#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3l s VAL 2 N 0.00 3.28 0.02 3.84 1.01 -1.26 -3.94 120.40 123.35 1a3l s VAL 2 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1a3l s VAL 2 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1a3l s VAL 2 CO 0.00 0.02 -0.07 -1.10 0.00 0.00 0.00 175.10 173.95 1a3l s GLN 3 N 2.06 0.48 -0.21 2.72 -0.21 -0.60 -4.98 119.66 118.92 1a3l s GLN 3 Ca 0.68 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.56 1a3l s GLN 3 Cb -0.37 -0.33 0.05 0.00 1.00 0.00 0.00 33.01 33.36 1a3l s GLN 3 CO 0.30 0.07 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.96 1a3l s LEU 4 N -0.95 2.30 -0.32 2.90 1.43 -1.26 -0.67 118.68 122.11 1a3l s LEU 4 Ca -0.05 -1.00 -0.09 0.00 -1.03 0.00 0.00 54.13 51.97 1a3l s LEU 4 Cb -0.07 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1a3l s LEU 4 CO 0.00 -0.20 0.14 -1.61 0.23 0.00 0.00 176.35 174.91 1a3l s GLU 5 N 1.44 3.16 0.28 1.70 0.41 0.21 -4.13 118.70 121.77 1a3l s GLU 5 Ca -0.03 -0.83 -0.09 0.00 -0.41 0.00 0.00 54.97 53.61 1a3l s GLU 5 Cb -0.17 -3.53 -0.07 0.00 -1.78 0.00 0.00 34.13 28.58 1a3l s GLU 5 CO -0.07 -0.48 0.60 -1.21 -0.49 0.00 0.00 175.26 173.62 1a3l s GLU 6 N 1.56 3.78 0.90 1.61 2.02 -1.26 -0.77 118.70 126.54 1a3l s GLU 6 Ca 0.03 0.29 -0.11 0.00 0.02 0.00 0.00 54.97 55.20 1a3l s GLU 6 Cb -0.17 -2.59 0.13 0.00 0.10 0.00 0.00 34.13 31.60 1a3l s GLU 6 CO 0.05 0.23 1.09 -1.54 0.02 0.00 0.00 175.26 175.11 1a3l s SER 7 N -2.63 3.45 0.85 -0.19 1.04 -0.80 -4.99 113.70 110.42 1a3l s SER 7 Ca 0.48 1.53 -0.12 0.00 0.48 0.00 0.00 55.95 58.32 1a3l s SER 7 Cb -0.11 -2.20 0.10 0.00 0.10 0.00 0.00 66.02 63.91 1a3l s SER 7 CO 0.24 -2.66 1.13 -0.83 0.98 0.00 0.00 173.24 172.10 1a3l s GLY 8 N -3.37 1.59 0.53 7.32 0.00 -1.26 -4.62 107.32 107.51 1a3l s GLY 8 Ca 0.63 -0.44 -0.21 0.00 0.00 0.00 0.00 44.72 44.70 1a3l s GLY 8 CO 0.57 0.06 1.18 -1.05 0.00 0.00 0.00 173.10 173.86 1a3l n PRO 9 N -3.56 1.43 -5.17 2.90 -0.02 -1.26 -4.72 135.00 124.60 1a3l n PRO 9 Ca 0.07 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1a3l n PRO 9 Cb 0.58 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 1a3l n PRO 9 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1a3l s GLU 10 N -2.65 2.56 -0.24 -0.52 0.41 0.12 -4.98 118.70 113.40 1a3l s GLU 10 Ca 0.71 -0.85 0.02 0.00 -0.41 0.00 0.00 54.97 54.43 1a3l s GLU 10 Cb -0.45 -2.22 0.05 0.00 -1.78 0.00 0.00 34.13 29.73 1a3l s GLU 10 CO 0.50 0.43 -0.10 -1.17 -0.49 0.00 0.00 175.26 174.43 1a3l s LEU 11 N -0.27 2.92 0.07 1.80 2.96 -1.26 -0.31 118.68 124.59 1a3l s LEU 11 Ca -0.00 -1.20 -0.00 0.00 -0.22 0.00 0.00 54.13 52.71 1a3l s LEU 11 Cb -0.13 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1a3l s LEU 11 CO 0.03 -0.18 -0.04 0.68 -1.32 0.00 0.00 176.35 175.51 1a3l s VAL 12 N 1.24 0.38 0.26 1.68 -7.23 -0.36 -5.01 120.40 111.37 1a3l s VAL 12 Ca -0.06 -1.82 -0.14 0.00 -1.81 0.00 0.00 61.98 58.15 1a3l s VAL 12 Cb -0.19 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.14 1a3l s VAL 12 CO -0.06 -0.94 0.67 -0.13 -0.31 0.00 0.00 175.10 174.33 1a3l s ARG 13 N -3.79 3.99 0.62 4.82 0.52 -1.26 -1.30 118.95 122.55 1a3l s ARG 13 Ca 0.08 0.59 -0.18 0.00 -0.52 0.00 0.00 55.73 55.69 1a3l s ARG 13 Cb 0.06 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 1a3l s ARG 13 CO -0.08 0.28 1.11 -0.35 0.02 0.00 0.00 175.30 176.27 1a3l n PRO 14 N 0.02 1.02 0.00 3.54 -0.04 -1.26 -2.56 135.00 135.72 1a3l n PRO 14 Ca 0.01 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1a3l n PRO 14 Cb 0.52 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1a3l n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a3l n GLY 15 N 1.12 2.18 3.97 0.55 0.00 0.85 -4.89 105.19 108.98 1a3l n GLY 15 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1a3l n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a3l s THR 16 N -2.46 2.04 0.15 2.61 -4.23 -1.06 -4.27 115.64 108.42 1a3l s THR 16 Ca 0.00 -0.32 0.11 0.00 -1.18 0.00 0.00 61.69 60.30 1a3l s THR 16 Cb 0.00 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1a3l s THR 16 CO 0.00 0.00 -0.23 -0.44 -0.54 0.00 0.00 174.62 173.41 1a3l s SER 17 N -4.84 3.54 0.02 3.99 0.01 -1.26 -1.59 113.70 113.57 1a3l s SER 17 Ca 0.71 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1a3l s SER 17 Cb -0.04 -0.33 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1a3l s SER 17 CO 0.49 0.16 -0.04 0.54 0.41 0.00 0.00 173.24 174.79 1a3l s VAL 18 N -1.32 0.27 -0.23 3.43 0.11 0.33 -4.98 120.40 118.01 1a3l s VAL 18 Ca 0.18 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1a3l s VAL 18 Cb -0.09 -0.34 0.05 0.00 -1.53 0.00 0.00 36.38 34.47 1a3l s VAL 18 CO 0.09 -0.28 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.72 