#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1s s HIS 15 N 0.00 3.50 0.00 -1.77 3.76 -1.26 -4.98 115.29 114.54 3a1s s HIS 15 Ca 0.00 0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 3a1s s HIS 15 Cb 0.00 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.85 3a1s s HIS 15 CO 0.00 0.51 0.00 0.28 -0.85 0.00 0.00 174.74 174.68 3a1s n VAL 17 N 0.08 0.00 -3.47 -0.90 0.31 -0.16 0.20 118.33 114.39 3a1s n VAL 17 Ca -0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.91 3a1s n VAL 17 Cb 0.52 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.37 3a1s n VAL 17 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3a1s s LYS 18 N 0.00 4.15 -0.07 5.55 2.20 -1.26 -0.80 119.74 129.50 3a1s s LYS 18 Ca 0.00 0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 3a1s s LYS 18 Cb 0.00 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 3a1s s LYS 18 CO 0.00 -0.00 -0.15 0.08 -0.36 0.00 0.00 175.35 174.92 3a1s s VAL 19 N 1.22 1.33 -0.10 4.02 1.01 0.15 -0.00 120.40 128.02 3a1s s VAL 19 Ca 0.16 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3a1s s VAL 19 Cb -0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3a1s s VAL 19 CO 0.07 0.40 0.24 0.00 0.00 0.00 0.00 175.10 175.81 3a1s s ALA 20 N 0.62 3.77 -0.38 5.51 0.00 -0.81 -0.95 121.76 129.52 3a1s s ALA 20 Ca -0.15 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 3a1s s ALA 20 Cb -0.16 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3a1s s ALA 20 CO 0.04 0.46 0.27 -0.51 0.00 0.00 0.00 175.76 176.03 3a1s s LEU 21 N -0.72 4.83 0.11 0.00 1.43 0.03 -0.44 118.68 123.92 3a1s s LEU 21 Ca 0.17 -0.67 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3a1s s LEU 21 Cb -0.13 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3a1s s LEU 21 CO 0.06 -0.35 -0.04 0.00 0.23 0.00 0.00 176.35 176.26 3a1s s ALA 22 N 1.70 3.15 0.00 4.21 0.00 -0.23 -1.27 121.76 129.32 3a1s s ALA 22 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3a1s s ALA 22 Cb -0.18 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3a1s s ALA 22 CO 0.10 0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.93 3a1s n GLY 23 N 0.54 1.26 3.73 0.00 0.00 -1.26 -0.53 105.19 108.93 3a1s n GLY 23 Ca -0.12 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 3a1s n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1s n PRO 25 N -3.80 1.68 -3.17 0.00 -0.02 -1.26 -3.65 135.00 124.77 3a1s n PRO 25 Ca 0.08 0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 3a1s n PRO 25 Cb 0.54 -2.57 0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3a1s n PRO 25 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3a1s n ASN 26 N -0.99 -5.43 -0.00 2.55 5.15 -1.26 -4.91 115.26 110.37 3a1s n ASN 26 Ca 0.10 -0.35 0.07 0.00 -0.60 0.00 0.00 54.58 53.81 3a1s n ASN 26 Cb 0.45 -4.13 -0.09 0.00 -0.53 0.00 0.00 39.78 35.47 3a1s n ASN 26 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3a1s n VAL 27 N -4.42 0.00 0.00 3.44 0.24 -1.24 -4.98 118.33 111.37 3a1s n VAL 27 Ca -0.03 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3a1s n VAL 27 Cb 0.57 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 3a1s n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1s n GLY 28 N 1.38 1.55 0.11 7.63 0.00 -1.26 -4.17 105.19 110.43 3a1s n GLY 28 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3a1s n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1s h LYS 29 N 0.24 -0.16 -0.66 1.61 1.57 -1.92 -1.73 116.57 115.52 3a1s h LYS 29 Ca 0.00 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3a1s h LYS 29 Cb 0.00 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 3a1s h LYS 29 CO 0.00 0.07 0.37 1.15 -0.57 0.00 0.00 179.45 180.47 3a1s h THR 30 N -0.38 0.97 -0.51 -0.16 2.02 -1.98 0.11 112.91 112.98 3a1s h THR 30 Ca -0.02 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 3a1s h THR 30 Cb 0.31 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3a1s h THR 30 CO 0.03 0.12 0.14 0.28 0.37 0.00 0.00 175.52 176.46 3a1s h SER 31 N 0.68 0.75 -0.40 4.18 0.02 -1.97 0.42 113.55 117.23 3a1s h SER 31 Ca 0.30 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3a1s h SER 31 Cb 0.19 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3a1s h SER 31 CO -0.18 0.77 0.03 0.25 -1.14 0.00 0.00 176.83 176.56 3a1s h LEU 32 N 0.69 0.67 -0.24 5.07 5.85 -0.95 0.08 115.31 126.48 3a1s h LEU 32 Ca 0.16 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3a1s h LEU 32 Cb 0.30 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3a1s h LEU 32 CO -0.00 0.78 -0.13 0.15 -0.34 0.00 0.00 178.44 178.90 3a1s h PHE 33 N 0.52 -0.33 -0.66 1.25 3.04 -0.57 -1.12 116.94 119.09 3a1s h PHE 33 Ca 0.12 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 3a1s h PHE 33 Cb 0.42 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 3a1s h PHE 33 CO 0.03 -0.20 0.33 -0.91 -2.02 0.00 0.00 178.31 175.54 3a1s h ASN 34 N -0.11 0.85 -0.29 0.41 2.35 -0.73 -0.59 115.58 117.47 3a1s h ASN 34 Ca 0.13 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3a1s h ASN 34 Cb 0.31 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3a1s h ASN 34 CO -0.31 0.73 0.11 0.00 -1.65 0.00 0.00 177.43 176.30 3a1s h ALA 35 N 1.15 1.52 0.15 -0.83 0.00 -0.56 0.10 119.26 120.79 3a1s h ALA 35 Ca 0.23 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.69 3a1s h ALA 35 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3a1s h ALA 35 CO -0.03 0.36 -1.52 -0.07 0.00 0.00 0.00 179.25 177.99 3a1s h LEU 36 N 0.51 0.49 0.00 0.00 3.38 -0.92 -3.40 115.31 115.38 3a1s h LEU 36 Ca 0.12 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3a1s h LEU 36 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3a1s h LEU 36 CO -0.01 1.53 -1.48 0.35 0.09 0.00 0.00 178.44 178.92 3a1s n THR 37 N -3.52 0.00 0.00 0.22 -2.24 -0.25 -4.68 114.28 103.80 3a1s n THR 37 Ca -0.17 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3a1s n THR 37 Cb 1.05 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 3a1s n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1s n GLY 38 N 1.50 3.68 0.32 3.38 0.00 0.35 -1.47 105.19 112.97 3a1s n GLY 38 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3a1s n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a1s n THR 39 N 0.00 0.00 -2.12 2.61 -2.24 -1.26 -4.58 114.28 106.68 3a1s n THR 39 Ca 0.00 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3a1s n THR 39 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3a1s n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3a1s n LYS 40 N -0.30 3.61 -3.80 -0.78 4.01 -0.54 -4.89 118.16 115.48 3a1s n LYS 40 Ca 0.17 -3.28 -0.10 0.00 -0.51 0.00 0.00 58.31 54.60 3a1s n LYS 40 Cb 0.32 -2.95 -0.07 0.00 -0.51 0.00 0.00 35.03 31.82 3a1s n LYS 40 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 3a1s s GLN 41 N 0.78 0.85 0.17 1.97 -2.07 -1.26 -1.54 119.66 118.56 3a1s s GLN 41 Ca 0.44 -0.80 -0.15 0.00 -1.82 0.00 0.00 55.36 53.03 3a1s s GLN 41 Cb 0.12 0.36 0.02 0.00 -1.09 0.00 0.00 33.01 32.42 3a1s s GLN 41 CO -0.03 -0.28 0.43 1.52 -1.32 0.00 0.00 175.29 175.61 3a1s s TYR 42 N -3.46 -0.03 0.13 9.60 1.13 0.15 -4.99 117.35 119.89 3a1s s TYR 42 Ca 0.02 -0.32 0.10 0.00 -1.41 0.00 0.00 57.07 55.45 3a1s s TYR 42 Cb 0.03 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 3a1s s TYR 42 CO -0.09 -0.80 -0.23 0.14 -2.51 0.00 0.00 175.55 172.05 3a1s s VAL 43 N -3.87 1.98 0.00 -3.49 -7.23 -1.26 -1.46 120.40 105.06 3a1s s VAL 43 Ca 0.09 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 3a1s s VAL 43 Cb 0.01 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.15 3a1s s VAL 43 CO -0.05 -0.04 0.00 0.00 -0.31 0.00 0.00 175.10 174.70 3a1s n ALA 44 N 0.86 0.00 -2.41 1.32 0.00 -0.05 -4.97 120.51 115.26 3a1s n ALA 44 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 3a1s n ALA 44 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 3a1s n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a1s s ASN 45 N 1.64 3.33 0.44 0.00 4.22 -1.26 -0.50 114.94 122.80 3a1s s ASN 45 Ca 0.00 -0.80 -0.23 0.00 -2.14 0.00 0.00 52.86 49.68 3a1s s ASN 45 Cb 0.00 -0.23 -0.08 0.00 1.28 0.00 0.00 41.25 42.22 3a1s s ASN 45 CO 0.00 0.15 1.16 0.26 -2.04 0.00 0.00 177.10 176.62 3a1s s TRP 46 N -1.34 2.95 0.09 1.54 0.52 -0.06 -4.65 118.94 117.99 3a1s s TRP 46 Ca 0.17 1.55 -0.36 0.00 0.02 0.00 0.00 56.10 57.48 3a1s s TRP 46 Cb -0.09 -3.36 -0.15 0.00 -1.15 0.00 0.00 33.47 28.71 3a1s s TRP 46 CO 0.08 -1.40 1.47 -2.30 0.02 0.00 0.00 176.95 174.82 3a1s n PRO 47 N -0.33 1.57 -0.40 4.98 -0.02 -1.26 -2.02 135.00 137.51 3a1s n PRO 47 Ca 0.06 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3a1s n PRO 47 Cb 0.48 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3a1s n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1s n GLY 48 N 3.01 1.99 3.45 -1.23 0.00 -1.26 -4.97 105.19 106.18 3a1s n GLY 48 