.08 -0.69 0.00 0.00 0.00 175.10 175.19 3a1v s VAL 155 N 0.39 0.06 -0.14 2.92 1.01 -0.94 -5.03 120.40 118.67 3a1v s VAL 155 Ca -0.04 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 3a1v s VAL 155 Cb -0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3a1v s VAL 155 CO -0.01 -0.25 0.11 0.72 0.00 0.00 0.00 175.10 175.68 3a1v s PHE 156 N -0.81 3.47 0.48 5.22 -0.71 -1.26 -1.06 117.98 123.31 3a1v s PHE 156 Ca -0.09 0.39 0.00 0.00 -1.04 0.00 0.00 56.93 56.20 3a1v s PHE 156 Cb -0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 43.02 39.76 3a1v s PHE 156 CO 0.00 0.53 0.02 -2.37 -1.34 0.00 0.00 175.22 172.07 3a1v n THR 157 N 2.56 0.00 -3.92 -4.49 5.66 -1.25 -3.66 114.28 109.17 3a1v n THR 157 Ca -0.18 -2.25 -0.08 0.00 -3.05 0.00 0.00 64.05 58.49 3a1v n THR 157 Cb 0.54 0.42 -0.03 0.00 -1.55 0.00 0.00 70.33 69.71 3a1v n THR 157 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 3a1v s SER 158 N -3.65 -0.14 -0.62 1.09 0.01 -1.26 -3.01 113.70 106.13 3a1v s SER 158 Ca 0.02 -0.80 -0.26 0.00 1.31 0.00 0.00 55.95 56.21 3a1v s SER 158 Cb -0.00 0.67 -0.06 0.00 0.21 0.00 0.00 66.02 66.84 3a1v s SER 158 CO 0.01 -1.28 2.19 -0.94 0.41 0.00 0.00 173.24 173.63 3a1v s SER 159 N -2.98 4.69 0.00 2.44 1.04 -1.26 -3.82 113.70 113.80 3a1v s SER 159 Ca 0.17 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.11 3a1v s SER 159 Cb -0.04 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.56 3a1v s SER 159 CO 0.09 -2.86 0.00 1.33 0.98 0.00 0.00 173.24 172.78 3a1v n VAL 160 N 7.85 0.00 0.23 5.02 0.24 -1.26 -4.74 118.33 125.68 3a1v n VAL 160 Ca 0.33 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.81 3a1v n VAL 160 Cb 0.52 0.00 0.87 0.00 -1.47 0.00 0.00 33.84 33.75 3a1v n VAL 160 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3a1v h THR 161 N 0.00 0.40 -0.59 3.34 1.35 -1.98 -3.44 112.91 111.98 3a1v h THR 161 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.60 3a1v h THR 161 Cb 0.00 0.85 -0.10 0.00 -1.73 0.00 0.00 68.15 67.17 3a1v h THR 161 CO 0.00 0.00 -0.23 0.61 -0.25 0.00 0.00 175.52 175.65 3a1v n GLY 162 N -1.36 1.22 3.77 5.82 0.00 -1.26 -4.94 105.19 108.44 3a1v n GLY 162 Ca 0.01 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3a1v n GLY 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a1v s GLU 163 N -3.00 4.38 0.00 1.61 4.04 -1.26 -3.41 118.70 121.07 3a1v s GLU 163 Ca 0.00 1.66 0.00 0.00 0.04 0.00 0.00 54.97 56.67 3a1v s GLU 163 Cb 0.00 -2.85 0.00 0.00 0.02 0.00 0.00 34.13 31.30 3a1v s GLU 163 CO 0.00 0.02 0.00 0.41 -1.84 0.00 0.00 175.26 173.85 3a1v n GLY 164 N 0.77 2.27 0.45 -3.83 0.00 -1.24 -3.90 105.19 99.71 3a1v n GLY 164 Ca 0.02 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.33 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 0.32 0.13 0.99 -0.00 -1.78 0.81 115.31 115.76 3a1v h LEU 165 Ca 0.00 0.08 -0.22 0.00 -0.00 0.00 0.00 57.88 57.74 3a1v h LEU 165 Cb 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 40.66 40.70 3a1v h LEU 165 CO 0.00 0.01 -1.07 -0.33 -0.00 0.00 0.00 178.44 177.05 3a1v h GLU 166 N 0.25 0.27 -0.69 1.13 4.39 -1.87 -2.69 114.58 115.37 3a1v h GLU 166 Ca 0.64 -0.45 0.11 0.00 0.34 0.00 0.00 59.36 60.00 3a1v h GLU 166 Cb 1.91 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 30.68 3a1v h GLU 166 CO -0.27 1.22 0.46 0.93 -1.16 0.00 0.00 179.01 180.19 3a1v h GLU 167 N -0.37 0.50 0.35 2.33 3.07 -1.33 -0.21 114.58 118.92 3a1v h GLU 167 Ca -0.21 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 3a1v h GLU 167 Cb 1.68 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.48 3a1v h GLU 167 CO 0.10 0.33 -0.17 1.37 -1.40 0.00 0.00 179.01 179.25 3a1v h LEU 168 N 0.52 -0.39 -0.83 1.33 8.10 0.46 0.13 115.31 124.62 3a1v h LEU 168 Ca 0.32 -0.16 0.17 0.00 0.11 0.00 0.00 57.88 58.32 3a1v h LEU 168 Cb 0.57 0.10 -0.10 0.00 -0.44 0.00 0.00 40.66 40.78 3a1v h LEU 168 CO -0.11 -0.00 0.37 0.07 -4.11 0.00 0.00 178.44 174.66 3a1v h LYS 169 N -0.85 0.47 -0.45 0.17 2.10 -1.08 0.51 116.57 117.46 3a1v h LYS 169 Ca -0.05 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 3a1v h LYS 169 Cb 0.53 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 3a1v h LYS 169 CO 0.08 0.31 -0.25 1.49 -2.00 0.00 0.00 179.45 179.08 3a1v h GLU 170 N 0.49 0.95 -0.34 0.07 4.81 -1.02 -2.51 114.58 117.04 3a1v h GLU 170 Ca 0.48 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3a1v h GLU 170 Cb 0.77 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3a1v h GLU 170 CO -0.43 1.10 0.07 0.87 -0.73 0.00 0.00 179.01 179.89 3a1v h LYS 171 N 0.79 0.49 0.75 1.92 1.57 0.16 -1.84 116.57 120.41 3a1v h LYS 171 Ca 0.10 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3a1v h LYS 171 Cb 0.83 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.06 3a1v h LYS 171 CO 0.07 0.46 -0.36 0.82 -0.57 0.00 0.00 179.45 179.87 3a1v h ILE 172 N 0.48 0.00 -0.72 1.86 2.04 0.21 -1.73 117.51 119.65 3a1v h ILE 172 Ca 0.11 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3a1v h ILE 172 Cb 0.20 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 3a1v h ILE 172 CO -0.00 0.00 0.48 -0.37 0.00 0.00 0.00 178.15 178.25 3a1v h VAL 173 N -1.17 1.19 -0.51 1.67 -1.51 -1.42 0.52 116.25 115.02 3a1v h VAL 173 Ca -0.10 -0.34 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 3a1v h VAL 173 Cb 0.77 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.04 3a1v h VAL 173 CO 0.17 0.18 0.24 -0.08 -1.23 0.00 0.00 177.57 176.85 3a1v h GLU 174 N 0.98 0.74 -0.37 5.19 4.81 -1.36 -0.54 114.58 124.04 3a1v h GLU 174 Ca 0.26 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 3a1v h GLU 174 Cb -0.11 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3a1v h GLU 174 CO -0.06 0.63 -0.38 -0.92 -0.73 0.00 0.00 179.01 177.54 3a1v h TYR 175 N 0.68 1.06 -0.16 0.92 5.03 -0.37 -1.10 116.97 123.03 3a1v h TYR 175 Ca 0.17 -0.31 -0.05 0.00 2.58 0.00 0.00 58.73 61.12 3a1v h TYR 175 Cb 0.14 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 3a1v h TYR 175 CO -0.00 1.12 -0.15 0.00 -1.32 0.00 0.00 178.16 177.82 3a1v h ALA 176 N 0.83 1.47 0.06 1.82 0.00 0.28 -1.55 119.26 122.16 3a1v h ALA 176 Ca 0.06 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 3a1v h ALA 176 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3a1v h ALA 176 CO 0.09 0.38 -1.07 -0.56 0.00 0.00 0.00 179.25 178.09 3a1v h GLN 177 N 0.24 0.17 -6.62 0.00 -0.00 -1.02 -3.45 115.11 104.42 3a1v h GLN 177 Ca 0.05 -0.25 -0.57 0.00 -0.00 0.00 0.00 58.65 57.87 3a1v h GLN 177 Cb 0.41 0.09 0.08 0.00 -0.00 0.00 0.00 27.48 28.06 3a1v h GLN 177 CO 0.02 1.08 0.70 0.36 -0.00 0.00 0.00 178.83 181.00 3a1v n LYS 178 N -3.51 2.20 0.09 0.06 -0.00 -0.43 -4.92 118.16 111.66 3a1v n LYS 178 Ca -0.05 0.79 -0.22 0.00 -0.00 0.00 0.00 58.31 58.83 3a1v n LYS 178 Cb 0.94 -2.49 -0.14 0.00 -0.00 0.00 0.00 35.03 33.35 3a1v n LYS 178 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 3a1v h ASN 179 N 4.62 0.80 -0.51 -5.58 -0.00 -1.88 -3.48 115.58 109.54 3a1v h ASN 179 Ca -0.45 -0.85 -0.61 0.00 -0.00 0.00 0.00 56.30 54.38 3a1v h ASN 179 Cb 1.26 -0.25 -0.08 0.00 -0.00 0.00 0.00 38.32 39.25 3a1v h ASN 179 CO 0.79 1.57 -0.37 0.42 -0.00 0.00 0.00 177.43 179.83 3a1v s THR 180 N -2.88 1.50 0.38 -3.57 -4.23 -1.26 -5.13 115.64 100.45 3a1v s THR 180 Ca -0.10 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 3a1v s THR 180 Cb 0.04 -2.16 -0.06 0.00 1.34 0.00 0.00 72.50 71.66 3a1v s THR 180 CO 0.91 0.00 0.72 -0.63 -0.54 0.00 0.00 174.62 175.08 3a1v s ILE 181 N -2.80 4.84 -0.09 2.99 1.01 -1.26 -5.01 121.20 120.88 3a1v s ILE 181 Ca 0.25 0.49 0.15 0.00 0.00 0.00 0.00 60.65 61.54 3a1v s ILE 181 Cb -0.01 -3.73 -0.15 0.00 0.01 0.00 0.00 42.46 38.58 3a1v s ILE 181 CO 0.15 -0.47 0.83 -0.07 0.00 0.00 0.00 174.94 175.38 3a1v h LEU 182 N 1.37 0.00 -9.53 2.97 3.38 -1.98 -3.47 115.31 108.05 3a1v h LEU 182 Ca -0.47 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.92 3a1v h LEU 182 Cb 1.19 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.83 