1a3l s LYS 19 N -1.04 2.12 0.18 1.54 2.20 -1.26 -0.35 119.74 123.13 1a3l s LYS 19 Ca -0.09 -1.08 0.07 0.00 -0.36 0.00 0.00 55.97 54.51 1a3l s LYS 19 Cb -0.07 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 1a3l s LYS 19 CO -0.00 -0.50 0.05 0.96 -0.36 0.00 0.00 175.35 175.49 1a3l s ILE 20 N 1.26 3.95 0.15 5.43 -4.36 -0.36 -4.96 121.20 122.32 1a3l s ILE 20 Ca -0.05 -1.35 0.05 0.00 -0.26 0.00 0.00 60.65 59.04 1a3l s ILE 20 Cb -0.18 -3.01 -0.04 0.00 1.25 0.00 0.00 42.46 40.48 1a3l s ILE 20 CO -0.07 -0.13 -0.11 -0.94 0.24 0.00 0.00 174.94 173.93 1a3l s SER 21 N -3.06 1.88 -0.35 4.36 1.04 -1.26 -1.45 113.70 114.86 1a3l s SER 21 Ca 0.29 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 1a3l s SER 21 Cb -0.09 -0.03 0.12 0.00 0.10 0.00 0.00 66.02 66.12 1a3l s SER 21 CO 0.20 -0.29 0.18 0.00 0.98 0.00 0.00 173.24 174.31 1a3l s LYS 23 N 1.26 4.29 0.06 0.00 2.20 0.05 -1.21 119.74 126.39 1a3l s LYS 23 Ca 0.15 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1a3l s LYS 23 Cb -0.21 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1a3l s LYS 23 CO -0.11 -0.39 0.18 0.00 -0.36 0.00 0.00 175.35 174.67 1a3l s ALA 24 N 2.36 3.92 0.19 3.13 0.00 -0.23 0.68 121.76 131.81 1a3l s ALA 24 Ca 0.40 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 1a3l s ALA 24 Cb -0.16 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.21 1a3l s ALA 24 CO 0.12 0.81 0.41 -1.54 0.00 0.00 0.00 175.76 175.56 1a3l s SER 25 N -2.44 -0.10 0.00 0.00 1.04 0.15 -4.86 113.70 107.49 1a3l s SER 25 Ca 0.33 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1a3l s SER 25 Cb -0.13 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1a3l s SER 25 CO 0.26 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1a3l n GLY 26 N -0.30 0.76 3.84 7.32 0.00 -1.25 -1.55 105.19 114.01 1a3l n GLY 26 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1a3l n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a3l s TYR 27 N -2.74 -0.11 -0.43 1.61 1.13 -1.26 -4.37 117.35 111.18 1a3l s TYR 27 Ca 0.00 -0.40 -0.29 0.00 -1.41 0.00 0.00 57.07 54.98 1a3l s TYR 27 Cb 0.00 0.74 0.02 0.00 -1.10 0.00 0.00 41.96 41.61 1a3l s TYR 27 CO 0.00 -1.30 1.32 0.99 -2.51 0.00 0.00 175.55 174.06 1a3l s THR 28 N -3.48 4.00 0.27 -3.49 2.01 -1.26 -4.89 115.64 108.80 1a3l s THR 28 Ca 0.12 1.02 -0.04 0.00 0.31 0.00 0.00 61.69 63.10 1a3l s THR 28 Cb -0.06 -4.33 0.25 0.00 0.01 0.00 0.00 72.50 68.37 1a3l s THR 28 CO 0.08 -0.84 1.93 0.15 -0.69 0.00 0.00 174.62 175.25 1a3l h PHE 29 N 10.22 1.13 0.00 4.92 3.57 -1.97 -2.10 116.94 132.71 1a3l h PHE 29 Ca -0.26 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1a3l h PHE 29 Cb 1.09 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1a3l h PHE 29 CO 0.97 0.73 0.00 0.25 -2.23 0.00 0.00 178.31 178.04 1a3l n THR 30 N -4.38 0.76 1.02 4.41 -2.24 -1.26 -3.49 114.28 109.11 1a3l n THR 30 Ca 0.10 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1a3l n THR 30 Cb 0.05 -1.00 0.21 0.00 -2.10 0.00 0.00 70.33 67.48 1a3l n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a3l n ASN 31 N -2.23 0.63 -4.21 3.42 3.02 -0.79 -2.10 115.26 113.00 1a3l n ASN 31 Ca 0.03 -0.42 -0.24 0.00 -0.03 0.00 0.00 54.58 53.92 1a3l n ASN 31 Cb 0.28 0.34 -0.14 0.00 -0.61 0.00 0.00 39.78 39.65 1a3l n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1a3l s TYR 32 N -2.95 1.61 0.41 3.10 1.51 -1.23 -5.06 117.35 114.75 1a3l s TYR 32 Ca 0.12 -0.35 -0.24 0.00 -1.01 0.00 0.00 57.07 55.59 1a3l s TYR 32 Cb 0.17 -0.98 -0.09 0.00 -0.11 0.00 0.00 41.96 40.96 1a3l s TYR 32 CO 0.70 0.05 1.07 -1.58 -1.11 0.00 0.00 175.55 174.69 1a3l s TRP 33 N -0.73 3.18 -0.05 2.71 0.52 -1.26 -4.30 118.94 119.01 1a3l s TRP 33 Ca 0.06 1.62 0.06 0.00 0.02 0.00 0.00 56.10 57.85 1a3l s TRP 33 Cb -0.08 -3.18 -0.01 0.00 -1.15 0.00 0.00 33.47 29.04 1a3l s TRP 33 CO 0.01 -0.82 -0.23 -0.51 0.02 0.00 0.00 176.95 175.42 1a3l s LEU 34 N -2.72 2.19 0.18 2.99 1.43 -0.65 -1.57 118.68 120.53 1a3l s LEU 34 Ca 0.59 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.34 1a3l s LEU 34 Cb -0.23 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1a3l s LEU 34 CO 0.29 0.27 -0.20 -0.83 0.23 0.00 0.00 176.35 176.11 1a3l s GLY 35 N -0.28 1.70 -0.04 -3.19 0.00 0.21 -0.75 107.32 104.97 1a3l s GLY 35 Ca 0.00 -1.56 0.07 0.00 0.00 0.00 0.00 44.72 43.23 1a3l s GLY 35 CO 0.03 -1.57 -0.24 -0.98 0.00 0.00 0.00 173.10 170.33 1a3l s TRP 36 N -1.57 2.25 0.08 1.90 0.52 0.10 -0.42 118.94 121.80 1a3l s TRP 36 Ca 0.21 -0.54 0.04 0.00 0.02 0.00 0.00 56.10 55.83 1a3l s TRP 36 Cb -0.09 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1a3l s TRP 36 CO 0.11 -0.12 -0.11 0.14 0.02 0.00 0.00 176.95 176.99 1a3l s VAL 37 N -0.37 0.94 -0.11 4.03 -7.23 -0.55 -1.27 120.40 