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3a1s n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1s s VAL 49 N -3.22 1.10 -2.65 1.61 -7.23 -0.86 -5.04 120.40 104.10 3a1s s VAL 49 Ca 0.00 -2.00 0.25 0.00 -1.81 0.00 0.00 61.98 58.42 3a1s s VAL 49 Cb 0.00 -2.74 0.29 0.00 0.56 0.00 0.00 36.38 34.49 3a1s s VAL 49 CO 0.00 0.00 1.42 0.35 -0.31 0.00 0.00 175.10 176.56 3a1s n THR 50 N -0.70 0.00 -1.99 5.32 -2.24 -1.26 -4.25 114.28 109.15 3a1s n THR 50 Ca -0.03 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 3a1s n THR 50 Cb 0.66 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 3a1s n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3a1s s VAL 51 N -2.08 2.83 0.25 2.28 1.01 -1.26 -4.86 120.40 118.56 3a1s s VAL 51 Ca 0.30 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 3a1s s VAL 51 Cb 0.20 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 3a1s s VAL 51 CO 0.35 0.04 1.32 -0.70 0.00 0.00 0.00 175.10 176.11 3a1s s GLU 52 N 1.29 4.37 -0.16 2.72 2.12 -1.26 -0.88 118.70 126.90 3a1s s GLU 52 Ca 0.69 2.13 -0.02 0.00 0.36 0.00 0.00 54.97 58.13 3a1s s GLU 52 Cb -0.42 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 3a1s s GLU 52 CO 0.31 -0.24 -0.08 0.21 -0.54 0.00 0.00 175.26 174.92 3a1s s LYS 53 N -0.72 3.45 -0.15 4.30 2.20 0.34 -4.70 119.74 124.46 3a1s s LYS 53 Ca 0.54 -0.63 -0.02 0.00 -0.36 0.00 0.00 55.97 55.51 3a1s s LYS 53 Cb -0.38 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3a1s s LYS 53 CO 0.43 0.10 -0.09 0.21 -0.36 0.00 0.00 175.35 175.65 3a1s s LYS 54 N 0.67 3.46 0.09 4.03 2.20 -1.26 -0.87 119.74 128.06 3a1s s LYS 54 Ca -0.04 -0.63 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 3a1s s LYS 54 Cb -0.15 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 3a1s s LYS 54 CO 0.02 0.14 -0.13 -1.21 -0.36 0.00 0.00 175.35 173.82 3a1s s GLU 55 N 0.56 0.88 0.26 4.03 2.02 -0.54 -1.66 118.70 124.25 3a1s s GLU 55 Ca -0.06 -1.10 -0.13 0.00 0.02 0.00 0.00 54.97 53.71 3a1s s GLU 55 Cb -0.15 -0.74 -0.00 0.00 0.10 0.00 0.00 34.13 33.34 3a1s s GLU 55 CO 0.03 0.14 0.51 0.20 0.02 0.00 0.00 175.26 176.16 3a1s s GLY 56 N -2.17 0.55 -0.00 -1.39 0.00 0.26 -0.67 107.32 103.90 3a1s s GLY 56 Ca 0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.83 3a1s s GLY 56 CO 0.02 -0.60 0.08 -1.34 0.00 0.00 0.00 173.10 171.26 3a1s s VAL 57 N -3.89 0.07 0.11 1.40 -7.23 -0.59 -0.00 120.40 110.28 3a1s s VAL 57 Ca 0.22 -0.61 -0.09 0.00 -1.81 0.00 0.00 61.98 59.69 3a1s s VAL 57 Cb -0.01 -0.32 -0.00 0.00 0.56 0.00 0.00 36.38 36.60 3a1s s VAL 57 CO 0.10 -0.34 0.23 0.72 -0.31 0.00 0.00 175.10 175.50 3a1s s PHE 58 N -1.11 0.19 -0.02 2.82 -0.71 -0.60 -4.69 117.98 113.86 3a1s s PHE 58 Ca -0.12 -0.59 0.03 0.00 -1.04 0.00 0.00 56.93 55.21 3a1s s PHE 58 Cb -0.07 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 3a1s s PHE 58 CO 0.01 -0.60 -0.11 -0.08 -1.34 0.00 0.00 175.22 173.10 3a1s s THR 59 N -3.88 3.35 -0.19 -4.49 -1.32 -1.26 -0.29 115.64 107.56 3a1s s THR 59 Ca 0.08 -0.76 -0.06 0.00 -1.21 0.00 0.00 61.69 59.74 3a1s s THR 59 Cb 0.04 -2.39 0.09 0.00 -1.51 0.00 0.00 72.50 68.73 3a1s s THR 59 CO -0.08 0.49 0.38 -0.47 -2.21 0.00 0.00 174.62 172.73 3a1s s TYR 60 N -0.86 -0.72 -1.56 9.09 5.04 -0.03 -4.93 117.35 123.38 3a1s s TYR 60 Ca 0.14 1.37 -0.12 0.00 -2.44 0.00 0.00 57.07 56.02 3a1s s TYR 60 Cb -0.11 0.22 0.09 0.00 0.35 0.00 0.00 41.96 42.51 3a1s s TYR 60 CO 0.04 -0.47 0.77 1.63 -1.34 0.00 0.00 175.55 176.18 3a1s n LYS 61 N 5.38 -4.04 -0.04 4.97 5.02 -1.26 -1.08 118.16 127.11 3a1s n LYS 61 Ca -0.08 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3a1s n LYS 61 Cb 0.49 -5.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 3a1s n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1s n GLY 62 N -1.63 1.74 3.88 0.72 0.00 -1.26 -5.03 105.19 103.62 3a1s n GLY 62 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3a1s n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1s s TYR 63 N -2.64 3.48 -0.26 1.61 2.02 -0.24 -4.31 117.35 117.01 3a1s s TYR 63 Ca 0.00 0.74 -0.06 0.00 -0.37 0.00 0.00 57.07 57.38 3a1s s TYR 63 Cb 0.00 -2.15 -0.01 0.00 -0.40 0.00 0.00 41.96 39.41 3a1s s TYR 63 CO 0.00 0.38 0.04 0.99 -1.57 0.00 0.00 175.55 175.39 3a1s s THR 64 N -1.67 3.88 -0.26 -0.71 2.01 0.13 -0.85 115.64 118.17 3a1s s THR 64 Ca 0.42 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 3a1s s THR 64 Cb -0.12 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 3a1s s THR 64 CO 0.22 0.25 0.17 -0.63 -0.69 0.00 0.00 174.62 173.94 3a1s s ILE 65 N 1.52 5.30 -0.40 1.82 1.09 0.60 -0.99 121.20 130.14 3a1s s ILE 65 Ca 0.04 0.16 -0.14 0.00 -1.10 0.00 0.00 60.65 59.61 3a1s s ILE 65 Cb -0.16 -3.50 0.02 0.00 -1.06 0.00 0.00 42.46 37.76 3a1s s ILE 65 CO 0.01 0.30 0.28 0.21 -0.10 0.00 0.00 174.94 175.65 3a1s s ASN 66 N 1.39 6.06 -0.19 3.58 2.47 0.02 -1.55 114.94 126.72 3a1s s ASN 66 Ca 0.07 -0.86 -0.11 0.00 0.42 0.00 0.00 52.86 52.38 3a1s s ASN 66 Cb -0.15 -2.14 -0.05 0.00 -1.45 0.00 0.00 41.25 37.46 3a1s s ASN 66 CO 0.07 -0.42 0.17 -0.22 -3.72 0.00 0.00 177.10 172.98 3a1s s LEU 67 N 1.67 4.22 -0.17 3.21 2.96 1.00 -0.68 118.68 130.89 3a1s s LEU 67 Ca 0.05 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3a1s s LEU 67 Cb -0.19 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.38 3a1s s LEU 67 CO 0.10 0.17 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.50 3a1s s ILE 68 N 0.33 1.83 -0.26 6.68 1.09 -0.12 -0.58 121.20 130.17 3a1s s ILE 68 Ca 0.10 -0.85 -0.23 0.00 -1.10 0.00 0.00 60.65 58.57 3a1s s ILE 68 Cb -0.11 -1.71 -0.01 0.00 -1.06 0.00 0.00 42.46 39.57 3a1s s ILE 68 CO -0.01 0.45 0.77 -0.62 -0.10 0.00 0.00 174.94 175.43 3a1s s ASP 69 N 1.37 6.73 0.44 3.58 2.15 -0.67 -0.79 116.67 129.48 3a1s s ASP 69 Ca 0.04 0.86 -0.13 0.00 0.43 0.00 0.00 52.55 53.75 3a1s s ASP 69 Cb -0.14 -2.40 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 3a1s s ASP 69 CO -0.11 -0.50 0.84 -0.76 -0.17 0.00 0.00 175.17 174.47 3a1s s LEU 70 N 2.78 3.76 0.41 -1.34 1.43 -0.40 -4.36 118.68 120.96 3a1s s LEU 70 Ca 0.32 1.29 -0.25 0.00 -1.03 0.00 0.00 54.13 54.45 3a1s s LEU 70 Cb -0.15 -4.19 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 3a1s s LEU 70 CO 0.09 -0.46 1.18 -2.65 0.23 0.00 0.00 176.35 174.73 3a1s n PRO 71 N -1.38 1.73 -1.72 1.29 -0.02 -1.26 -4.82 135.00 128.81 3a1s n PRO 71 Ca 0.04 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 3a1s n PRO 71 Cb 0.54 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3a1s n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a1s n GLY 72 N 0.95 1.26 2.78 -1.23 0.00 -1.26 -4.71 105.19 102.98 3a1s n GLY 72 Ca 0.07 0.50 -0.19 0.00 0.00 0.00 0.00 46.02 46.41 3a1s n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a1s s THR 73 N 0.23 0.17 0.24 2.61 -4.23 -0.26 -4.61 115.64 109.79 3a1s s THR 73 Ca 0.67 0.15 0.04 0.00 -1.18 0.00 0.00 61.69 61.37 3a1s s THR 73 Cb -0.53 -0.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 3a1s s THR 73 CO 0.45 0.17 1.58 1.88 -0.54 0.00 0.00 174.62 178.17 3a1s h TYR 74 N 7.66 0.36 -3.49 3.99 0.05 -1.94 -3.24 116.97 120.35 3a1s h TYR 74 Ca -0.33 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.26 3a1s h TYR 74 Cb 1.13 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 38.74 3a1s h TYR 74 CO 0.50 0.78 0.01 -1.54 -1.05 0.00 0.00 178.16 176.85 3a1s s SER 75 N -6.89 0.10 -0.75 3.88 1.04 -1.26 -4.49 113.70 105.32 3a1s s SER 75 Ca -0.05 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.39 3a1s s SER 75 Cb 0.12 0.68 0.30 0.00 0.10 0.00 0.00 66.02 67.22 3a1s s SER 75 CO 0.80 -1.32 1.10 0.18 0.98 0.00 0.00 173.24 174.98 3a1s n LEU 76 N -0.46 5.01 0.00 2.42 4.77 -1.26 -4.88 117.00 122.60 3a1s n LEU 76 Ca -0.03 -5.49 0.00 0.00 -0.03 0.00 0.00 56.01 50.46 3a1s n LEU 76 Cb 0.61 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3a1s n LEU 76 CO 0.23 2.10 0.00 0.61 -1.33 0.00 0.00 177.39 179.01 3a1s n GLY 77 N 0.40 0.74 2.71 -0.72 0.00 -1.26 -5.02 105.19 102.04 3a1s n GLY 77 Ca 0.32 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 3a1s n GLY 77 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3a1s n TYR 78 N 0.00 -0.41 -0.29 1.61 9.36 -1.26 -4.44 117.16 121.73 3a1s n TYR 78 Ca 0.00 -2.20 0.00 0.00 3.32 0.00 0.00 57.90 59.02 3a1s n TYR 78 Cb 0.00 0.56 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3a1s n TYR 78 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3a1s n SER 79 N -0.62 1.35 -3.89 2.98 7.64 -1.26 -4.77 113.62 115.05 3a1s n SER 79 Ca 0.00 -1.64 -0.11 0.00 1.01 0.00 0.00 58.87 58.13 3a1s n SER 79 Cb 0.83 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.94 3a1s n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3a1s s SER 80 N -0.64 0.07 0.34 6.43 1.04 -1.26 -5.06 113.70 114.62 3a1s s SER 80 Ca 0.00 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.18 3a1s s SER 80 Cb 0.00 0.19 0.62 0.00 0.10 0.00 0.00 66.02 66.93 3a1s s SER 80 CO 0.00 -0.37 1.93 -0.29 0.98 0.00 0.00 173.24 175.48 3a1s h ILE 81 N 4.27 1.18 -0.61 -1.02 6.09 -1.99 -1.35 117.51 124.08 3a1s h ILE 81 Ca -0.31 -0.58 -0.05 0.00 -1.37 0.00 0.00 64.86 62.54 3a1s h ILE 81 Cb 1.20 0.68 -0.03 0.00 0.47 0.00 0.00 36.82 39.14 3a1s h ILE 81 CO 0.41 0.22 0.18 0.44 -3.07 0.00 0.00 178.15 176.33 3a1s h ASP 82 N 0.63 0.91 0.27 2.19 3.32 -1.97 0.30 116.42 122.07 3a1s h ASP 82 Ca 0.15 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 3a1s h ASP 82 Cb 0.17 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3a1s h ASP 82 CO -0.01 0.89 -0.58 -0.33 -1.72 0.00 0.00 179.24 177.49 3a1s h GLU 83 N 0.89 0.31 -0.23 3.56 5.08 -1.81 -1.93 114.58 120.45 3a1s h GLU 83 Ca 0.20 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3a1s h GLU 83 Cb 0.