3a1v h LEU 182 CO 0.64 0.71 -0.65 -1.38 0.09 0.00 0.00 178.44 177.85 3a1v s HIS 183 N -2.82 2.77 -0.42 1.13 -3.43 -1.22 -4.89 115.29 106.40 3a1v s HIS 183 Ca -0.03 -0.18 0.11 0.00 -0.80 0.00 0.00 55.06 54.16 3a1v s HIS 183 Cb 0.08 -1.29 0.39 0.00 -1.43 0.00 0.00 32.58 30.34 3a1v s HIS 183 CO 0.81 0.56 0.91 0.54 -2.00 0.00 0.00 174.74 175.56 3a1v n ARG 184 N -0.51 1.98 -1.53 -0.38 1.74 -1.26 -5.08 116.66 111.62 3a1v n ARG 184 Ca -0.08 -3.88 -0.37 0.00 -0.77 0.00 0.00 57.85 52.74 3a1v n ARG 184 Cb 0.57 -1.80 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 3a1v n ARG 184 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3a1v n MET 185 N -0.07 0.71 -3.51 5.56 1.56 -1.26 -4.86 117.12 115.25 3a1v n MET 185 Ca 0.25 -0.02 -0.31 0.00 -0.27 0.00 0.00 57.70 57.35 3a1v n MET 185 Cb 0.64 -2.85 -0.07 0.00 2.15 0.00 0.00 33.22 33.09 3a1v n MET 185 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 3a1v n ILE 186 N 7.85 2.77 -2.17 1.12 3.06 -1.26 -4.82 119.36 125.91 3a1v n ILE 186 Ca 0.46 -5.23 -0.43 0.00 -2.50 0.00 0.00 62.75 55.05 3a1v n ILE 186 Cb 0.39 -2.17 -0.02 0.00 0.54 0.00 0.00 39.64 38.37 3a1v n ILE 186 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3a1v s LEU 187 N -2.10 4.00 0.17 9.51 2.96 -1.26 -4.98 118.68 126.98 3a1v s LEU 187 Ca 0.33 1.68 -0.30 0.00 -0.22 0.00 0.00 54.13 55.62 3a1v s LEU 187 Cb 0.05 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 3a1v s LEU 187 CO -0.05 -1.12 1.07 -0.62 -1.32 0.00 0.00 176.35 174.31 3a1v s ASP 188 N 3.62 7.32 0.00 3.68 -1.08 -1.26 -4.95 116.67 124.01 3a1v s ASP 188 Ca 0.68 2.03 0.11 0.00 -0.52 0.00 0.00 52.55 54.84 3a1v s ASP 188 Cb -0.25 -2.60 0.06 0.00 -1.46 0.00 0.00 42.92 38.67 3a1v s ASP 188 CO 0.27 -0.18 0.78 -1.22 0.52 0.00 0.00 175.17 175.33 3a1v n TYR 189 N 2.43 0.00 0.00 -5.34 4.01 -1.26 -5.07 117.16 111.93 3a1v n TYR 189 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3a1v n TYR 189 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.69 3.16 0.10 2.72 0.00 -1.26 -4.70 105.19 105.91 3a1v n GLY 190 Ca 0.06 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 3a1v n GLY 190 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3a1v h GLU 191 N 0.00 -0.03 0.30 1.61 4.11 -1.98 -1.19 114.58 117.39 3a1v h GLU 191 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3a1v h GLU 191 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3a1v h GLU 191 CO 0.00 -0.02 -0.15 -0.22 0.07 0.00 0.00 179.01 178.69 3a1v h LYS 192 N -0.03 -0.40 0.45 1.06 1.63 -1.99 -1.42 116.57 115.87 3a1v h LYS 192 Ca 0.07 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 3a1v h LYS 192 Cb 0.14 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3a1v h LYS 192 CO -0.15 -0.26 -0.22 0.28 -3.45 0.00 0.00 179.45 175.65 3a1v h VAL 193 N -0.41 0.56 -0.82 2.00 2.07 -1.82 -2.13 116.25 115.70 3a1v h VAL 193 Ca -0.04 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.47 3a1v h VAL 193 Cb 0.32 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3a1v h VAL 193 CO 0.07 0.02 0.53 -0.33 0.02 0.00 0.00 177.57 177.87 3a1v h GLU 194 N -0.65 0.83 -0.50 1.57 4.39 -1.24 0.21 114.58 119.18 3a1v h GLU 194 Ca -0.06 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.62 3a1v h GLU 194 Cb 0.49 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 3a1v h GLU 194 CO 0.10 0.55 0.29 1.03 -1.16 0.00 0.00 179.01 179.82 3a1v h SER 195 N 0.85 0.47 0.17 1.42 0.87 -1.07 -0.84 113.55 115.41 3a1v h SER 195 Ca 0.36 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.79 3a1v h SER 195 Cb 0.30 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3a1v h SER 195 CO -0.13 0.33 -0.52 -0.33 -0.53 0.00 0.00 176.83 175.64 3a1v h GLU 196 N 0.58 0.39 -0.17 2.24 4.39 -0.29 -2.66 114.58 119.06 3a1v h GLU 196 Ca 0.21 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3a1v h GLU 196 Cb 0.04 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3a1v h GLU 196 CO -0.10 0.82 