115.83 1a3l s VAL 37 Ca 0.04 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1a3l s VAL 37 Cb -0.11 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 1a3l s VAL 37 CO 0.01 -0.38 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.64 1a3l s LYS 38 N -2.10 3.22 -0.25 4.82 2.20 0.11 -1.57 119.74 126.16 1a3l s LYS 38 Ca -0.01 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1a3l s LYS 38 Cb -0.07 -2.80 0.08 0.00 -1.51 0.00 0.00 37.83 33.53 1a3l s LYS 38 CO 0.01 0.50 0.05 -1.14 -0.36 0.00 0.00 175.35 174.41 1a3l s GLN 39 N -0.34 0.81 0.27 4.03 0.74 0.07 -1.35 119.66 123.89 1a3l s GLN 39 Ca 0.06 -0.80 -0.27 0.00 0.05 0.00 0.00 55.36 54.41 1a3l s GLN 39 Cb -0.12 -2.11 -0.09 0.00 1.10 0.00 0.00 33.01 31.78 1a3l s GLN 39 CO 0.02 -0.80 0.91 1.03 -0.55 0.00 0.00 175.29 175.90 1a3l s ARG 40 N 1.69 4.64 -0.35 1.67 0.52 -1.25 -0.79 118.95 125.07 1a3l s ARG 40 Ca 0.03 1.32 -0.39 0.00 -0.52 0.00 0.00 55.73 56.17 1a3l s ARG 40 Cb -0.17 -2.99 -0.14 0.00 0.52 0.00 0.00 34.95 32.16 1a3l s ARG 40 CO -0.16 0.39 2.00 -2.30 0.02 0.00 0.00 175.30 175.25 1a3l n PRO 41 N 0.95 0.89 -1.06 3.54 -0.02 -1.26 0.19 135.00 138.22 1a3l n PRO 41 Ca -0.00 0.28 -0.02 0.00 -2.02 0.00 0.00 63.50 61.74 1a3l n PRO 41 Cb 0.49 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1a3l n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a3l n GLY 42 N 5.79 0.56 3.79 -1.23 0.00 -1.26 -5.03 105.19 107.80 1a3l n GLY 42 Ca 0.38 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1a3l n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a3l s HIS 43 N -2.05 2.31 0.00 1.61 3.76 0.50 -5.15 115.29 116.27 1a3l s HIS 43 Ca 0.00 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 1a3l s HIS 43 Cb 0.00 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.76 1a3l s HIS 43 CO 0.00 0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 1a3l n GLY 44 N -1.38 0.52 3.68 -2.22 0.00 -1.26 -4.53 105.19 100.00 1a3l n GLY 44 Ca -0.03 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 1a3l n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a3l s PHE 45 N 0.55 3.07 -0.04 1.61 0.08 -1.26 -3.96 117.98 118.03 1a3l s PHE 45 Ca 0.00 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.15 1a3l s PHE 45 Cb 0.00 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 1a3l s PHE 45 CO 0.00 0.45 -0.09 -1.21 -0.10 0.00 0.00 175.22 174.28 1a3l s GLU 46 N -1.48 1.12 -0.01 0.44 2.02 -0.46 -4.96 118.70 115.36 1a3l s GLU 46 Ca 0.19 -0.29 -0.25 0.00 0.02 0.00 0.00 54.97 54.64 1a3l s GLU 46 Cb -0.11 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 1a3l s GLU 46 CO 0.09 0.05 0.75 -0.46 0.02 0.00 0.00 175.26 175.72 1a3l s TRP 47 N 0.47 3.65 -0.22 1.61 -0.00 -1.26 0.06 118.94 123.25 1a3l s TRP 47 Ca -0.08 1.39 -0.10 0.00 -0.00 0.00 0.00 56.10 57.31 1a3l s TRP 47 Cb -0.12 -2.84 -0.10 0.00 -0.00 0.00 0.00 33.47 30.41 1a3l s TRP 47 CO 0.01 0.16 -0.28 -0.89 -0.00 0.00 0.00 176.95 175.95 1a3l n ILE 48 N 3.39 1.22 0.00 5.86 5.41 -0.40 -4.69 119.36 130.15 1a3l n ILE 48 Ca -0.01 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1a3l n ILE 48 Cb 0.51 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 1a3l n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a3l n GLY 49 N 1.71 0.73 3.41 7.39 0.00 -1.21 -1.09 105.19 116.12 1a3l n GLY 49 Ca -0.43 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1a3l n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a3l s ASP 50 N 0.00 3.42 -0.02 1.61 1.11 -0.61 -0.72 116.67 121.46 1a3l s ASP 50 Ca 0.00 -0.69 0.01 0.00 0.18 0.00 0.00 52.55 52.05 1a3l s ASP 50 Cb 0.00 -0.30 0.01 0.00 1.07 0.00 0.00 42.92 43.70 1a3l s ASP 50 CO 0.00 0.19 -0.02 -0.51 1.18 0.00 0.00 175.17 176.01 1a3l s ILE 51 N -1.04 0.27 -0.40 0.77 2.07 0.07 -2.07 121.20 120.87 1a3l s ILE 51 Ca 0.15 -0.04 -0.10 0.00 -1.41 0.00 0.00 60.65 59.24 1a3l s ILE 51 Cb -0.10 -0.30 0.05 0.00 0.13 0.00 0.00 42.46 42.24 1a3l s ILE 51 CO 0.06 0.13 0.24 -0.47 -1.91 0.00 0.00 174.94 172.99 1a3l s TYR 52 N 0.55 3.29 0.31 3.50 5.04 0.13 -1.64 117.35 128.52 1a3l s TYR 52 Ca -0.06 -1.25 0.25 0.00 -2.44 0.00 0.00 57.07 53.57 1a3l s TYR 52 Cb -0.09 -2.71 1.20 0.00 0.35 0.00 0.00 41.96 40.71 1a3l s TYR 52 CO -0.01 -0.76 1.96 -1.35 -1.34 0.00 0.00 175.55 174.06 1a3l h PRO 52 N 8.43 0.00 0.00 4.97 0.11 -1.76 -1.53 132.00 142.22 1a3l h PRO 52 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1a3l h PRO 52 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1a3l h PRO 52 CO 0.72 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 1a3l n GLY 53 N -0.35 -1.03 0.00 -0.55 0.00 -0.89 -4.30 105.19 98.07 1a3l n GLY 53 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1a3l n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3l