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3a1s h GLU 83 CO -0.00 0.80 0.07 0.87 -1.00 0.00 0.00 179.01 179.75 3a1s h LYS 84 N 0.24 0.35 0.10 2.33 1.57 -0.87 0.14 116.57 120.44 3a1s h LYS 84 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3a1s h LYS 84 Cb 1.08 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3a1s h LYS 84 CO 0.09 0.44 -0.05 0.82 -0.57 0.00 0.00 179.45 180.18 3a1s h ILE 85 N 0.20 0.95 -0.07 1.86 2.04 -0.89 0.16 117.51 121.76 3a1s h ILE 85 Ca 0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3a1s h ILE 85 Cb 0.23 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3a1s h ILE 85 CO -0.00 0.05 0.04 0.00 0.00 0.00 0.00 178.15 178.23 3a1s h ALA 86 N 0.66 0.09 -0.32 1.87 0.00 -1.33 -2.01 119.26 118.22 3a1s h ALA 86 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3a1s h ALA 86 Cb 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a1s h ALA 86 CO 0.02 -0.43 -0.44 -0.09 0.00 0.00 0.00 179.25 178.32 3a1s h ARG 87 N 0.08 0.86 -0.60 0.00 2.43 -0.93 -1.19 114.38 115.04 3a1s h ARG 87 Ca 0.03 -0.50 0.08 0.00 -0.81 0.00 0.00 59.98 58.78 3a1s h ARG 87 Cb 0.00 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 3a1s h ARG 87 CO -0.02 1.14 0.26 -0.44 -1.51 0.00 0.00 179.97 179.40 3a1s h ASP 88 N 0.65 0.32 -0.35 -3.80 3.32 -0.95 0.47 116.42 116.08 3a1s h ASP 88 Ca 0.04 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3a1s h ASP 88 Cb 1.04 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3a1s h ASP 88 CO 0.10 0.20 0.06 0.22 -1.72 0.00 0.00 179.24 178.10 3a1s h TYR 89 N 0.48 0.60 -0.65 4.55 3.20 -1.06 0.34 116.97 124.43 3a1s h TYR 89 Ca 0.29 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3a1s h TYR 89 Cb 0.30 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 3a1s h TYR 89 CO -0.14 0.63 0.30 -0.07 -1.64 0.00 0.00 178.16 177.24 3a1s h LEU 90 N 0.41 0.83 0.01 2.82 3.38 -0.80 0.24 115.31 122.20 3a1s h LEU 90 Ca 0.11 -0.09 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 3a1s h LEU 90 Cb 0.34 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3a1s h LEU 90 CO 0.01 0.71 -1.69 -0.07 0.09 0.00 0.00 178.44 177.49 3a1s h LEU 91 N 0.92 0.03 -0.86 1.67 3.38 -0.71 -3.41 115.31 116.34 3a1s h LEU 91 Ca 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3a1s h LEU 91 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3a1s h LEU 91 CO -0.03 1.06 0.00 0.29 0.09 0.00 0.00 178.44 179.86 3a1s n LYS 92 N -3.09 -0.51 -0.46 1.13 5.02 0.12 -4.95 118.16 115.42 3a1s n LYS 92 Ca -0.17 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.69 3a1s n LYS 92 Cb 1.05 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 3a1s n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1s n GLY 93 N -0.03 0.51 0.88 0.72 0.00 0.82 -4.96 105.19 103.14 3a1s n GLY 93 Ca 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.18 3a1s n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a1s n ASP 94 N -2.61 3.62 -4.75 1.61 5.75 -1.26 -4.99 116.55 113.91 3a1s n ASP 94 Ca 0.00 -3.12 -0.41 0.00 -0.01 0.00 0.00 54.79 51.25 3a1s n ASP 94 Cb 0.00 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 39.51 3a1s n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a1s s ALA 95 N -2.89 3.50 0.06 2.12 0.00 -1.26 -4.76 121.76 118.52 3a1s s ALA 95 Ca 0.42 1.11 0.09 0.00 0.00 0.00 0.00 51.96 53.58 3a1s s ALA 95 Cb 0.35 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 3a1s s ALA 95 CO 0.07 -0.50 1.33 -0.44 0.00 0.00 0.00 175.76 176.22 3a1s h ASP 96 N 4.64 0.00 -5.02 0.00 3.32 -0.81 -3.48 116.42 115.07 3a1s h ASP 96 Ca -0.46 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.61 3a1s h ASP 96 Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 3a1s h ASP 96 CO 0.73 0.87 0.18 -1.48 -1.72 0.00 0.00 179.24 177.82 3a1s s LEU 97 N -6.68 -0.28 -0.05 1.55 0.05 -1.14 -4.62 118.68 107.52 3a1s s LEU 97 Ca 0.02 -0.41 0.06 0.00 0.05 0.00 0.00 54.13 53.84 3a1s s LEU 97 Cb 0.10 2.56 -0.01 0.00 -2.05 0.00 0.00 46.19 46.79 3a1s s LEU 97 CO 0.80 -1.17 -0.23 -0.69 -0.55 0.00 0.00 176.35 174.51 3a1s s VAL 98 N -3.86 1.86 -0.29 1.48 1.01 0.23 -1.93 120.40 118.90 3a1s s VAL 98 Ca 0.08 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 3a1s s VAL 98 Cb -0.03 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3a1s s VAL 98 CO -0.01 0.52 0.15 -0.63 0.00 0.00 0.00 175.10 175.13 3a1s s ILE 99 N -0.09 4.81 -0.37 2.22 1.01 0.41 -0.89 121.20 128.31 3a1s s ILE 99 Ca -0.04 -0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 3a1s s ILE 99 Cb -0.13 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.00 3a1s s ILE 99 CO 0.03 0.20 0.71 -0.22 0.00 0.00 0.00 174.94 175.66 3a1s s LEU 100 N 1.67 4.20 -0.32 2.97 1.98 -0.38 -1.07 118.68 127.73 3a1s s LEU 100 Ca 0.06 0.22 -0.21 0.00 -2.89 0.00 0.00 54.13 51.31 3a1s s LEU 100 Cb -0.16 -2.91 -0.00 0.00 0.66 0.00 0.00 46.19 43.78 3a1s s LEU 100 CO 0.07 -0.68 0.66 -0.69 -1.89 0.00 0.00 176.35 173.82 3a1s s VAL 101 N 2.93 4.90 -0.02 1.68 1.01 0.32 -1.36 120.40 129.85 3a1s s VAL 101 Ca 0.28 0.85 0.03 0.00 0.00 0.00 0.00 61.98 63.14 3a1s s VAL 101 Cb -0.14 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3a1s s VAL 101 CO 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 175.10 174.97 3a1s s ALA 102 N 2.70 2.92 -0.46 5.51 0.00 -0.06 -4.47 121.76 127.89 3a1s s ALA 102 Ca 0.26 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 3a1s s ALA 102 Cb -0.15 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 21.91 3a1s s ALA 102 CO 0.13 0.59 1.12 0.34 0.00 0.00 0.00 175.76 177.94 3a1s s ASP 103 N -1.15 6.66 0.54 0.00 -1.08 -1.26 -1.07 116.67 119.30 3a1s s ASP 103 Ca 0.15 0.51 0.26 0.00 -0.52 0.00 0.00 52.55 52.95 3a1s s ASP 103 Cb -0.11 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.35 3a1s s ASP 103 CO 0.05 -1.21 2.14 0.77 0.52 0.00 0.00 175.17 177.44 3a1s h SER 104 N 9.10 0.00 1.15 -0.34 4.64 -1.70 -1.89 113.55 124.52 3a1s h SER 104 Ca -0.23 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.93 3a1s h SER 104 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3a1s h SER 104 CO 1.11 0.07 -0.87 0.58 -0.87 0.00 0.00 176.83 176.85 3a1s h VAL 105 N 0.00 1.14 -2.07 0.95 2.07 -1.85 -3.38 116.25 113.10 3a1s h VAL 105 Ca -0.00 -2.67 -0.55 0.00 0.82 0.00 0.00 66.70 64.30 3a1s h VAL 105 Cb 0.19 2.54 -0.40 0.00 -1.52 0.00 0.00 31.29 32.09 3a1s h VAL 105 CO 0.01 0.65 -0.98 -3.20 0.02 0.00 0.00 177.57 174.07 3a1s n ASN 106 N -3.22 1.60 0.19 0.57 5.15 -0.76 -5.00 115.26 113.79 3a1s n ASN 106 Ca -0.01 -3.06 0.07 0.00 -0.60 0.00 0.00 54.58 50.98 3a1s n ASN 106 Cb 0.84 -0.63 0.20 0.00 -0.53 0.00 0.00 39.78 39.67 3a1s n ASN 106 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3a1s h PRO 107 N 3.58 0.00 -0.03 1.20 0.13 -1.62 -3.41 132.00 131.85 3a1s h PRO 107 Ca 0.11 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.27 3a1s h PRO 107 Cb 0.82 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 3a1s h PRO 107 CO 0.59 0.29 -0.13 0.93 -0.23 0.00 0.00 178.00 179.45 3a1s h GLU 108 N 0.00 -0.20 -0.26 0.86 3.07 -1.94 -1.00 114.58 115.11 3a1s h GLU 108 Ca -0.00 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.76 3a1s h GLU 108 Cb 1.09 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 3a1s h GLU 108 CO 0.04 -0.13 -0.29 0.37 -1.40 0.00 0.00 179.01 177.59 3a1s h GLN 109 N -0.21 0.53 -0.69 2.33 5.75 -1.98 -1.97 115.11 118.88 3a1s h GLN 109 Ca 0.06 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.36 3a1s h GLN 109 Cb 0.28 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 3a1s h GLN 109 CO -0.15 0.77 0.44 0.77 -2.65 0.00 0.00 178.83 178.01 3a1s h SER 110 N 0.46 0.74 0.43 -0.69 0.02 -1.69 -1.41 113.55 111.41 3a1s h SER 110 Ca 0.06 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 3a1s h SER 110 Cb 0.74 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3a1s h SER 110 CO 0.06 0.52 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.68 3a1s h LEU 111 N 0.88 0.11 -0.10 5.07 3.38 -0.92 -0.04 115.31 123.69 3a1s h LEU 111 Ca 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3a1s h LEU 111 Cb -0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3a1s h LEU 111 CO -0.09 0.61 0.02 0.22 0.09 0.00 0.00 178.44 179.30 3a1s h TYR 112 N 0.08 0.17 -0.96 1.13 5.03 -0.99 -1.76 116.97 119.67 3a1s h TYR 112 Ca -0.00 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.32 3a1s h TYR 112 Cb 0.95 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 39.12 3a1s h TYR 112 CO 0.01 0.34 0.63 1.25 -1.32 0.00 0.00 178.16 179.07 3a1s h LEU 113 N -0.05 1.05 -0.63 2.82 5.85 -1.06 -2.43 115.31 120.86 3a1s h LEU 113 Ca 0.03 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3a1s h LEU 113 Cb 0.26 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3a1s h LEU 113 CO 0.00 0.73 0.37 0.25 -0.34 0.00 0.00 178.44 179.45 3a1s h LEU 114 N 1.23 0.58 -1.06 2.25 5.85 -0.75 -2.23 115.31 121.17 3a1s h LEU 114 Ca 0.38 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.12 3a1s h LEU 114 Cb -0.01 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3a1s h LEU 114 CO -0.12 0.39 0.59 -0.07 -0.34 0.00 0.00 178.44 178.90 3a1s h LEU 115 N 0.71 1.07 -0.88 2.25 3.38 -0.84 0.39 115.31 121.39 3a1s h LEU 115 Ca 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3a1s h LEU 115 Cb 0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3a1s h LEU 115 CO -0.14 0.79 0.55 -0.33 0.09 0.00 0.00 178.44 179.40 3a1s h GLU 116 N 1.25 1.18 -0.04 1.13 5.08 -1.18 -2.43 114.58 119.58 3a1s h GLU 116 Ca 0.33 -0.09 -0.23 0.00 -1.00 0.00 0.00 59.36 58.38 3a1s h GLU 116 Cb -0.12 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 28.89 3a1s h GLU 116 CO -0.07 0.81 -0.90 0.82 -1.00 0.00 0.00 179.01 178.67 3a1s h ILE 117 N 1.20 1.36 -0.72 3.13 2.04 -0.88 -3.12 117.51 120.52 3a1s h ILE 117 Ca 0.32 -2.29 0.01 0.00 1.00 0.00 0.00 64.86 63.90 3a1s h ILE 117 Cb -0.08 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 3a1s h ILE 117 CO -0.06 0.69 0.47 -0.07 0.00 0.00 0.00 178.15 179.19 3a1s h LEU 118 N 0.31 0.81 -4.79 1.44 3.38 -0.73 -3.31 115.31 112.43 3a1s h LEU 118 Ca -0.08 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3a1s h LEU 118 Cb 1.53 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3a1s h LEU 118 CO 0.16 0.58 0.47 -0.62 0.09 0.00 0.00 178.44 179.12 3a1s n GLU 119 N -4.43 0.84 -2.60 1.13 1.02 -0.94 -4.45 120.64 111.21 3a1s n GLU 119 Ca 0.08 -0.49 -0.04 0.00 -0.02 0.00 0.00 57.16 56.69 3a1s n GLU 119 Cb 0.05 -1.78 0.01 0.00 -0.02 0.00 0.00 31.44 29.70 3a1s n GLU 119 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3a1s n GLU 121 N 3.07 0.35 -4.20 3.49 1.02 -1.24 -4.42 120.64 118.70 3a1s n GLU 121 Ca 0.18 -0.84 -0.24 0.00 -0.02 0.00 0.00 57.16 56.24 3a1s n GLU 121 Cb 0.30 -0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.65 3a1s n GLU 121 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3a1s s LYS 122 N 0.06 2.55 0.01 3.49 -0.14 -1.26 -4.99 119.74 119.46 3a1s s LYS 122 Ca 0.06 -1.17 -0.30 0.00 -1.36 0.00 0.00 55.97 53.20 3a1s s LYS 122 Cb 0.12 -2.38 -0.06 0.00 -1.68 0.00 0.00 37.83 33.83 3a1s s LYS 122 CO -0.03 0.42 1.45 0.15 -0.76 0.00 0.00 175.35 176.58 3a1s s LYS 123 N -3.41 4.27 -0.02 1.68 1.02 -1.26 -4.90 119.74 117.12 3a1s s LYS 123 Ca 0.30 2.03 0.03 0.00 0.02 0.00 0.00 55.97 58.35 3a1s s LYS 123 Cb -0.08 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 3a1s s LYS 123 CO 0.21 -0.61 -0.10 0.08 -0.92 0.00 0.00 175.35 174.02 3a1s s VAL 124 N 2.45 0.82 -0.11 3.17 1.01 -1.26 -0.60 120.40 125.88 3a1s s VAL 124 Ca 0.66 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 3a1s s VAL 124 Cb -0.33 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3a1s s VAL 124 CO 0.27 0.25 -0.08 -0.63 0.00 0.00 0.00 175.10 174.91 3a1s s ILE 125 N 0.09 3.52 -0.30 2.22 1.01 -0.06 -4.28 121.20 123.38 3a1s s ILE 125 Ca -0.01 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 3a1s s ILE 125 Cb -0.08 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 3a1s s ILE 125 CO 0.00 0.55 0.53 -0.22 0.00 0.00 0.00 174.94 175.80 3a1s s LEU 126 N -0.16 4.18 0.00 2.97 2.96 -0.34 -1.26 118.68 127.04 3a1s s LEU 126 Ca 0.01 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 3a1s s LEU 126 Cb -0.13 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.91 3a1s s LEU 126 CO 0.03 -0.40 0.00 0.00 -1.32 0.00 0.00 176.35 174.66 3a1s n ALA 127 N 5.68 0.00 -3.85 5.97 0.00 -0.46 -1.00 120.51 126.85 3a1s n ALA 127 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 3a1s n ALA 127 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 3a1s n ALA 127 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3a1s s THR 129 N 1.00 0.00 -1.55 0.00 -1.32 -0.23 -0.88 115.64 112.66 3a1s s THR 129 Ca 0.00 -0.09 -0.03 0.00 -1.21 0.00 0.00 61.69 60.36 3a1s s THR 129 Cb 0.00 -2.60 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 3a1s s THR 129 CO 0.00 0.00 0.33 0.00 -2.21 0.00 0.00 174.62 172.74 3a1s n ALA 130 N -0.77 -0.85 0.29 11.08 0.00 -0.86 -1.99 120.51 127.42 3a1s n ALA 130 Ca -0.00 0.21 0.16 0.00 0.00 0.00 0.00 53.44 53.80 3a1s n ALA 130 Cb 0.60 -2.96 0.91 0.00 0.00 0.00 0.00 19.45 18.00 3a1s n ALA 130 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a1s h ILE 131 N -0.74 0.39 -0.13 0.00 6.09 -1.75 -1.16 117.51 120.21 3a1s h ILE 131 Ca -0.48 -0.22 -0.14 0.00 -1.37 0.00 0.00 64.86 62.65 3a1s h ILE 131 Cb 1.34 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.77 3a1s h ILE 131 CO 0.55 0.04 -0.52 -2.24 -3.07 0.00 0.00 178.15 172.91 3a1s h ASP 132 N 0.00 0.40 -0.07 2.19 2.03 -1.89 -1.86 116.42 117.21 3a1s h ASP 132 Ca -0.00 -0.20 -0.21 0.00 -0.73 0.00 0.00 57.03 55.89 3a1s h ASP 132 Cb 0.15 -0.11 0.01 0.00 -0.83 0.00 0.00 39.33 38.55 3a1s h ASP 132 CO 0.01 0.84 -0.79 -0.08 -1.03 0.00 0.00 179.24 178.19 3a1s h GLU 133 N 0.28 0.65 -0.43 4.15 4.81 -1.63 -3.23 114.58 119.19 3a1s h GLU 133 Ca 0.01 -0.61 0.05 0.00 -0.13 0.00 0.00 59.36 58.68 3a1s h GLU 133 Cb 1.01 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 3a1s h GLU 133 CO 0.09 1.22 0.17 0.00 -0.73 0.00 0.00 179.01 179.76 3a1s h ALA 134 N 0.45 0.52 -0.70 2.92 0.00 -1.23 -2.52 119.26 118.70 3a1s h ALA 134 Ca -0.08 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.00 3a1s h ALA 134 Cb 1.44 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.15 3a1s h ALA 134 CO 0.16 -0.21 0.25 0.87 0.00 0.00 0.00 179.25 180.32 3a1s h LYS 135 N 0.35 0.39 -0.29 0.00 1.57 -1.40 -2.21 116.57 114.97 3a1s h LYS 135 Ca 0.19 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3a1s h LYS 135 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3a1s h LYS 135 CO -0.18 0.26 0.20 0.87 -0.57 0.00 0.00 179.45 180.02 3a1s h LYS 136 N 0.40 0.33 0.00 3.15 1.57 -1.47 0.14 116.57 120.69 3a1s h LYS 136 Ca 0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3a1s h LYS 136 Cb 0.56 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3a1s h LYS 136 CO -0.39 0.22 0.00 0.25 -0.57 0.00 0.00 179.45 178.96 3a1s n THR 137 N -4.49 0.84 -1.33 -0.16 -2.24 -0.83 -5.15 114.28 100.91 3a1s n THR 137 Ca 0.02 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 3a1s n THR 137 Cb 0.11 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 3a1s n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1s n GLY 138 N 0.14 -0.48 3.33 3.38 0.00 0.48 -5.15 105.19 106.89 3a1s n GLY 138 Ca 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 3a1s n GLY 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a1s s LYS 140 N -1.30 0.42 -0.20 1.61 2.20 0.78 -5.05 119.74 118.20 3a1s s LYS 140 Ca 0.00 1.11 -0.03 0.00 -0.36 0.00 0.00 55.97 56.68 3a1s s LYS 140 Cb 0.00 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.74 3a1s s LYS 140 CO 0.00 -0.30 -0.05 0.42 -0.36 0.00 0.00 175.35 175.05 3a1s s ILE 141 N 2.71 3.36 -0.49 5.43 1.01 -1.26 -1.25 121.20 130.71 3a1s s ILE 141 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 3a1s s ILE 141 Cb -0.13 -2.51 0.06 0.00 0.01 0.00 0.00 42.46 39.90 3a1s s ILE 141 CO -0.16 0.44 0.54 -0.62 0.00 0.00 0.00 174.94 175.14 3a1s s ASP 142 N 1.26 6.20 0.31 3.58 -1.08 0.36 -4.93 116.67 122.37 3a1s s ASP 142 Ca 0.03 -1.05 0.03 0.00 -0.52 0.00 0.00 52.55 51.04 3a1s s ASP 142 Cb -0.14 -2.25 0.53 0.00 -1.46 0.00 0.00 42.92 39.59 3a1s s ASP 142 CO -0.02 -0.80 1.83 -0.09 0.52 0.00 0.00 175.17 176.61 3a1s h ARG 143 N 8.90 0.55 -0.56 4.34 2.43 -1.98 -2.41 114.38 125.65 3a1s h ARG 143 Ca -0.28 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3a1s h ARG 143 Cb 1.10 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 3a1s h ARG 143 CO 0.93 0.61 0.35 -0.92 -1.51 0.00 0.00 179.97 179.43 3a1s h TYR 144 N 0.52 0.73 -0.52 2.20 3.20 -1.98 -1.24 116.97 119.89 3a1s h TYR 144 Ca 0.11 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3a1s h TYR 144 Cb 0.41 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3a1s