0.09 0.82 -1.16 0.00 0.00 179.01 179.48 3a1v h ILE 197 N 0.31 1.10 -0.85 3.13 2.04 -0.31 -2.22 117.51 120.72 3a1v h ILE 197 Ca 0.01 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3a1v h ILE 197 Cb 1.02 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3a1v h ILE 197 CO 0.09 0.10 0.55 0.11 0.00 0.00 0.00 178.15 178.99 3a1v h LYS 198 N 0.17 1.12 -0.30 2.37 1.57 -1.06 0.14 116.57 120.58 3a1v h LYS 198 Ca 0.06 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3a1v h LYS 198 Cb 0.07 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3a1v h LYS 198 CO -0.01 0.76 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.31 3a1v h LYS 199 N 1.15 0.51 -0.01 3.15 3.64 -1.28 -1.83 116.57 121.90 3a1v h LYS 199 Ca 0.31 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3a1v h LYS 199 Cb -0.11 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3a1v h LYS 199 CO -0.06 0.61 -0.33 0.28 -2.27 0.00 0.00 179.45 177.68 3a1v h VAL 200 N 0.47 1.51 -0.78 2.00 2.07 -0.70 -3.04 116.25 117.78 3a1v h VAL 200 Ca 0.09 -1.96 0.13 0.00 0.82 0.00 0.00 66.70 65.78 3a1v h VAL 200 Cb 0.46 2.70 -0.09 0.00 -1.52 0.00 0.00 31.29 32.85 3a1v h VAL 200 CO 0.03 0.55 0.35 -0.33 0.02 0.00 0.00 177.57 178.19 3a1v h GLU 201 N -0.40 0.51 -0.13 1.57 5.08 -0.62 -0.84 114.58 119.76 3a1v h GLU 201 Ca -0.04 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3a1v h GLU 201 Cb 1.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3a1v h GLU 201 CO 0.07 0.34 -0.33 -0.91 -1.00 0.00 0.00 179.01 177.17 3a1v h ASN 202 N 0.53 0.27 0.35 1.42 2.35 -1.41 -2.35 115.58 116.74 3a1v h ASN 202 Ca 0.42 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.94 3a1v h ASN 202 Cb 0.59 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3a1v h ASN 202 CO -0.37 0.60 -0.54 0.15 -1.65 0.00 0.00 177.43 175.62 3a1v h PHE 203 N 0.23 0.25 -0.02 1.19 3.04 -1.11 -2.81 116.94 117.72 3a1v h PHE 203 Ca 0.03 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.89 3a1v h PHE 203 Cb 0.70 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.16 3a1v h PHE 203 CO 0.01 0.70 0.00 1.28 -2.02 0.00 0.00 178.31 178.28 3a1v n LEU 204 N -3.92 0.62 0.20 0.59 4.77 -0.44 -4.09 117.00 114.72 3a1v n LEU 204 Ca -0.02 -0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 3a1v n LEU 204 Cb 0.57 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 3a1v n LEU 204 CO 0.43 0.11 0.75 0.03 -1.33 0.00 0.00 177.39 177.38 3a1v h ARG 205 N 0.93 -0.42 -0.39 3.23 2.47 -1.16 -3.06 114.38 115.98 3a1v h ARG 205 Ca 0.00 0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.60 3a1v h ARG 205 Cb 0.20 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 3a1v h ARG 205 CO 0.00 -0.26 -0.35 0.38 0.56 0.00 0.00 179.97 180.30 3a1v h ASP 206 N -0.47 0.96 -4.05 7.04 3.04 -1.78 -3.45 116.42 117.71 3a1v h ASP 206 Ca -0.04 -0.42 -0.53 0.00 -3.24 0.00 0.00 57.03 52.79 3a1v h ASP 206 Cb 0.35 -0.27 0.11 0.00 -1.04 0.00 0.00 39.33 38.49 3a1v h ASP 206 CO 0.07 1.20 0.54 -1.59 -2.04 0.00 0.00 179.24 177.43 3a1v s LYS 207 N -4.44 3.25 0.14 4.15 0.00 -1.16 -5.02 119.74 116.66 3a1v s LYS 207 Ca -0.11 2.01 -0.10 0.00 0.00 0.00 0.00 55.97 57.77 3a1v s LYS 207 Cb 0.12 -2.21 -0.06 0.00 0.00 0.00 0.00 37.83 35.67 3a1v s LYS 207 CO 0.87 -1.03 0.46 -1.59 0.00 0.00 0.00 175.35 174.07 3a1v s LYS 208 N -2.96 3.80 -0.05 1.78 0.00 -1.26 -4.94 119.74 116.12 3a1v s LYS 208 Ca 0.71 0.23 -0.31 0.00 0.00 0.00 0.00 55.97 56.61 3a1v s LYS 208 Cb -0.35 -2.88 0.07 0.00 0.00 0.00 0.00 37.83 34.67 3a1v s LYS 208 CO 0.41 0.47 0.69 -1.17 0.00 0.00 0.00 175.35 175.75 3a1v s LEU 209 N -2.23 -0.64 -0.01 2.77 1.98 -1.26 -5.04 118.68 114.25 3a1v s LEU 209 Ca 0.38 0.67 0.14 0.00 -2.89 0.00 0.00 54.13 52.43 3a1v s LEU 209 Cb -0.13 2.51 0.42 0.00 0.66 0.00 0.00 46.19 49.65 3a1v s LEU 209 CO 0.20 -0.62 1.33 -1.14 -1.89 0.00 0.00 176.35 174.24 3a1v n ARG 210 N 0.84 2.20 -3.79 1.98 0.63 -1.26 -4.89 116.66 112.37 3a1v n ARG 210 Ca -0.19 -1.69 -0.13 0.00 -0.92 0.00 0.00 57.85 54.92 3a1v n ARG 210 Cb 0.57 -1.42 -0.10 0.00 0.45 0.00 0.00 32.46 31.97 3a1v n ARG 210 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3a1v s ILE 211 N -1.45 0.05 0.16 5.15 1.10 -1.26 -5.00 121.20 119.94 3a1v s ILE 211 Ca 0.31 -0.39 -0.33 0.00 -0.51 0.00 0.00 60.65 59.73 3a1v s ILE 211 Cb 0.17 -0.51 -0.13 0.00 0.15 0.00 0.00 42.46 42.14 3a1v s ILE 211 CO 0.20 -0.21 1.65 -0.46 -2.11 0.00 0.00 174.94 174.01 3a1v n ASN 212 N 1.80 3.43 0.05 4.50 6.94 -1.26 -4.82 115.26 125.89 3a1v n ASN 212 Ca -0.19 1.06 0.21 0.00 -0.02 0.00 0.00 54.58 55.64 3a1v n ASN 212 Cb 0.56 -1.47 0.73 0.00 -2.36 0.00 0.00 39.78 37.24 3a1v n ASN 212 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3a1v h PRO 213 N 6.52 0.00 -0.02 -0.53 0.13 -1.96 -1.58 132.00 134.55 3a1v h PRO 213 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3a1v h PRO 213 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3a1v h PRO 213 CO 0.92 0.00 -0.01 -0.09 -0.23 0.00 0.00 178.00 178.58 3a1v h ARG 214 N 0.00 0.05 -0.90 0.86 2.43 -1.93 0.73 114.38 115.62 3a1v h ARG 214 Ca 0.22 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.46 3a1v h ARG 214 Cb 1.03 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 3a1v h ARG 214 CO -0.00 0.48 0.55 -0.92 -1.51 0.00 0.00 179.97 178.56 3a1v h TYR 215 N -0.38 1.00 -0.17 2.20 3.20 -1.50 -0.37 116.97 120.95 3a1v h TYR 215 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3a1v h TYR 215 Cb 0.47 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3a1v h TYR 215 CO 0.08 0.45 0.04 0.35 -1.64 0.00 0.00 178.16 177.44 3a1v h PHE 216 N 0.94 0.08 -0.23 -3.82 3.04 -1.27 -2.26 116.94 113.41 3a1v h PHE 216 Ca 0.42 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.42 3a1v h PHE 216 Cb 0.31 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 3a1v h PHE 216 CO -0.03 0.03 -0.04 0.00 -2.02 0.00 0.00 178.31 176.25 3a1v h ALA 217 N 1.12 0.17 0.02 2.41 0.00 0.49 0.50 119.26 123.97 3a1v h ALA 217 Ca 0.08 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3a1v h ALA 217 Cb 0.06 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3a1v h ALA 217 CO -0.09 -0.46 -0.24 -0.07 0.00 0.00 0.00 179.25 178.39 3a1v h LEU 218 N 0.02 -0.69 -0.56 0.00 3.38 -0.93 0.16 115.31 116.69 3a1v h LEU 218 Ca 0.11 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3a1v h LEU 218 Cb 0.16 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3a1v h LEU 218 CO -0.23 -0.31 0.23 0.11 0.09 0.00 0.00 178.44 178.34 3a1v h LYS 219 N -0.38 0.82 -0.09 1.13 1.79 -1.15 -0.78 116.57 117.92 3a1v h LYS 219 Ca 0.05 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 3a1v h LYS 219 Cb 0.45 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3a1v h LYS 219 CO -0.20 0.71 0.00 -0.92 -1.08 0.00 0.00 179.45 177.96 3a1v h TYR 220 N 0.76 -0.00 -0.27 -1.35 5.03 -0.68 -0.98 116.97 119.48 3a1v h TYR 220 Ca 0.19 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 3a1v h TYR 220 Cb 0.18 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 3a1v h TYR 220 CO 0.01 -0.01 0.13 -0.07 -1.32 0.00 0.00 178.16 176.89 3a1v h LEU 221 N 0.03 0.32 -0.46 2.82 3.38 -0.43 -1.81 115.31 119.17 3a1v h LEU 221 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a1v h LEU 221 Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3a1v h LEU 221 CO -0.07 0.28 0.00 -1.20 0.09 0.00 0.00 178.44 177.55 3a1v n SER 222 N -4.45 0.71 -0.77 -0.43 7.64 -0.32 -4.18 113.62 111.82 3a1v n SER 222 Ca 0.01 -1.27 -0.07 0.00 1.01 0.00 0.00 58.87 58.55 3a1v n SER 222 Cb 0.11 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.07 0.16 3.64 0.23 0.00 -0.68 -4.58 105.19 105.03 3a1v n GLY 223 Ca 0.21 -0.61 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 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 0.68 2.31 -0.02 1.61 2.03 -0.42 -4.77 116.55 117.96 3a1v n ASP 224 Ca -0.08 1.14 0.17 0.00 0.52 0.00 0.00 54.79 56.54 3a1v n ASP 224 Cb 0.53 -1.36 0.62 0.00 -0.72 0.00 