n GLY 54 N 0.00 0.59 3.69 -0.02 0.00 -0.85 -4.94 105.19 103.66 1a3l n GLY 54 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1a3l n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3l s VAL 55 N -0.46 4.91 0.17 1.61 1.01 -1.26 -5.17 120.40 121.21 1a3l s VAL 55 Ca 0.00 1.71 0.10 0.00 0.00 0.00 0.00 61.98 63.79 1a3l s VAL 55 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1a3l s VAL 55 CO 0.00 0.10 -0.18 -0.31 0.00 0.00 0.00 175.10 174.72 1a3l s TYR 56 N 1.61 2.47 0.03 5.22 2.02 -0.63 -4.94 117.35 123.12 1a3l s TYR 56 Ca 0.42 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 1a3l s TYR 56 Cb -0.18 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1a3l s TYR 56 CO 0.17 0.48 -0.05 0.95 -1.57 0.00 0.00 175.55 175.54 1a3l s THR 57 N -1.58 0.28 -0.06 -0.71 -4.23 -1.26 0.21 115.64 108.30 1a3l s THR 57 Ca 0.22 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 1a3l s THR 57 Cb -0.09 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.20 1a3l s THR 57 CO 0.12 -0.53 -0.15 0.42 -0.54 0.00 0.00 174.62 173.94 1a3l s THR 58 N -1.77 1.32 0.13 3.99 -4.23 -0.88 -5.00 115.64 109.19 1a3l s THR 58 Ca -0.11 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.83 1a3l s THR 58 Cb -0.08 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 1a3l s THR 58 CO -0.02 0.39 -0.12 0.20 -0.54 0.00 0.00 174.62 174.53 1a3l s ASN 59 N 0.32 1.85 -0.49 3.99 -0.87 -1.26 -1.57 114.94 116.91 1a3l s ASN 59 Ca -0.09 -0.88 -0.24 0.00 -1.57 0.00 0.00 52.86 50.08 1a3l s ASN 59 Cb -0.14 -0.04 0.03 0.00 -0.02 0.00 0.00 41.25 41.09 1a3l s ASN 59 CO 0.03 -0.22 0.87 0.21 -2.57 0.00 0.00 177.10 175.42 1a3l s ASN 60 N -2.69 6.40 0.41 -1.22 3.84 -0.25 -4.92 114.94 116.51 1a3l s ASN 60 Ca 0.11 -0.18 0.28 0.00 0.21 0.00 0.00 52.86 53.27 1a3l s ASN 60 Cb -0.02 -2.42 1.46 0.00 -0.55 0.00 0.00 41.25 39.72 1a3l s ASN 60 CO 0.02 -1.06 1.85 -0.33 -2.79 0.00 0.00 177.10 174.78 1a3l h GLU 61 N 9.13 0.00 -0.02 0.43 4.39 -1.95 0.17 114.58 126.73 1a3l h GLU 61 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1a3l h GLU 61 Cb 1.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1a3l h GLU 61 CO 1.02 0.00 0.03 -0.22 -1.16 0.00 0.00 179.01 178.68 1a3l h LYS 62 N 0.00 0.00 -0.54 2.33 3.64 -1.96 -2.26 116.57 117.78 1a3l h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a3l h LYS 62 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1a3l h LYS 62 CO 0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 1a3l n PHE 63 N -3.53 1.16 -1.84 1.91 3.01 0.59 -4.96 117.46 113.81 1a3l n PHE 63 Ca -0.03 -0.62 -0.42 0.00 1.01 0.00 0.00 57.45 57.40 1a3l n PHE 63 Cb 0.11 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 39.36 1a3l n PHE 63 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1a3l s ARG 64 N -1.74 4.17 0.00 -1.08 3.52 -0.85 -0.77 118.95 122.20 1a3l s ARG 64 Ca 0.44 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.49 1a3l s ARG 64 Cb 0.28 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1a3l s ARG 64 CO 0.21 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.36 1a3l n GLY 65 N 4.04 0.92 0.19 8.12 0.00 -1.26 -4.84 105.19 112.35 1a3l n GLY 65 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1a3l n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a3l n LYS 66 N -2.00 0.44 -4.60 1.61 3.00 0.06 -4.84 118.16 111.82 1a3l n LYS 66 Ca 0.00 0.13 -0.22 0.00 -0.00 0.00 0.00 58.31 58.22 1a3l n LYS 66 Cb 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 35.03 33.57 1a3l n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a3l s ALA 67 N -2.36 1.25 -0.02 3.14 0.00 -0.80 -4.09 121.76 118.87 1a3l s ALA 67 Ca -0.25 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1a3l s ALA 67 Cb 0.08 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1a3l s ALA 67 CO 0.40 0.29 -0.03 -1.50 0.00 0.00 0.00 175.76 174.91 1a3l s ILE 68 N -0.50 0.37 -0.13 0.00 2.07 -0.53 -4.83 121.20 117.65 1a3l s ILE 68 Ca 0.05 -0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.15 1a3l s ILE 68 Cb -0.06 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 1a3l s ILE 68 CO 0.00 0.16 0.06 -0.76 -1.91 0.00 0.00 174.94 172.49 1a3l s LEU 69 N 0.57 3.86 0.13 8.50 1.43 -1.26 -1.72 118.68 130.19 1a3l s LEU 69 Ca -0.06 0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1a3l s LEU 69 Cb -0.10 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1a3l s LEU 69 CO -0.00 0.30 0.16 0.42 0.23 0.00 0.00 176.35 177.46 1a3l s THR 70 N -0.42 0.11 0.01 5.49 -4.23 -0.85 -5.02 115.64 110.73 1a3l s THR 70 Ca 0.09 -1.56 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1a3l s THR 70 Cb -0.12 -1.