h TYR 144 CO 0.01 0.49 -0.01 0.93 -1.64 0.00 0.00 178.16 177.94 3a1s h GLU 145 N 0.76 0.88 -0.34 1.82 4.39 -1.82 0.08 114.58 120.36 3a1s h GLU 145 Ca 0.20 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3a1s h GLU 145 Cb -0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3a1s h GLU 145 CO -0.04 0.89 0.15 -0.07 -1.16 0.00 0.00 179.01 178.78 3a1s h LEU 146 N 0.81 0.45 -0.93 1.33 3.38 -1.19 -1.05 115.31 118.12 3a1s h LEU 146 Ca 0.15 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3a1s h LEU 146 Cb 0.50 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3a1s h LEU 146 CO 0.03 0.47 0.07 1.56 0.09 0.00 0.00 178.44 180.66 3a1s h GLN 147 N 0.40 0.85 -0.32 1.13 4.20 -0.87 -0.71 115.11 119.79 3a1s h GLN 147 Ca 0.11 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3a1s h GLN 147 Cb 0.15 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3a1s h GLN 147 CO -0.01 0.81 0.08 -0.22 -0.67 0.00 0.00 178.83 178.81 3a1s h LYS 148 N 0.81 0.52 0.00 1.46 3.64 -0.79 0.73 116.57 122.94 3a1s h LYS 148 Ca 0.17 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3a1s h LYS 148 Cb 0.39 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3a1s h LYS 148 CO 0.01 0.58 -0.33 0.45 -2.27 0.00 0.00 179.45 177.89 3a1s h HIS 149 N 0.36 0.00 0.00 1.91 3.86 -1.01 -3.34 115.15 116.93 3a1s h HIS 149 Ca 0.10 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 3a1s h HIS 149 Cb 0.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3a1s h HIS 149 CO 0.02 0.10 -1.61 1.28 0.86 0.00 0.00 177.93 178.58 3a1s n LEU 150 N -3.03 0.00 -0.77 2.43 4.77 -0.29 -5.02 117.00 115.09 3a1s n LEU 150 Ca 0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 3a1s n LEU 150 Cb 0.58 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 3a1s n LEU 150 CO 0.37 0.05 -0.09 0.61 -1.33 0.00 0.00 177.39 177.00 3a1s n GLY 151 N 1.88 0.62 3.19 -0.72 0.00 0.25 -4.79 105.19 105.62 3a1s n GLY 151 Ca -0.05 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 3a1s n GLY 151 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1s s ILE 152 N -2.36 0.56 0.42 -0.61 -4.36 -1.25 -2.44 121.20 111.17 3a1s s ILE 152 Ca 0.00 -1.94 -0.25 0.00 -0.26 0.00 0.00 60.65 58.19 3a1s s ILE 152 Cb 0.00 -1.93 -0.08 0.00 1.25 0.00 0.00 42.46 41.70 3a1s s ILE 152 CO 0.00 -0.63 1.32 -2.84 0.24 0.00 0.00 174.94 173.03 3a1s s PRO 153 N -3.91 3.86 -0.06 0.37 0.02 -1.26 -4.54 135.00 129.48 3a1s s PRO 153 Ca 0.19 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.43 3a1s s PRO 153 Cb 0.06 -2.69 0.01 0.00 0.02 0.00 0.00 34.50 31.90 3a1s s PRO 153 CO -0.00 -0.60 -0.10 0.08 -0.33 0.00 0.00 177.00 176.05 3a1s s VAL 154 N -1.26 0.97 -0.08 3.83 1.01 -1.26 -1.19 120.40 122.41 3a1s s VAL 154 Ca 0.59 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.20 3a1s s VAL 154 Cb -0.39 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3a1s s VAL 154 CO 0.50 0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 175.10 3a1s s VAL 155 N 0.68 1.18 -0.01 2.92 1.01 -0.17 -4.99 120.40 121.02 3a1s s VAL 155 Ca -0.13 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3a1s s VAL 155 Cb -0.15 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3a1s s VAL 155 CO 0.03 0.37 0.98 -0.36 0.00 0.00 0.00 175.10 176.11 3a1s s PHE 156 N 0.82 3.65 0.11 5.22 0.08 -1.26 -4.29 117.98 122.31 3a1s s PHE 156 Ca -0.11 1.68 0.04 0.00 0.12 0.00 0.00 56.93 58.66 3a1s s PHE 156 Cb -0.15 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 3a1s s PHE 156 CO 0.02 -0.02 -0.11 0.95 -0.10 0.00 0.00 175.22 175.95 3a1s s THR 157 N 1.07 1.08 -0.03 0.64 -4.23 -1.26 -3.76 115.64 109.15 3a1s s THR 157 Ca 0.51 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3a1s s THR 157 Cb -0.21 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.22 3a1s s THR 157 CO 0.27 -0.52 0.03 -0.55 -0.54 0.00 0.00 174.62 173.31 3a1s s SER 158 N -2.49 0.67 0.00 3.99 0.15 -0.00 -1.77 113.70 114.24 3a1s s SER 158 Ca 0.07 0.03 0.27 0.00 0.70 0.00 0.00 55.95 57.03 3a1s s SER 158 Cb -0.03 -0.16 1.21 0.00 -1.71 0.00 0.00 66.02 65.32 3a1s s SER 158 CO 0.01 -0.17 1.89 -1.20 1.20 0.00 0.00 173.24 174.97 3a1s n SER 159 N 4.66 0.00 -0.10 5.45 7.64 -1.26 -1.30 113.62 128.72 3a1s n SER 159 Ca -0.17 0.40 -0.20 0.00 1.01 0.00 0.00 58.87 59.90 3a1s n SER 159 Cb 0.50 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 3a1s n SER 159 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3a1s h VAL 160 N 0.00 1.07 0.00 0.44 2.07 -1.96 -3.41 116.25 114.46 3a1s h VAL 160 Ca 0.00 -2.21 -0.03 0.00 0.82 0.00 0.00 66.70 65.28 3a1s h VAL 160 Cb 0.43 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3a1s h VAL 160 CO 0.00 0.38 -1.64 0.35 0.02 0.00 0.00 177.57 176.68 3a1s n THR 161 N -4.44 0.37 -0.28 2.57 -2.24 -1.25 -4.97 114.28 104.04 3a1s n THR 161 Ca -0.28 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3a1s n THR 161 Cb 0.65 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3a1s n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1s n GLY 162 N 1.27 0.88 3.59 3.38 0.00 -0.42 -5.03 105.19 108.85 3a1s n GLY 162 Ca -0.04 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.48 3a1s n GLY 162 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a1s n GLU 163 N -2.00 1.24 0.00 1.61 2.13 -1.23 -2.30 120.64 120.10 3a1s n GLU 163 Ca 0.00 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3a1s n GLU 163 Cb 0.00 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 29.69 3a1s n GLU 163 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1s n GLY 164 N 2.28 2.78 0.21 8.31 0.00 -1.25 -0.82 105.19 116.70 3a1s n GLY 164 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3a1s n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a1s h LEU 165 N 0.00 0.62 -0.50 0.99 3.38 -1.73 0.11 115.31 118.19 3a1s h LEU 165 Ca 0.00 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 3a1s h LEU 165 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3a1s h LEU 165 CO 0.00 0.62 -0.50 -0.33 0.09 0.00 0.00 178.44 178.32 3a1s h GLU 166 N 0.59 0.66 -0.86 1.13 4.39 -1.90 -2.05 114.58 116.55 3a1s h GLU 166 Ca 0.15 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3a1s h GLU 166 Cb 0.18 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 3a1s h GLU 166 CO -0.01 1.01 0.56 0.93 -1.16 0.00 0.00 179.01 180.33 3a1s h GLU 167 N 0.52 1.14 -0.38 2.33 5.08 -1.87 -0.78 114.58 120.62 3a1s h GLU 167 Ca 0.02 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3a1s h GLU 167 Cb 1.05 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3a1s h GLU 167 CO 0.10 0.77 0.10 1.25 -1.00 0.00 0.00 179.01 180.23 3a1s h LEU 168 N 1.17 0.57 -0.66 1.33 5.85 -0.53 -0.98 115.31 122.06 3a1s h LEU 168 Ca 0.31 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3a1s h LEU 168 Cb -0.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3a1s h LEU 168 CO -0.07 0.64 0.43 0.11 -0.34 0.00 0.00 178.44 179.22 3a1s h LYS 169 N 0.47 0.85 -0.46 1.25 1.57 -0.95 0.63 116.57 119.93 3a1s h LYS 169 Ca 0.12 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3a1s h LYS 169 Cb 0.29 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3a1s h LYS 169 CO -0.00 0.56 0.29 1.49 -0.57 0.00 0.00 179.45 181.23 3a1s h GLU 170 N 0.88 0.58 -0.25 3.15 4.57 -0.94 -2.33 114.58 120.23 3a1s h GLU 170 Ca 0.24 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.28 3a1s h GLU 170 Cb -0.09 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 3a1s h GLU 170 CO -0.06 0.38 -0.32 0.87 -1.18 0.00 0.00 179.01 178.71 3a1s h LYS 171 N 0.60 0.53 0.03 1.92 1.57 -0.62 -0.29 116.57 120.30 3a1s h LYS 171 Ca 0.18 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3a1s h LYS 171 Cb -0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3a1s h LYS 171 CO -0.05 0.78 -0.25 0.82 -0.57 0.00 0.00 179.45 180.18 3a1s h ILE 172 N 0.45 0.44 -0.12 1.86 2.04 -0.62 0.83 117.51 122.39 3a1s h ILE 172 Ca 0.05 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.75 3a1s h ILE 172 Cb 0.78 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3a1s h ILE 172 CO 0.06 0.00 -0.60 -0.37 0.00 0.00 0.00 178.15 177.24 3a1s h VAL 173 N -0.40 1.35 -0.23 1.67 -1.51 -1.23 -1.17 116.25 114.73 3a1s h VAL 173 Ca 0.05 -1.92 -0.02 0.00 -1.23 0.00 0.00 66.70 63.58 3a1s h VAL 173 Cb 0.47 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 3a1s h VAL 173 CO -0.20 0.58 0.05 -0.08 -1.23 0.00 0.00 177.57 176.69 3a1s h GLU 174 N 0.31 0.38 -0.15 5.19 4.81 -0.93 -3.01 114.58 121.18 3a1s h GLU 174 Ca -0.00 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 3a1s h GLU 174 Cb 1.14 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3a1s h GLU 174 CO 0.10 0.50 -0.56 -0.92 -0.73 0.00 0.00 179.01 177.40 3a1s h TYR 175 N 0.19 0.57 0.00 0.92 5.03 -0.77 -2.94 116.97 119.97 3a1s h TYR 175 Ca 0.07 -0.20 -0.03 0.00 2.58 0.00 0.00 58.73 61.14 3a1s h TYR 175 Cb 0.30 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.47 3a1s h TYR 175 CO 0.02 0.91 -0.16 0.00 -1.32 0.00 0.00 178.16 177.61 3a1s h ALA 176 N 1.05 1.72 0.00 1.82 0.00 -1.20 -2.26 119.26 120.38 3a1s h ALA 176 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3a1s h ALA 176 Cb 1.