0.00 41.12 40.20 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 3.99 0.13 0.00 -0.67 0.11 -1.91 0.32 132.00 133.98 3a1v h PRO 225 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3a1v h PRO 225 Cb 1.30 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3a1v h PRO 225 CO 0.74 0.09 -0.42 1.49 -0.21 0.00 0.00 178.00 179.70 3a1v h GLU 226 N 0.14 0.00 -0.17 1.05 4.81 -1.88 -3.32 114.58 115.20 3a1v h GLU 226 Ca 0.26 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3a1v h GLU 226 Cb 0.83 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3a1v h GLU 226 CO -0.03 0.05 -0.31 0.74 -0.73 0.00 0.00 179.01 178.73 3a1v h PHE 227 N -1.00 0.39 -0.10 0.92 0.04 -1.86 -0.40 116.94 114.92 3a1v h PHE 227 Ca -0.01 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 3a1v h PHE 227 Cb 0.43 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 3a1v h PHE 227 CO -0.15 0.63 -0.06 -0.92 -0.60 0.00 0.00 178.31 177.21 3a1v h TYR 228 N 0.30 0.26 -0.93 -0.55 3.20 -1.14 -0.18 116.97 117.93 3a1v h TYR 228 Ca 0.04 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3a1v h TYR 228 Cb 0.70 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3a1v h TYR 228 CO 0.02 0.59 0.54 1.03 -1.64 0.00 0.00 178.16 178.69 3a1v h SER 229 N -0.14 1.13 0.19 -2.11 0.87 -1.63 -2.33 113.55 109.53 3a1v h SER 229 Ca 0.02 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 3a1v h SER 229 Cb 0.52 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3a1v h SER 229 CO 0.02 0.88 -0.54 -0.08 -0.53 0.00 0.00 176.83 176.58 3a1v h GLU 230 N 1.29 0.38 0.12 2.24 4.57 -1.05 -2.72 114.58 119.41 3a1v h GLU 230 Ca 0.33 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3a1v h GLU 230 Cb -0.02 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3a1v h GLU 230 CO -0.06 0.82 -0.06 0.78 -1.18 0.00 0.00 179.01 179.32 3a1v h GLY 231 N 1.25 -0.17 1.55 1.92 0.00 -0.53 -1.77 103.07 105.32 3a1v h GLY 231 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3a1v h GLY 231 CO 0.09 -0.06 0.26 -2.08 0.00 0.00 0.00 176.54 174.75 3a1v h VAL 232 N -0.23 1.13 -0.33 4.60 2.07 -1.44 -1.41 116.25 120.63 3a1v h VAL 232 Ca -0.02 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3a1v h VAL 232 Cb 0.19 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3a1v h VAL 232 CO 0.03 0.14 -0.06 0.11 0.02 0.00 0.00 177.57 177.81 3a1v h LYS 233 N 0.61 0.53 -0.01 1.57 1.57 -1.14 -2.81 116.57 116.89 3a1v h LYS 233 Ca 0.16 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 3a1v h LYS 233 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3a1v h LYS 233 CO -0.03 0.60 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.56 3a1v h LEU 234 N 0.50 0.24 0.00 2.94 3.38 -0.41 -3.47 115.31 118.48 3a1v h LEU 234 Ca 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3a1v h LEU 234 Cb 0.41 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3a1v h LEU 234 CO 0.02 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.12 3a1v n GLY 235 N 0.76 0.01 3.74 0.83 0.00 -0.84 -5.12 105.19 104.56 3a1v n GLY 235 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 3.51 0.46 0.99 1.43 -0.67 -4.95 118.68 119.45 3a1v s LEU 236 Ca 0.00 2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 55.27 3a1v s LEU 236 Cb 0.00 -4.60 -0.07 0.00 0.03 0.00 0.00 46.19 41.55 3a1v s LEU 236 CO 0.00 -1.92 1.26 -2.84 0.23 0.00 0.00 176.35 173.08 3a1v s PRO 237 N -3.59 3.69 0.73 1.29 0.02 -1.26 -4.18 135.00 131.70 3a1v s PRO 237 Ca 0.77 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 63.67 3a1v s PRO 237 Cb -0.31 -2.50 0.04 0.00 0.02 0.00 0.00 34.50 31.75 3a1v s PRO 237 CO 0.39 -0.68 1.14 -1.21 -0.33 0.00 0.00 177.00 176.31 3a1v s GLU 238 N -2.58 2.29 0.15 5.54 2.02 -1.26 -4.80 118.70 120.06 3a1v s GLU 238 Ca 0.63 1.50 0.10 0.00 0.02 0.00 0.00 54.97 57.22 3a1v s GLU 238 Cb -0.35 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 3a1v s GLU 238 CO 0.43 -1.67 -0.22 -0.51 0.02 0.00 0.00 175.26 173.31 3a1v