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 1a3l s THR 70 CO 0.02 -0.49 0.13 0.00 -0.54 0.00 0.00 174.62 173.73 1a3l s ALA 71 N -3.97 -0.29 -0.29 3.99 0.00 -1.26 -0.88 121.76 119.06 1a3l s ALA 71 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1a3l s ALA 71 Cb 0.05 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.36 1a3l s ALA 71 CO -0.03 -0.21 -0.03 0.34 0.00 0.00 0.00 175.76 175.83 1a3l s ASP 72 N -1.42 4.70 0.25 0.00 2.15 0.10 -4.99 116.67 117.46 1a3l s ASP 72 Ca -0.15 -1.49 -0.05 0.00 0.43 0.00 0.00 52.55 51.30 1a3l s ASP 72 Cb -0.08 -1.64 0.28 0.00 -0.30 0.00 0.00 42.92 41.19 1a3l s ASP 72 CO 0.01 -0.26 1.82 0.74 -0.17 0.00 0.00 175.17 177.31 1a3l h THR 73 N 6.61 1.24 -0.18 1.71 2.02 -1.92 -0.44 112.91 121.96 1a3l h THR 73 Ca -0.17 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1a3l h THR 73 Cb 1.05 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1a3l h THR 73 CO 0.51 0.31 0.12 0.77 0.37 0.00 0.00 175.52 177.59 1a3l h SER 74 N 1.05 0.21 -0.02 4.18 4.64 -1.97 -2.94 113.55 118.69 1a3l h SER 74 Ca 0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1a3l h SER 74 Cb 0.19 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1a3l h SER 74 CO -0.02 0.16 0.00 -1.54 -0.87 0.00 0.00 176.83 174.55 1a3l n SER 75 N -4.51 2.23 -3.88 4.97 3.41 -1.04 -4.99 113.62 109.81 1a3l n SER 75 Ca -0.00 -2.45 -0.25 0.00 -0.26 0.00 0.00 58.87 55.91 1a3l n SER 75 Cb 0.08 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1a3l n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a3l n SER 76 N -0.82 -1.35 -4.06 4.04 7.64 -0.20 -4.80 113.62 114.07 1a3l n SER 76 Ca 0.07 -0.91 -0.26 0.00 1.01 0.00 0.00 58.87 58.78 1a3l n SER 76 Cb 0.43 -3.48 -0.17 0.00 -1.01 0.00 0.00 64.21 59.98 1a3l n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1a3l s THR 77 N -3.73 1.31 -0.08 0.44 2.01 -1.04 -1.06 115.64 113.49 1a3l s THR 77 Ca 0.14 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1a3l s THR 77 Cb -0.07 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1a3l s THR 77 CO 0.86 0.39 0.15 0.00 -0.69 0.00 0.00 174.62 175.33 1a3l s ALA 78 N 0.60 3.88 0.14 7.40 0.00 -0.35 -0.73 121.76 132.70 1a3l s ALA 78 Ca -0.15 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1a3l s ALA 78 Cb -0.16 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1a3l s ALA 78 CO 0.05 0.67 -0.20 0.71 0.00 0.00 0.00 175.76 176.98 1a3l s TYR 79 N -1.14 1.87 -0.10 0.00 2.02 -0.06 -0.17 117.35 119.78 1a3l s TYR 79 Ca 0.20 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1a3l s TYR 79 Cb -0.12 -0.98 0.02 0.00 -0.40 0.00 0.00 41.96 40.48 1a3l s TYR 79 CO 0.10 0.29 -0.09 1.41 -1.57 0.00 0.00 175.55 175.68 1a3l s MET 80 N -2.36 1.59 -0.26 -0.62 -2.45 -0.53 -2.01 119.30 112.68 1a3l s MET 80 Ca 0.12 -0.31 -0.09 0.00 -1.25 0.00 0.00 55.69 54.16 1a3l s MET 80 Cb -0.08 -1.55 -0.04 0.00 1.25 0.00 0.00 34.83 34.41 1a3l s MET 80 CO 0.06 -0.19 0.12 -1.14 1.05 0.00 0.00 175.02 174.92 1a3l s GLN 81 N 1.41 3.80 0.25 4.11 0.74 -0.70 -1.22 119.66 128.05 1a3l s GLN 81 Ca -0.00 -0.40 0.09 0.00 0.05 0.00 0.00 55.36 55.09 1a3l s GLN 81 Cb -0.13 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 1a3l s GLN 81 CO -0.05 -0.15 0.01 -0.51 -0.55 0.00 0.00 175.29 174.04 1a3l s LEU 82 N 1.57 3.25 -0.03 3.68 1.43 0.53 -1.46 118.68 127.65 1a3l s LEU 82 Ca 0.06 -0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1a3l s LEU 82 Cb -0.15 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1a3l s LEU 82 CO 0.06 0.02 0.01 -1.20 0.23 0.00 0.00 176.35 175.47 1a3l n SER 82 N -0.74 -0.02 -4.70 2.29 7.64 -1.09 -0.52 113.62 116.47 1a3l n SER 82 Ca -0.07 -0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1a3l n SER 82 Cb 0.58 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.77 1a3l n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a3l n LEU 82 N -0.66 4.32 -4.30 -3.43 4.77 -0.62 -4.52 117.00 112.56 1a3l n LEU 82 Ca 0.00 1.06 -0.16 0.00 -0.03 0.00 0.00 56.01 56.88 1a3l n LEU 82 Cb 0.01 -1.51 -0.10 0.00 -2.33 0.00 0.00 43.42 39.49 1a3l n LEU 82 CO 0.02 -0.71 -0.28 0.42 -1.33 0.00 0.00 177.39 175.51 1a3l s THR 83 N -1.24 0.62 0.65 -5.08 -4.23 -1.26 -0.10 115.64 105.00 1a3l s THR 83 Ca 0.64 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 59.56 1a3l s THR 83 Cb -0.48 -2.49 0.42 0.00 1.34 0.00 0.00 72.50 71.29 1a3l s THR 83 CO 0.56 -0.14 2.33 0.77 -0.54 0.00 0.00 174.62 177.60 1a3l h SER 84 N 2.46 0.00 0.20 3.99 4.64 -1.96 0.29 113.55 123.16 1a3l h SER 84 Ca -0.38 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1a3l h SER 84 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1a3l h SER 84 CO 0.62 0.00 -0.17 -0.33 -0.87 0.00 0.00 176.83 176.07 1a3l h GLU 85 N 0.00 0.00 -0.00 4.77 4.39 -1.96 -1.94 114.58 119.84 1a3l h GLU 85 