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3a1s h ALA 176 CO 0.10 0.20 -0.29 1.96 0.00 0.00 0.00 179.25 181.21 3a1s h GLN 177 N 0.00 0.00 -7.03 0.00 4.20 -1.38 -3.46 115.11 107.44 3a1s h GLN 177 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3a1s h GLN 177 Cb 0.28 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.19 3a1s h GLN 177 CO 0.02 0.29 0.64 0.15 -0.67 0.00 0.00 178.83 179.26 3a1s s LYS 178 N -3.29 3.29 0.28 1.46 -0.14 -0.85 -4.92 119.74 115.55 3a1s s LYS 178 Ca 0.03 2.30 0.14 0.00 -1.36 0.00 0.00 55.97 57.09 3a1s s LYS 178 Cb 0.08 -2.37 0.20 0.00 -1.68 0.00 0.00 37.83 34.06 3a1s s LYS 178 CO 0.68 -1.10 1.50 -0.91 -0.76 0.00 0.00 175.35 174.77 3a1s h ASN 179 N 1.70 0.00 -4.50 2.83 2.35 -1.88 -3.47 115.58 112.61 3a1s h ASN 179 Ca -0.51 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 54.79 3a1s h ASN 179 Cb 1.29 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.52 3a1s h ASN 179 CO 0.58 0.56 -0.55 0.42 -1.65 0.00 0.00 177.43 176.80 3a1s s THR 180 N -3.12 0.38 0.39 2.81 -4.23 -1.26 -5.14 115.64 105.46 3a1s s THR 180 Ca 0.02 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.29 3a1s s THR 180 Cb 0.09 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 3a1s s THR 180 CO 0.74 0.00 1.05 0.27 -0.54 0.00 0.00 174.62 176.14 3a1s s ILE 181 N -3.51 3.73 -0.05 2.99 -4.36 -1.26 -4.97 121.20 113.77 3a1s s ILE 181 Ca 0.34 1.35 -0.27 0.00 -0.26 0.00 0.00 60.65 61.82 3a1s s ILE 181 Cb 0.04 -3.71 -0.22 0.00 1.25 0.00 0.00 42.46 39.83 3a1s s ILE 181 CO 0.18 0.03 1.16 -0.07 0.24 0.00 0.00 174.94 176.48 3a1s h LEU 182 N 2.60 -0.00-10.59 0.37 3.38 -1.95 -3.47 115.31 105.66 3a1s h LEU 182 Ca -0.48 -0.60 -0.44 0.00 0.09 0.00 0.00 57.88 56.45 3a1s h LEU 182 Cb 1.21 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.12 3a1s h LEU 182 CO 0.63 0.60 0.30 -1.38 0.09 0.00 0.00 178.44 178.67 3a1s s HIS 183 N -3.81 1.55 0.03 1.13 -3.43 -1.02 -4.99 115.29 104.75 3a1s s HIS 183 Ca -0.17 0.54 -0.28 0.00 -0.80 0.00 0.00 55.06 54.35 3a1s s HIS 183 Cb 0.01 -3.69 0.10 0.00 -1.43 0.00 0.00 32.58 27.57 3a1s s HIS 183 CO 0.68 -2.93 1.22 0.50 -2.00 0.00 0.00 174.74 172.21 3a1s s ARG 184 N -5.56 0.60 0.00 -0.38 6.06 -1.26 -5.08 118.95 113.34 3a1s s ARG 184 Ca 0.70 -0.37 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 3a1s s ARG 184 Cb -0.09 0.18 0.00 0.00 0.06 0.00 0.00 34.95 35.10 3a1s s ARG 184 CO 0.54 -0.28 0.00 -0.89 -2.50 0.00 0.00 175.30 172.17 3a1s n ILE 186 N -0.67 0.00 -3.28 4.11 -0.00 -1.26 -5.09 119.36 113.17 3a1s n ILE 186 Ca -0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.33 3a1s n ILE 186 Cb 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 40.17 3a1s n ILE 186 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 3a1s s LEU 187 N 0.00 4.12 -0.36 1.39 2.96 -1.26 -5.03 118.68 120.50 3a1s s LEU 187 Ca 0.00 0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 3a1s s LEU 187 Cb 0.00 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 44.06 3a1s s LEU 187 CO 0.00 -0.19 1.39 -0.62 -1.32 0.00 0.00 176.35 175.61 3a1s s ASP 188 N 1.26 6.46 0.00 3.68 -1.08 -1.26 -4.88 116.67 120.85 3a1s s ASP 188 Ca 0.22 1.02 0.17 0.00 -0.52 0.00 0.00 52.55 53.44 3a1s s ASP 188 Cb -0.15 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.26 3a1s s ASP 188 CO 0.09 -1.30 1.41 -1.22 0.52 0.00 0.00 175.17 174.67 3a1s n TYR 189 N 8.37 0.63 0.00 -5.34 4.01 -1.26 -5.04 117.16 118.53 3a1s n TYR 189 Ca 0.16 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3a1s n TYR 189 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 3a1s n TYR 189 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a1s n GLY 190 N 1.33 1.34 0.20 2.72 0.00 -1.26 -4.44 105.19 105.07 3a1s n GLY 190 Ca 0.18 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 3a1s n GLY 190 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a1s h GLU 191 N 0.00 0.23 -0.39 1.61 4.57 -1.98 -0.26 114.58 118.36 3a1s h GLU 191 Ca 0.00 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 3a1s h GLU 191 Cb 0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3a1s h GLU 191 CO 0.00 0.15 -0.25 1.57 -1.18 0.00 0.00 179.01 179.30 3a1s h LYS 192 N 0.24 0.85 -0.12 1.92 5.09 -2.00 -0.25 116.57 122.30 3a1s h LYS 192 Ca 0.24 -0.40 -0.11 0.00 0.09 0.00 0.00 60.65 60.48 3a1s h LYS 192 Cb 0.32 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.64 3a1s h LYS 192 CO -0.32 1.04 -0.34 0.28 -2.09 0.00 0.00 179.45 178.02 3a1s h VAL 193 N 0.66 1.38 -0.49 0.07 2.07 -1.73 -2.89 116.25 115.32 3a1s h VAL 193 Ca 0.08 -1.64 0.02 0.00 0.82 0.00 0.00 66.70 65.97 3a1s h VAL 193 Cb 0.82 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 3a1s h VAL 193 CO 0.07 0.49 0.32 -0.33 0.02 0.00 0.00 177.57 178.14 3a1s h GLU 194 N 0.04 0.60 -0.44 1.57 4.39 -0.97 -0.61 114.58 119.16 3a1s h GLU 194 Ca -0.01 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3a1s h GLU 194 Cb 0.96 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 3a1s h GLU 194 CO 0.07 0.40 0.01 1.03 -1.16 0.00 0.00 179.01 179.36 3a1s h SER 195 N 0.62 0.75 -0.27 1.42 0.87 -1.02 -1.62 113.55 114.30 3a1s h SER 195 Ca 0.19 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 3a1s h SER 195 Cb -0.00 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3a1s h SER 195 CO -0.04 0.87 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.61 3a1s h GLU 196 N 0.61 0.72 -0.21 2.24 4.39 -1.20 -2.03 114.58 119.09 3a1s h GLU 196 Ca 0.12 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3a1s h GLU 196 Cb 0.48 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3a1s h GLU 196 CO 0.02 0.86 0.13 0.82 -1.16 0.00 0.00 179.01 179.68 3a1s h ILE 197 N 0.64 1.08 -0.71 3.13 2.04 -0.95 -0.42 117.51 122.32 3a1s h ILE 197 Ca 0.10 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3a1s h ILE 197 Cb 0.66 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3a1s h ILE 197 CO 0.05 0.08 0.46 0.50 0.00 0.00 0.00 178.15 179.24 3a1s h LYS 198 N 0.27 0.90 -0.68 2.37 3.11 -1.15 0.39 116.57 121.78 3a1s h LYS 198 Ca 0.08 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 3a1s h LYS 198 Cb 0.01 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.01 3a1s h LYS 198 CO -0.01 0.60 0.24 0.87 -2.81 0.00 0.00 179.45 178.33 3a1s h LYS 199 N 0.93 1.03 -0.26 1.90 1.57 -1.05 -0.69 116.57 120.00 3a1s h LYS 199 Ca 0.27 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3a1s h LYS 199 Cb -0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3a1s h LYS 199 CO -0.08 0.86 -0.14 0.28 -0.57 0.00 0.00 179.45 179.80 3a1s h VAL 200 N 1.00 1.30 -0.32 0.50 2.07 -0.50 -1.68 116.25 118.62 3a1s h VAL 200 Ca 0.23 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3a1s h VAL 200 Cb 0.25 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3a1s h VAL 200 CO -0.01 0.39 0.12 -0.33 0.02 0.00 0.00 177.57 177.76 3a1s h GLU 201 N 0.27 0.26 -1.00 1.57 5.08 -0.72 -1.58 114.58 118.48 3a1s h GLU 201 Ca 0.05 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3a1s h GLU 201 Cb 0.66 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3a1s h GLU 201 CO 0.04 0.17 0.66 -0.91 -1.00 0.00 0.00 179.01 177.97 3a1s h ASN 202 N 0.27 1.12 -0.15 1.42 4.21 -1.10 -0.05 115.58 121.29 3a1s h ASN 202 Ca 0.14 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.59 3a1s h ASN 202 Cb 0.09 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.01 3a1s h ASN 202 CO -0.13 0.78 -0.01 0.15 -1.29 0.00 0.00 177.43 176.93 3a1s h PHE 203 N 1.31 0.41 -0.36 1.19 3.04 -0.61 -2.95 116.94 118.97 3a1s h PHE 203 Ca 0.38 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.30 3a1s h PHE 203 Cb -0.07 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.32 3a1s h PHE 203 CO -0.00 0.43 0.00 1.28 -2.02 0.00 0.00 178.31 178.00 3a1s n LEU 204 N -4.31 3.26 -0.35 0.59 4.77 -0.66 -4.60 117.00 115.69 3a1s n LEU 204 Ca 0.01 -1.55 0.25 0.00 -0.03 0.00 0.00 56.01 54.69 3a1s n LEU 204 Cb 0.22 -0.24 0.51 0.00 -2.33 0.00 0.00 43.42 41.59 3a1s n LEU 204 CO 0.38 0.72 1.18 0.08 -1.33 0.00 0.00 177.39 178.42 3a1s h ARG 205 N 3.86 0.33 0.00 3.23 0.11 -0.84 0.50 114.38 121.56 3a1s h ARG 205 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3a1s h ARG 205 Cb 0.89 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.90 3a1s h ARG 205 CO 0.00 0.22 -0.60 -0.40 0.10 0.00 0.00 179.97 179.29 3a1s n ASP 206 N -4.81 0.58 -4.78 0.08 5.75 -1.26 -4.89 116.55 107.22 3a1s n ASP 206 Ca 0.30 -0.32 -0.37 0.00 -0.01 0.00 0.00 54.79 54.39 3a1s n ASP 206 Cb 1.01 