s LEU 239 N -5.32 2.38 0.79 1.80 1.43 -1.26 -5.13 118.68 113.36 3a1v s LEU 239 Ca 0.68 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3a1v s LEU 239 Cb -0.23 -1.03 0.07 0.00 0.03 0.00 0.00 46.19 45.03 3a1v s LEU 239 CO 0.47 0.08 1.09 -0.94 0.23 0.00 0.00 176.35 177.28 3a1v s SER 240 N -2.36 4.37 0.28 2.29 1.04 -1.26 -4.91 113.70 113.16 3a1v s SER 240 Ca 0.15 1.68 -0.00 0.00 0.48 0.00 0.00 55.95 58.25 3a1v s SER 240 Cb -0.08 -2.40 0.42 0.00 0.10 0.00 0.00 66.02 64.06 3a1v s SER 240 CO 0.07 -2.10 1.81 -0.33 0.98 0.00 0.00 173.24 173.68 3a1v h GLU 241 N -1.17 0.76 -0.05 4.02 5.08 -2.00 -2.71 114.58 118.50 3a1v h GLU 241 Ca -0.45 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 3a1v h GLU 241 Cb 1.24 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3a1v h GLU 241 CO 0.53 0.73 0.00 0.93 -1.00 0.00 0.00 179.01 180.20 3a1v h GLU 242 N 0.72 0.09 -0.18 2.33 3.07 -1.99 -2.53 114.58 116.09 3a1v h GLU 242 Ca 0.15 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.03 3a1v h GLU 242 Cb 0.35 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.20 3a1v h GLU 242 CO 0.01 0.37 -0.19 0.93 -1.40 0.00 0.00 179.01 178.73 3a1v h GLU 243 N -0.19 -0.20 -0.66 2.33 5.08 -1.91 0.12 114.58 119.14 3a1v h GLU 243 Ca 0.02 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3a1v h GLU 243 Cb 0.32 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3a1v h GLU 243 CO 0.00 -0.14 0.35 0.00 -1.00 0.00 0.00 179.01 178.23 3a1v h ARG 244 N -0.21 0.62 -0.07 2.33 3.08 -1.49 0.32 114.38 118.96 3a1v h ARG 244 Ca 0.12 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3a1v h ARG 244 Cb 0.39 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3a1v h ARG 244 CO -0.31 0.41 0.03 0.82 -1.07 0.00 0.00 179.97 179.86 3a1v h ILE 245 N 0.64 1.09 -0.33 2.04 2.04 -0.96 -1.70 117.51 120.33 3a1v h ILE 245 Ca 0.31 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3a1v h ILE 245 Cb 0.24 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3a1v h ILE 245 CO -0.21 0.08 -0.01 1.23 0.00 0.00 0.00 178.15 179.24 3a1v h GLY 246 N 0.00 0.31 0.96 5.37 0.00 -0.12 -0.19 103.07 109.40 3a1v h GLY 246 Ca 0.02 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.41 3a1v h GLY 246 CO -0.00 -0.08 0.04 -0.97 0.00 0.00 0.00 176.54 175.53 3a1v h TYR 247 N 0.08 0.08 0.19 5.60 0.05 -0.87 0.19 116.97 122.29 3a1v h TYR 247 Ca 0.16 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.95 3a1v h TYR 247 Cb 0.22 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 3a1v h TYR 247 CO -0.25 0.05 -0.22 -0.09 -1.05 0.00 0.00 178.16 176.60 3a1v h ARG 248 N 0.10 -0.44 -0.38 4.88 2.43 -0.97 0.20 114.38 120.20 3a1v h ARG 248 Ca 0.04 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3a1v h ARG 248 Cb 0.01 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 3a1v h ARG 248 CO -0.03 -0.29 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.07 3a1v h LEU 249 N -0.46 -0.16 -0.12 3.80 3.38 -0.92 0.69 115.31 121.52 3a1v h LEU 249 Ca 0.01 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3a1v h LEU 249 Cb 0.44 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3a1v h LEU 249 CO -0.08 -0.04 0.08 0.25 0.09 0.00 0.00 178.44 178.74 3a1v h LEU 250 N 0.10 0.14 -0.81 1.67 6.46 -0.64 0.36 115.31 122.58 3a1v h LEU 250 Ca 0.18 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3a1v h LEU 250 Cb 0.26 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 3a1v h LEU 250 CO -0.31 0.10 0.46 0.40 -0.62 0.00 0.00 178.44 178.47 3a1v h ILE 251 N 0.16 1.23 -0.18 4.05 2.04 -0.20 -2.14 117.51 122.48 3a1v h ILE 251 Ca 0.04 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3a1v h ILE 251 Cb -0.02 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3a1v h ILE 251 CO -0.01 0.26 0.02 0.00 0.00 0.00 0.00 178.15 178.41 3a1v h ALA 252 N 1.25 0.24 -0.53 1.87 0.00 -0.57 -2.67 119.26 118.84 3a1v h ALA 252 Ca 0.29 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3a1v h ALA 252 Cb 