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a3l h GLU 85 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1a3l h GLU 85 CO -0.00 0.17 -0.13 -0.25 -1.16 0.00 0.00 179.01 177.64 1a3l n ASP 86 N -4.24 0.14 -4.61 1.42 8.00 0.10 -4.81 116.55 112.55 1a3l n ASP 86 Ca -0.02 0.28 -0.43 0.00 0.71 0.00 0.00 54.79 55.33 1a3l n ASP 86 Cb 0.24 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1a3l n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a3l s SER 87 N -2.99 5.99 0.23 -2.24 0.01 -0.73 -4.87 113.70 109.10 1a3l s SER 87 Ca 0.14 1.62 -0.22 0.00 1.31 0.00 0.00 55.95 58.79 1a3l s SER 87 Cb 0.19 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.95 1a3l s SER 87 CO 0.57 -1.57 0.89 0.00 0.41 0.00 0.00 173.24 173.54 1a3l s ALA 88 N 6.48 -1.40 -0.19 1.44 0.00 -0.81 -4.42 121.76 122.87 1a3l s ALA 88 Ca 0.82 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1a3l s ALA 88 Cb -0.27 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 1a3l s ALA 88 CO 0.33 -1.04 0.21 0.08 0.00 0.00 0.00 175.76 175.35 1a3l s VAL 89 N -3.08 5.35 -0.15 0.00 1.01 0.03 -0.85 120.40 122.71 1a3l s VAL 89 Ca 0.14 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1a3l s VAL 89 Cb -0.03 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1a3l s VAL 89 CO 0.05 0.40 -0.01 -0.31 0.00 0.00 0.00 175.10 175.24 1a3l s TYR 90 N 0.50 3.10 0.02 5.22 1.51 0.22 -0.75 117.35 127.18 1a3l s TYR 90 Ca 0.12 -0.13 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 1a3l s TYR 90 Cb -0.12 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1a3l s TYR 90 CO 0.01 0.08 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.30 1a3l s PHE 91 N 0.20 2.58 0.14 2.71 0.08 -0.61 0.17 117.98 123.25 1a3l s PHE 91 Ca -0.00 -0.25 0.05 0.00 0.12 0.00 0.00 56.93 56.85 1a3l s PHE 91 Cb -0.13 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 1a3l s PHE 91 CO 0.02 0.23 0.09 0.00 -0.10 0.00 0.00 175.22 175.45 1a3l s ALA 93 N -1.62 -0.80 -0.10 0.00 0.00 0.44 -1.32 121.76 118.37 1a3l s ALA 93 Ca 0.29 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.66 1a3l s ALA 93 Cb -0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1a3l s ALA 93 CO 0.22 -0.21 0.50 0.50 0.00 0.00 0.00 175.76 176.77 1a3l s ARG 94 N -0.67 4.32 -0.39 0.00 3.52 -0.42 0.65 118.95 125.97 1a3l s ARG 94 Ca -0.08 0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 55.75 1a3l s ARG 94 Cb -0.04 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1a3l s ARG 94 CO 0.03 0.20 1.28 0.00 -0.81 0.00 0.00 175.30 175.99 1a3l s ALA 95 N 0.46 3.20 -0.34 6.12 0.00 -0.61 -1.50 121.76 129.10 1a3l s ALA 95 Ca 0.27 -0.17 0.22 0.00 0.00 0.00 0.00 51.96 52.28 1a3l s ALA 95 Cb -0.16 -3.86 1.07 0.00 0.00 0.00 0.00 23.12 20.17 1a3l s ALA 95 CO 0.12 -2.12 1.67 0.41 0.00 0.00 0.00 175.76 175.84 1a3l n GLY 96 N 4.71 -1.04 0.00 0.00 0.00 -1.26 -4.29 105.19 103.30 1a3l n GLY 96 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1a3l n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3l n GLY 97 N -0.72 -0.60 3.56 -0.02 0.00 -1.26 -5.01 105.19 101.15 1a3l n GLY 97 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1a3l n GLY 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a3l s TYR 98 N -4.00 1.91 -1.48 1.61 5.04 -1.26 -3.65 117.35 115.53 1a3l s TYR 98 Ca 0.00 0.41 -0.11 0.00 -2.44 0.00 0.00 57.07 54.93 1a3l s TYR 98 Cb 0.00 -4.15 0.06 0.00 0.35 0.00 0.00 41.96 38.22 1a3l s TYR 98 CO 0.00 -1.80 0.97 0.66 -1.34 0.00 0.00 175.55 174.04 1a3l n TYR 99 N 13.11 -2.33 -0.09 4.97 4.01 -1.26 -5.25 117.16 130.33 1a3l n TYR 99 Ca 0.38 0.91 -0.11 0.00 -0.16 0.00 0.00 57.90 58.92 1a3l n TYR 99 Cb 0.48 -4.19 -0.10 0.00 -0.31 0.00 0.00 39.34 35.22 1a3l n TYR 99 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1a3l n THR 100 N -4.67 1.05 -2.44 -0.72 -2.24 -1.24 -5.13 114.28 98.90 1a3l n THR 100 Ca -0.01 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 1a3l n THR 100 Cb 0.55 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 1a3l n THR 100 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a3l s GLY 100 N -5.45 1.23 0.14 3.38 0.00 -1.26 -4.77 107.32 100.60 1a3l s GLY 100 Ca -0.19 -0.17 0.23 0.00 0.00 0.00 0.00 44.72 44.59 1a3l s GLY 100 CO 0.50 2.63 1.03 2.09 0.00 0.00 0.00 173.10 179.34 1a3l n ASP 101 N 8.24 0.71 -3.97 1.64 5.75 -0.56 -4.85 116.55 123.52 1a3l n ASP 101 Ca 0.15 0.18 -0.17 0.00 -0.01 0.00 0.00 54.79 54.94 1a3l n ASP 101 Cb 0.48 0.60 -0.15 0.00 -1.03 0.00 0.00 41.12 41.02 1a3l n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1a3l s TYR 102 N -3.32 0.55 0.01 2.11 2.02 -1.25 -5.03 117.35 112.43 1a3l s TYR 102 Ca 0.00 -0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 1a3l s TYR 102 Cb 0.11 -0.36 -0.02 0.00 -0.40 0.00 0.00 41.96 