0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 41.43 3a1s n ASP 206 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3a1s s LYS 207 N -3.02 4.21 -1.16 0.11 -0.14 0.16 -4.97 119.74 114.94 3a1s s LYS 207 Ca 0.10 1.60 -0.14 0.00 -1.36 0.00 0.00 55.97 56.17 3a1s s LYS 207 Cb 0.17 -2.66 0.17 0.00 -1.68 0.00 0.00 37.83 33.84 3a1s s LYS 207 CO 0.73 -0.12 1.36 -1.59 -0.76 0.00 0.00 175.35 174.97 3a1s s LYS 208 N -2.31 4.03 0.34 1.68 -2.85 -1.26 -5.01 119.74 114.36 3a1s s LYS 208 Ca 0.56 -2.53 -0.24 0.00 -1.00 0.00 0.00 55.97 52.76 3a1s s LYS 208 Cb -0.25 -5.00 -0.10 0.00 -2.06 0.00 0.00 37.83 30.43 3a1s s LYS 208 CO 0.31 -1.72 0.92 -0.51 0.10 0.00 0.00 175.35 174.45 3a1s s LEU 209 N 1.47 4.23 0.00 2.77 1.43 -1.26 -4.96 118.68 122.37 3a1s s LEU 209 Ca 0.40 1.75 0.18 0.00 -1.03 0.00 0.00 54.13 55.44 3a1s s LEU 209 Cb -0.04 -4.11 0.52 0.00 0.03 0.00 0.00 46.19 42.59 3a1s s LEU 209 CO -0.02 -0.14 1.42 -2.11 0.23 0.00 0.00 176.35 175.74 3a1s n ARG 210 N 0.25 2.12 -3.89 1.70 -4.01 -1.26 -4.86 116.66 106.71 3a1s n ARG 210 Ca 0.03 -1.72 -0.10 0.00 -1.04 0.00 0.00 57.85 55.02 3a1s n ARG 210 Cb 0.51 -1.42 -0.09 0.00 -3.04 0.00 0.00 32.46 28.42 3a1s n ARG 210 CO 0.00 0.00 0.00 -1.50 -3.04 0.00 0.00 177.63 173.09 3a1s s ILE 211 N -1.48 0.11 0.41 8.89 1.10 -1.26 -5.01 121.20 123.96 3a1s s ILE 211 Ca 0.34 -0.95 -0.27 0.00 -0.51 0.00 0.00 60.65 59.26 3a1s s ILE 211 Cb 0.19 -0.80 -0.10 0.00 0.15 0.00 0.00 42.46 41.89 3a1s s ILE 211 CO 0.26 -0.52 1.48 -0.46 -2.11 0.00 0.00 174.94 173.58 3a1s n ASN 212 N 0.88 3.66 0.06 4.50 0.23 -1.26 -4.82 115.26 118.51 3a1s n ASN 212 Ca -0.20 1.19 0.10 0.00 -0.53 0.00 0.00 54.58 55.14 3a1s n ASN 212 Cb 0.58 -1.62 0.55 0.00 -2.08 0.00 0.00 39.78 37.21 3a1s n ASN 212 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 3a1s h PRO 213 N 2.72 0.26 0.02 -0.53 0.13 -1.98 -2.38 132.00 130.25 3a1s h PRO 213 Ca -0.51 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3a1s h PRO 213 Cb 1.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3a1s h PRO 213 CO 0.63 0.17 -0.01 -0.09 -0.23 0.00 0.00 178.00 178.47 3a1s h ARG 214 N 0.27 -0.03 -0.56 0.86 2.43 -1.93 0.14 114.38 115.56 3a1s h ARG 214 Ca 0.15 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3a1s h ARG 214 Cb 0.27 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3a1s h ARG 214 CO -0.03 0.11 0.36 -0.92 -1.51 0.00 0.00 179.97 177.98 3a1s h TYR 215 N -0.16 0.68 -0.19 2.20 3.20 -1.70 -0.95 116.97 120.06 3a1s h TYR 215 Ca -0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3a1s h TYR 215 Cb 0.15 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 3a1s h TYR 215 CO -0.03 0.41 -0.07 0.35 -1.64 0.00 0.00 178.16 177.18 3a1s h PHE 216 N 0.73 -0.15 -0.61 -3.82 3.04 -1.19 -2.06 116.94 112.87 3a1s h PHE 216 Ca 0.21 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.19 3a1s h PHE 216 Cb -0.05 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 3a1s h PHE 216 CO -0.04 -0.11 0.40 0.00 -2.02 0.00 0.00 178.31 176.54 3a1s h ALA 217 N 1.14 0.78 -0.36 2.41 0.00 -0.33 -0.72 119.26 122.18 3a1s h ALA 217 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3a1s h ALA 217 Cb 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3a1s h ALA 217 CO -0.21 0.20 0.09 -0.07 0.00 0.00 0.00 179.25 179.26 3a1s h LEU 218 N 0.82 0.05 -0.42 0.00 3.38 -0.84 -0.25 115.31 118.04 3a1s h LEU 218 Ca 0.23 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 3a1s h LEU 218 Cb -0.09 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3a1s h LEU 218 CO -0.05 0.06 -0.50 0.11 0.09 0.00 0.00 178.44 178.15 3a1s h LYS 219 N 0.22 0.77 0.22 1.13 1.79 -0.98 -2.02 116.57 117.70 3a1s h LYS 219 Ca 0.17 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 3a1s h LYS 219 Cb 0.18 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3a1s h LYS 219 CO -0.21 1.09 -0.11 -0.92 -1.08 0.00 0.00 179.45 178.22 3a1s h TYR 220 N 0.60 -0.28 -0.40 -1.35 3.20 -0.96 -0.95 116.97 116.84 3a1s h TYR 220 Ca 0.03 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3a1s h TYR 220 Cb 1.08 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 3a1s h TYR 220 CO 0.06 -0.12 0.27 -0.07 -1.64 0.00 0.00 178.16 176.66 3a1s h LEU 221 N -0.37 0.25 -0.83 2.82 3.38 -1.01 -1.46 115.31 118.08 3a1s h LEU 221 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3a1s h LEU 221 Cb 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3a1s h LEU 221 CO 0.05 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 3a1s n SER 222 N -4.47 1.25 -0.94 -0.43 3.41 -0.76 -4.23 113.62 107.45 3a1s n SER 222 Ca 0.05 -1.61 -0.08 0.00 -0.26 0.00 0.00 58.87 56.97 3a1s n SER 222 Cb 0.26 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 3a1s n SER 222 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a1s n GLY 223 N 1.06 0.07 3.73 5.00 0.00 -0.55 -4.57 105.19 109.93 3a1s n GLY 223 Ca 0.16 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3a1s n GLY 223 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1s n ASP 224 N 0.41 3.97 -0.34 1.61 2.03 -0.39 -4.79 116.55 119.05 3a1s n ASP 224 Ca -0.10 1.10 0.12 0.00 0.52 0.00 0.00 54.79 56.44 3a1s n ASP 224 Cb 0.56 -1.59 0.31 0.00 -0.72 0.00 0.00 41.12 39.68 3a1s n ASP 224 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a1s h PRO 225 N 5.86 0.69 0.01 -0.67 0.11 -1.90 0.95 132.00 137.05 3a1s h PRO 225 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a1s h PRO 225 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3a1s h PRO 225 CO 0.88 0.45 -0.01 1.49 -0.21 0.00 0.00 178.00 180.61 3a1s h GLU 226 N 0.71 -0.01 -0.03 1.05 4.81 -1.89 -3.28 114.58 115.94 3a1s h GLU 226 Ca 0.57 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.61 3a1s h GLU 226 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3a1s h GLU 226 CO -0.40 0.55 -0.79 0.74 -0.73 0.00 0.00 179.01 178.38 3a1s h PHE 227 N -0.99 0.34 -0.27 0.92 0.04 -1.81 -1.18 116.94 113.99 3a1s h PHE 227 Ca -0.00 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 3a1s h PHE 227 Cb 0.57 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 3a1s h PHE 227 CO 0.15 0.94 0.01 -0.92 -0.60 0.00 0.00 178.31 177.89 3a1s h TYR 228 N 0.15 0.51 -0.56 -0.55 3.20 -1.00 0.86 116.97 119.59 3a1s h TYR 228 Ca -0.03 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 3a1s h TYR 228 Cb 1.38 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 3a1s h TYR 228 CO 0.03 0.61 0.30 0.77 -1.64 0.00 0.00 178.16 178.23 3a1s h SER 229 N 0.26 0.71 -0.53 -2.11 0.02 -1.60 -1.97 113.55 108.33 3a1s h SER 229 Ca 0.08 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 3a1s h SER 229 Cb 0.40 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3a1s h SER 229 CO 0.01 0.61 0.06 -0.08 -1.14 0.00 0.00 176.83 176.29 3a1s h GLU 230 N 0.75 0.90 -0.42 3.45 4.57 -1.16 -1.92 114.58 120.75 3a1s h GLU 230 Ca 0.20 -0.26 0.07 0.00 -1.18 0.00 0.00 59.36 58.19 3a1s h GLU 230 Cb 0.06 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 3a1s h GLU 230 CO -0.03 0.89 0.08 0.78 -1.18 0.00 0.00 179.01 179.55 3a1s h GLY 231 N 0.78 0.49 1.05 1.92 0.00 -0.62 -0.40 103.07 106.28 3a1s h GLY 231 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3a1s h GLY 231 CO 0.02 -0.05 0.30 -2.08 0.00 0.00 0.00 176.54 174.72 3a1s h VAL 232 N 0.20 1.26 -0.65 4.60 2.07 -1.20 -1.22 116.25 121.31 3a1s h VAL 232 Ca 0.20 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3a1s h VAL 232 Cb 0.26 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3a1s h VAL 232 CO -0.27 0.34 0.42 0.11 0.02 0.00 0.00 177.57 178.19 3a1s h LYS 233 N 1.14 0.86 0.00 1.57 1.57 -0.69 -1.04 116.57 119.97 3a1s h LYS 233 Ca 0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3a1s h LYS 233 Cb 0.24 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3a1s h LYS 233 CO -0.02 0.57 0.00 1.28 -0.57 0.00 0.00 179.45 180.72 3a1s n LEU 234 N -4.43 0.00 0.00 2.94 4.77 -0.22 -4.87 117.00 115.19 3a1s n LEU 234 Ca 0.07 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3a1s n LEU 234 Cb 0.05 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3a1s n LEU 234 CO 0.36 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3a1s n GLY 235 N 0.69 0.99 3.76 -0.72 0.00 -0.39 -5.08 105.19 104.43 3a1s n GLY 235 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3a1s n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1s s LEU 236 N 0.00 3.72 0.58 0.99 1.43 -0.51 -4.97 118.68 119.92 3a1s s LEU 236 Ca 0.00 2.30 -0.18 0.00 -1.03 0.00 0.00 54.13 55.22 3a1s s LEU 236 Cb 0.00 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3a1s s LEU 236 CO 0.00 -1.40 1.14 -2.84 0.23 0.00 0.00 176.35 173.48 3a1s s PRO 237 N -3.28 3.14 0.59 1.29 0.02 -1.26 -4.16 135.00 131.35 3a1s s PRO 237 Ca 0.75 1.61 -0.19 0.00 0.02 0.00 0.00 61.00 63.19 3a1s s PRO 237 Cb -0.28 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 