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.62 3a1v h ALA 252 CO -0.05 -0.07 -0.18 -0.22 0.00 0.00 0.00 179.25 178.73 3a1v h LYS 253 N 0.09 -0.05 -0.02 0.00 3.64 0.16 0.18 116.57 120.56 3a1v h LYS 253 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3a1v h LYS 253 Cb 0.33 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3a1v h LYS 253 CO 0.01 -0.03 0.01 0.00 -2.27 0.00 0.00 179.45 177.16 3a1v h ARG 254 N -0.05 0.03 -0.43 1.90 3.08 -1.40 -0.04 114.38 117.47 3a1v h ARG 254 Ca 0.25 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.39 3a1v h ARG 254 Cb 0.44 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 3a1v h ARG 254 CO -0.58 0.12 -0.16 0.87 -1.07 0.00 0.00 179.97 179.16 3a1v h LYS 255 N -0.06 -0.06 0.25 0.04 1.57 -0.97 0.50 116.57 117.83 3a1v h LYS 255 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3a1v h LYS 255 Cb 0.10 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3a1v h LYS 255 CO -0.00 -0.04 -0.22 0.00 -0.57 0.00 0.00 179.45 178.61 3a1v h ARG 256 N -0.07 -0.47 -0.44 3.15 2.47 -0.45 0.14 114.38 118.71 3a1v h ARG 256 Ca 0.21 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 59.02 3a1v h ARG 256 Cb 0.39 0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.76 3a1v h ARG 256 CO -0.48 -0.32 0.15 1.05 0.56 0.00 0.00 179.97 180.93 3a1v h GLU 257 N -0.49 0.30 -0.76 0.04 9.09 -0.44 -0.79 114.58 121.53 3a1v h GLU 257 Ca -0.01 -0.02 0.06 0.00 0.05 0.00 0.00 59.36 59.45 3a1v h GLU 257 Cb 0.45 -0.07 -0.06 0.00 -1.65 0.00 0.00 28.75 27.42 3a1v h GLU 257 CO -0.04 0.20 0.45 -0.92 0.05 0.00 0.00 179.01 178.75 3a1v h TYR 258 N 0.31 0.82 0.63 2.06 3.20 0.34 -0.70 116.97 123.63 3a1v h TYR 258 Ca 0.21 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3a1v h TYR 258 Cb 0.21 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3a1v h TYR 258 CO -0.16 0.40 -0.48 0.28 -1.64 0.00 0.00 178.16 176.55 3a1v h VAL 259 N 0.81 0.04 -1.00 1.81 2.07 0.25 -2.01 116.25 118.23 3a1v h VAL 259 Ca 0.34 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.12 3a1v h VAL 259 Cb 0.20 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 29.88 3a1v h VAL 259 CO -0.18 0.00 0.58 -0.33 0.02 0.00 0.00 177.57 177.65 3a1v h GLU 260 N -1.07 0.49 0.32 1.57 5.08 -0.75 0.61 114.58 120.83 3a1v h GLU 260 Ca -0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3a1v h GLU 260 Cb 0.90 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3a1v h GLU 260 CO 0.02 0.33 -0.44 -0.97 -1.00 0.00 0.00 179.01 176.94 3a1v h ASN 261 N 0.51 -1.24 -0.99 1.42 -0.73 -0.63 -1.57 115.58 112.35 3a1v h ASN 261 Ca 0.66 0.12 0.06 0.00 1.87 0.00 0.00 56.30 59.01 3a1v h ASN 261 Cb 1.33 0.43 -0.06 0.00 0.27 0.00 0.00 38.32 40.29 3a1v h ASN 261 CO -0.51 -0.56 0.64 0.58 -0.37 0.00 0.00 177.43 177.20 3a1v h VAL 262 N -0.81 1.10 -0.42 2.57 2.07 -0.32 -0.76 116.25 119.68 3a1v h VAL 262 Ca -0.02 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3a1v h VAL 262 Cb 0.75 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3a1v h VAL 262 CO -0.14 0.21 0.28 0.58 0.02 0.00 0.00 177.57 178.53 3a1v h VAL 263 N 1.17 0.95 -0.02 2.57 2.07 -0.63 -1.96 116.25 120.40 3a1v h VAL 263 Ca 0.42 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.82 3a1v h VAL 263 Cb 0.13 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3a1v h VAL 263 CO -0.16 0.06 -0.02 0.11 0.02 0.00 0.00 177.57 177.58 3a1v h LYS 264 N 0.32 0.05 -4.11 1.57 6.56 -0.14 -3.33 116.57 117.49 3a1v h LYS 264 Ca 0.18 -0.03 -0.72 0.00 -1.06 0.00 0.00 60.65 59.03 3a1v h LYS 264 Cb 0.33 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.92 3a1v h LYS 264 CO -0.04 0.51 2.84 0.39 -2.06 0.00 0.00 179.45 181.09 3a1v n GLU 265 N -4.82 3.02 0.00 3.15 1.02 -0.74 -5.13 120.64 117.14 3a1v n GLU 265 Ca -0.08 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.22 3a1v n GLU 265 Cb 0.26 -3.25 0.00 0.00 -0.02 0.00 0.00 31.44 28.43 3a1v n GLU 265 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31