41.30 1a3l s TYR 102 CO 0.79 -0.01 -0.15 -1.58 -1.57 0.00 0.00 175.55 173.02 1a3l s TRP 103 N -0.11 1.36 0.94 2.71 0.52 -1.26 -1.30 118.94 121.80 1a3l s TRP 103 Ca 0.02 -0.30 -0.12 0.00 0.02 0.00 0.00 56.10 55.71 1a3l s TRP 103 Cb -0.03 -0.84 0.15 0.00 -1.15 0.00 0.00 33.47 31.60 1a3l s TRP 103 CO -0.00 0.01 1.11 0.20 0.02 0.00 0.00 176.95 178.29 1a3l s GLY 104 N -0.74 1.58 0.00 0.98 0.00 -0.43 -4.54 107.32 104.17 1a3l s GLY 104 Ca 0.05 -0.39 0.29 0.00 0.00 0.00 0.00 44.72 44.66 1a3l s GLY 104 CO 0.00 0.17 1.91 0.61 0.00 0.00 0.00 173.10 175.80 1a3l n GLN 105 N -3.91 0.87 0.00 2.90 0.00 -1.26 -4.78 117.38 111.19 1a3l n GLN 105 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 57.00 56.77 1a3l n GLN 105 Cb 0.58 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.32 1a3l n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a3l n GLY 106 N 1.22 -0.43 3.21 2.61 0.00 -1.26 -5.01 105.19 105.52 1a3l n GLY 106 Ca 0.17 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1a3l n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3l s THR 107 N -3.05 2.43 -0.28 2.61 2.01 0.13 -4.89 115.64 114.59 1a3l s THR 107 Ca 0.00 -0.84 -0.23 0.00 0.31 0.00 0.00 61.69 60.93 1a3l s THR 107 Cb 0.00 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 1a3l s THR 107 CO 0.00 0.52 0.78 -0.55 -0.69 0.00 0.00 174.62 174.68 1a3l s SER 108 N 1.02 6.70 -0.18 3.53 0.15 -1.26 -0.61 113.70 123.05 1a3l s SER 108 Ca -0.02 0.77 -0.05 0.00 0.70 0.00 0.00 55.95 57.36 1a3l s SER 108 Cb -0.15 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1a3l s SER 108 CO -0.05 -0.56 -0.01 -0.69 1.20 0.00 0.00 173.24 173.14 1a3l s VAL 109 N 2.87 3.99 -0.19 4.45 1.01 -0.03 0.11 120.40 132.61 1a3l s VAL 109 Ca 0.32 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1a3l s VAL 109 Cb -0.15 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.48 1a3l s VAL 109 CO 0.11 0.45 -0.15 -0.89 0.00 0.00 0.00 175.10 174.62 1a3l s THR 110 N 0.72 1.84 -0.50 3.92 2.01 0.58 -1.92 115.64 122.29 1a3l s THR 110 Ca -0.00 -0.98 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 1a3l s THR 110 Cb -0.14 -1.78 0.10 0.00 0.01 0.00 0.00 72.50 70.68 1a3l s THR 110 CO 0.02 0.33 0.43 -0.69 -0.69 0.00 0.00 174.62 174.02 1a3l s VAL 111 N 1.34 5.15 -0.10 3.82 1.01 -1.26 -1.22 120.40 129.14 1a3l s VAL 111 Ca 0.01 -1.27 -0.17 0.00 0.00 0.00 0.00 61.98 60.56 1a3l s VAL 111 Cb -0.15 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.10 1a3l s VAL 111 CO -0.10 -0.69 0.42 -0.55 0.00 0.00 0.00 175.10 174.18 1a3l s SER 112 N 2.96 -0.39 0.27 3.32 0.15 -0.42 -4.41 113.70 115.19 1a3l s SER 112 Ca 0.04 0.59 0.23 0.00 0.70 0.00 0.00 55.95 57.51 1a3l s SER 112 Cb -0.26 0.66 0.18 0.00 -1.71 0.00 0.00 66.02 64.88 1a3l s SER 112 CO 0.05 -0.30 1.29 0.28 1.20 0.00 0.00 173.24 175.75 1a3l h SER 113 N 4.64 0.00 -3.26 5.45 0.02 -1.96 -3.36 113.55 115.08 1a3l h SER 113 Ca -0.28 -0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.07 1a3l h SER 113 Cb 1.17 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.86 1a3l h SER 113 CO 0.31 0.01 0.15 0.00 -1.14 0.00 0.00 176.83 176.16 1a3l n ALA 114 N -2.10 0.22 -2.68 3.77 0.00 -1.26 -4.99 120.51 113.47 1a3l n ALA 114 Ca 0.02 0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.33 1a3l n ALA 114 Cb 0.53 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 1a3l n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a3l s LYS 115 N -2.26 3.56 0.24 0.00 -0.14 -1.26 -5.03 119.74 114.85 1a3l s LYS 115 Ca 0.67 -0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 54.76 1a3l s LYS 115 Cb -0.50 -2.77 -0.11 0.00 -1.68 0.00 0.00 37.83 32.77 1a3l s LYS 115 CO 0.54 0.34 1.54 0.99 -0.76 0.00 0.00 175.35 177.99 1a3l s THR 116 N -1.94 2.41 -0.04 2.17 2.01 -1.26 -4.78 115.64 114.21 1a3l s THR 116 Ca 0.40 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.73 1a3l s THR 116 Cb -0.11 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1a3l s THR 116 CO 0.29 0.05 0.01 -0.89 -0.69 0.00 0.00 174.62 173.39 1a3l s THR 117 N 0.30 0.17 0.60 -0.82 2.01 -0.02 -4.95 115.64 112.93 1a3l s THR 117 Ca 0.64 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.66 1a3l s THR 117 Cb -0.45 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1a3l s THR 117 CO 0.42 0.19 1.05 -2.16 -0.69 0.00 0.00 174.62 173.42 1a3l s PRO 118 N 1.55 3.32 0.49 4.92 0.04 -1.26 -1.42 135.00 142.64 1a3l s PRO 118 Ca -0.02 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 1a3l s PRO 118 Cb -0.13 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1a3l s PRO 118 CO -0.03 -0.80 0.93 -1.25 0.04 0.00 0.00 177.00 175.89 1a3l s PRO 119 N -4.23 3.87 -0.16 0.56 0.04 -1.26 -4.38 135.00 129.44 1a3l s PRO 119 Ca 0.62 