3a1s s PRO 237 CO 0.31 -1.02 1.21 -1.21 -0.33 0.00 0.00 177.00 175.96 3a1s s GLU 238 N -3.47 2.97 -0.01 5.54 2.02 -1.26 -4.82 118.70 119.67 3a1s s GLU 238 Ca 0.72 1.84 0.07 0.00 0.02 0.00 0.00 54.97 57.62 3a1s s GLU 238 Cb -0.24 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 3a1s s GLU 238 CO 0.31 -1.21 -0.22 -0.51 0.02 0.00 0.00 175.26 173.66 3a1s s LEU 239 N -4.07 2.35 0.79 1.80 1.43 -1.26 -5.12 118.68 114.61 3a1s s LEU 239 Ca 0.78 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.33 3a1s s LEU 239 Cb -0.31 -1.42 0.08 0.00 0.03 0.00 0.00 46.19 44.57 3a1s s LEU 239 CO 0.33 0.31 1.20 -0.94 0.23 0.00 0.00 176.35 177.47 3a1s s SER 240 N -0.88 3.73 0.31 2.29 1.04 -1.26 -4.82 113.70 114.11 3a1s s SER 240 Ca 0.11 2.33 0.00 0.00 0.48 0.00 0.00 55.95 58.87 3a1s s SER 240 Cb -0.10 -2.58 0.52 0.00 0.10 0.00 0.00 66.02 63.95 3a1s s SER 240 CO 0.01 -2.57 1.95 -0.08 0.98 0.00 0.00 173.24 173.53 3a1s h GLU 241 N -0.83 1.00 -0.78 4.02 4.81 -1.99 -1.65 114.58 119.16 3a1s h GLU 241 Ca -0.46 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 3a1s h GLU 241 Cb 1.29 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 3a1s h GLU 241 CO 0.47 0.66 0.33 0.93 -0.73 0.00 0.00 179.01 180.67 3a1s h GLU 242 N 1.03 1.16 -0.34 1.92 3.07 -1.99 -0.16 114.58 119.28 3a1s h GLU 242 Ca 0.32 -0.20 -0.12 0.00 -0.50 0.00 0.00 59.36 58.86 3a1s h GLU 242 Cb 0.01 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3a1s h GLU 242 CO -0.09 0.93 -0.25 0.93 -1.40 0.00 0.00 179.01 179.13 3a1s h GLU 243 N 1.13 0.76 -0.17 2.33 5.08 -1.79 -0.56 114.58 121.36 3a1s h GLU 243 Ca 0.26 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3a1s h GLU 243 Cb 0.20 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3a1s h GLU 243 CO -0.02 0.99 0.09 0.00 -1.00 0.00 0.00 179.01 179.07 3a1s h ARG 244 N 0.54 0.24 -0.73 2.33 3.08 -1.05 0.16 114.38 118.94 3a1s h ARG 244 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3a1s h ARG 244 Cb 0.81 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 3a1s h ARG 244 CO 0.07 0.25 0.43 0.82 -1.07 0.00 0.00 179.97 180.46 3a1s h ILE 245 N 0.18 1.21 -0.23 2.04 2.04 -1.03 -1.11 117.51 120.61 3a1s h ILE 245 Ca 0.06 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3a1s h ILE 245 Cb 0.07 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3a1s h ILE 245 CO -0.01 0.23 0.12 1.23 0.00 0.00 0.00 178.15 179.72 3a1s h GLY 246 N 1.01 0.35 0.92 5.37 0.00 -0.64 -0.50 103.07 109.57 3a1s h GLY 246 Ca 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3a1s h GLY 246 CO -0.05 0.16 0.11 -0.97 0.00 0.00 0.00 176.54 175.80 3a1s h TYR 247 N 0.25 0.49 -0.78 5.60 0.05 -0.90 -0.96 116.97 120.72 3a1s h TYR 247 Ca 0.08 -0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.91 3a1s h TYR 247 Cb 0.09 -0.15 -0.07 0.00 1.01 0.00 0.00 36.73 37.61 3a1s h TYR 247 CO -0.03 0.48 0.43 -0.09 -1.05 0.00 0.00 178.16 177.91 3a1s h ARG 248 N 0.36 0.71 -0.23 4.88 9.65 -1.00 -0.39 114.38 128.36 3a1s h ARG 248 Ca 0.10 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3a1s h ARG 248 Cb 0.21 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3a1s h ARG 248 CO -0.01 0.47 -0.07 -0.07 2.80 0.00 0.00 179.97 183.09 3a1s h LEU 249 N 0.73 0.45 -0.44 3.80 4.07 -0.89 -1.58 115.31 121.44 3a1s h LEU 249 Ca 0.38 -0.38 0.03 0.00 0.08 0.00 0.00 57.88 57.99 3a1s h LEU 249 Cb 0.36 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.94 3a1s h LEU 249 CO -0.25 0.72 0.23 -0.07 -1.08 0.00 0.00 178.44 178.00 3a1s h LEU 250 N 0.17 0.35 -0.29 1.67 -0.00 -0.71 -0.14 115.31 116.35 3a1s h LEU 250 Ca 0.06 0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.92 3a1s h LEU 250 Cb 0.53 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 3a1s h LEU 250 CO 0.02 0.25 0.03 0.40 -0.00 0.00 0.00 178.44 179.14 3a1s h ILE 251 N 0.46 1.24 -0.58 1.22 2.04 -1.03 -1.03 117.51 119.83 3a1s h ILE 251 Ca 0.19 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 3a1s h ILE 251 Cb 0.08 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3a1s h ILE 251 CO -0.12 0.28 0.17 0.00 0.00 0.00 0.00 178.15 178.48 3a1s h ALA 252 N 0.85 0.76 -0.55 1.87 0.00 -1.17 -1.64 119.26 119.38 3a1s h ALA 252 Ca 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a1s h ALA 252 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3a1s h ALA 252 CO 0.01 0.43 0.33 -0.22 0.00 0.00 0.00 179.25 179.80 3a1s h LYS 253 N 0.82 0.74 -0.75 0.00 3.11 -0.85 0.13 116.57 119.77 3a1s h LYS 253 Ca 0.19 -0.07 -0.06 0.00 -2.81 0.00 0.00 60.65 57.90 3a1s h LYS 253 Cb 0.30 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.34 3a1s h LYS 253 CO -0.00 0.54 0.23 -0.09 -2.81 0.00 0.00 179.45 177.31 3a1s h ARG 254 N 0.73 1.16 -0.53 1.90 9.65 -1.03 -0.76 114.38 125.50 3a1s h ARG 254 Ca 0.20 -0.25 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 3a1s h ARG 254 Cb -0.01 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 3a1s h ARG 254 CO -0.04 0.99 0.25 0.87 2.80 0.00 0.00 179.97 184.85 3a1s h LYS 255 N 1.11 0.77 -0.52 0.20 1.57 -0.96 -1.98 116.57 116.76 3a1s h LYS 255 Ca 0.24 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3a1s h LYS 255 Cb 0.32 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3a1s h LYS 255 CO -0.01 0.64 -0.01 0.00 -0.57 0.00 0.00 179.45 179.50 3a1s h ARG 256 N 0.71 0.89 -0.01 3.15 3.08 -0.66 -1.12 114.38 120.42 3a1s h ARG 256 Ca 0.18 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 3a1s h ARG 256 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3a1s h ARG 256 CO -0.02 0.89 -0.52 1.05 -1.07 0.00 0.00 179.97 180.30 3a1s h GLU 257 N 0.82 0.04 -0.23 0.04 4.11 -1.03 -0.98 114.58 117.34 3a1s h GLU 257 Ca 0.15 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.47 3a1s h GLU 257 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3a1s h GLU 257 CO 0.03 0.55 -0.19 -0.92 0.07 0.00 0.00 179.01 178.55 3a1s h TYR 258 N 0.03 0.64 -0.57 2.06 3.20 -0.97 -1.91 116.97 119.44 3a1s h TYR 258 Ca -0.00 -0.18 0.07 0.00 3.14 0.00 0.00 58.73 61.75 3a1s h TYR 258 Cb 0.94 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 3a1s h TYR 258 CO 0.00 0.86 0.26 0.28 -1.64 0.00 0.00 178.16 177.92 3a1s h VAL 259 N 0.25 0.87 -0.56 1.81 2.07 -1.05 -0.18 116.25 119.47 3a1s h VAL 259 Ca 0.04 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3a1s h VAL 259 Cb 0.73 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3a1s h VAL 259 CO 0.05 0.09 0.24 -0.33 0.02 0.00 0.00 177.57 177.64 3a1s h GLU 260 N 0.48 0.79 -0.29 1.57 5.08 -1.04 -0.78 114.58 120.39 3a1s h GLU 260 Ca 0.27 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 3a1s h GLU 260 Cb 0.25 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3a1s h GLU 260 CO -0.23 0.64 -0.40 -0.97 -1.00 0.00 0.00 179.01 177.05 3a1s h ASN 261 N 0.79 0.84 -0.95 1.42 -0.00 -0.68 -1.57 115.58 115.43 3a1s h ASN 261 Ca 0.19 -0.50 0.02 0.00 -0.00 0.00 0.00 56.30 56.00 3a1s h ASN 261 Cb 0.12 -0.24 -0.05 0.00 -0.00 0.00 0.00 38.32 38.15 3a1s h ASN 261 CO -0.02 1.18 0.63 0.58 -0.00 0.00 0.00 177.43 179.80 3a1s h VAL 262 N 0.53 1.22 -0.49 2.57 2.07 -0.64 -0.98 116.25 120.53 3a1s h VAL 262 Ca 0.03 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 3a1s h VAL 262 Cb 0.99 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3a1s h VAL 262 CO 0.09 0.23 -0.19 0.58 0.02 0.00 0.00 177.57 178.31 3a1s h VAL 263 N 1.27 1.27 -0.73 2.57 2.07 -1.06 0.45 116.25 122.09 3a1s h VAL 263 Ca 0.36 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 3a1s h VAL 263 Cb -0.11 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3a1s h VAL 263 CO -0.09 0.47 0.31 0.11 0.02 0.00 0.00 177.57 178.39 3a1s h LYS 264 N 0.85 1.06 0.06 1.57 1.57 -0.93 -0.95 116.57 119.80 3a1s h LYS 264 Ca 0.12 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 3a1s h LYS 264 Cb 0.76 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3a1s h LYS 264 CO 0.06 0.85 -1.20 0.93 -0.57 0.00 0.00 179.45 179.52 3a1s h GLU 265 N 1.05 0.13 0.00 3.15 4.39 -0.94 -3.38 114.58 118.98 3a1s h GLU 265 Ca 0.25 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3a1s h GLU 265 Cb 0.17 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3a1s h GLU 265 CO -0.02 1.05 -1.12 0.00 -1.16 0.00 0.00 179.01 177.76 3a1s n ALA 266 N -2.47 3.61 -2.34 3.43 0.00 0.13 -4.93 120.51 117.95 3a1s n ALA 266 Ca -0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 3a1s n ALA 266 Cb 0.99 -0.59 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 3a1s n ALA 266 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3a1s s PHE 267 N -2.76 2.31 0.00 0.00 0.08 -0.37 -0.49 117.98 116.75 3a1s s PHE 267 Ca 0.02 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.65 3a1s s PHE 267 Cb 0.12 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 3a1s s PHE 267 CO 0.68 0.09 0.00 0.00 -0.10 0.00 0.00 175.22 175.89