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.32 1a3l s PRO 119 Cb -0.15 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1a3l s PRO 119 CO 0.39 -0.23 0.29 -1.12 0.04 0.00 0.00 177.00 176.38 1a3l s SER 120 N -3.19 6.44 -0.21 6.66 0.01 0.10 -4.91 113.70 118.61 1a3l s SER 120 Ca 0.56 0.52 -0.02 0.00 1.31 0.00 0.00 55.95 58.32 1a3l s SER 120 Cb -0.10 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1a3l s SER 120 CO 0.33 0.11 -0.10 -0.69 0.41 0.00 0.00 173.24 173.30 1a3l s VAL 121 N 0.41 2.85 -0.04 3.43 1.01 -1.26 0.57 120.40 127.37 1a3l s VAL 121 Ca 0.17 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1a3l s VAL 121 Cb -0.13 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1a3l s VAL 121 CO 0.04 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.06 1a3l s TYR 122 N 1.39 2.52 0.36 5.22 2.02 0.14 -4.95 117.35 124.05 1a3l s TYR 122 Ca 0.05 -0.31 -0.26 0.00 -0.37 0.00 0.00 57.07 56.17 1a3l s TYR 122 Cb -0.14 -1.57 -0.09 0.00 -0.40 0.00 0.00 41.96 39.76 1a3l s TYR 122 CO -0.07 0.06 1.14 -1.25 -1.57 0.00 0.00 175.55 173.86 1a3l s PRO 123 N -0.65 4.26 -0.36 -1.71 0.04 -1.26 -0.71 135.00 134.60 1a3l s PRO 123 Ca 0.10 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1a3l s PRO 123 Cb -0.10 -2.82 0.10 0.00 0.04 0.00 0.00 34.50 31.72 1a3l s PRO 123 CO -0.00 -0.13 0.10 -0.51 0.04 0.00 0.00 177.00 176.50 1a3l s LEU 124 N -2.19 4.87 0.03 -3.56 1.43 0.43 -4.83 118.68 114.86 1a3l s LEU 124 Ca 0.53 -2.03 0.08 0.00 -1.03 0.00 0.00 54.13 51.68 1a3l s LEU 124 Cb -0.30 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1a3l s LEU 124 CO 0.38 -0.43 -0.24 0.00 0.23 0.00 0.00 176.35 176.29 1a3l s ALA 125 N 1.03 2.35 0.19 4.21 0.00 -1.26 -1.48 121.76 126.79 1a3l s ALA 125 Ca 0.08 -1.21 -0.33 0.00 0.00 0.00 0.00 51.96 50.50 1a3l s ALA 125 Cb -0.21 -0.58 -0.13 0.00 0.00 0.00 0.00 23.12 22.20 1a3l s ALA 125 CO -0.06 0.54 1.57 -2.30 0.00 0.00 0.00 175.76 175.51 1a3l n PRO 126 N 1.86 2.26 0.00 0.00 -0.02 -1.26 -4.97 135.00 132.87 1a3l n PRO 126 Ca -0.17 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1a3l n PRO 126 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1a3l n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a3l n GLY 127 N 3.19 1.23 3.14 -1.23 0.00 -1.26 -4.96 105.19 105.29 1a3l n GLY 127 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1a3l n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a3l s SER 128 N -1.00 5.36 0.00 1.61 1.04 -1.26 -4.75 113.70 114.71 1a3l s SER 128 Ca 0.00 -2.13 0.00 0.00 0.48 0.00 0.00 55.95 54.30 1a3l s SER 128 Cb 0.00 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1a3l s SER 128 CO 0.00 -0.55 0.00 0.00 0.98 0.00 0.00 173.24 173.67 1a3l n ALA 129 N 4.50 0.00 0.00 5.32 0.00 -1.26 -5.04 120.51 124.03 1a3l n ALA 129 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1a3l n ALA 129 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1a3l n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3l n ALA 130 N 0.00 0.00 -2.02 0.00 0.00 -1.26 -4.67 120.51 112.57 1a3l n ALA 130 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1a3l n ALA 130 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1a3l n ALA 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1a3l s GLN 133 N 0.00 4.26 0.00 0.00 2.00 -1.26 -4.87 119.66 119.79 1a3l s GLN 133 Ca 0.00 2.25 0.00 0.00 -2.00 0.00 0.00 55.36 55.61 1a3l s GLN 133 Cb 0.00 -3.18 0.00 0.00 0.80 0.00 0.00 33.01 30.63 1a3l s GLN 133 CO 0.00 -0.52 0.00 0.25 -0.50 0.00 0.00 175.29 174.52 1a3l n THR 134 N 3.81 0.00 0.09 -0.34 -2.24 -1.26 -4.92 114.28 109.42 1a3l n THR 134 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1a3l n THR 134 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1a3l n THR 134 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1a3l n ASN 135 N 0.00 -0.24 -0.05 3.42 0.23 -1.26 -4.93 115.26 112.44 1a3l n ASN 135 Ca 0.00 0.30 -0.09 0.00 -0.53 0.00 0.00 54.58 54.26 1a3l n ASN 135 Cb 0.00 0.37 -0.03 0.00 -2.08 0.00 0.00 39.78 38.04 1a3l n ASN 135 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1a3l h SER 136 N 0.00 0.18 -2.26 0.53 0.87 -1.97 -3.35 113.55 107.55 1a3l h SER 136 Ca 0.00 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 60.01 1a3l h SER 136 Cb 0.00 -0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 61.84 1a3l h SER 136 CO 0.00 0.13 -0.64 -0.04 -0.53 0.00 0.00 176.83 175.76 1a3l s MET 137 N -6.18 2.35 -0.02 2.24 -1.94 -1.26 -1.57 119.30 112.92 1a3l s MET 137 Ca -0.13 -1.36 0.03 0.00 -1.71 0.00 0.00 55.69 52.51 1a3l s MET 137 Cb 0.09 -2.21 -0.00 0.00 2.01 0.00 0.00 34.83 34.72 1a3l s MET 137 CO 0.69 0.38 -0.09 0.54 -0.01 0.00 0.00 175.02 176.53 1a3l s VAL 138 N -2.26 0.74 -0.15 -6.03 0.11 0.23 -4.58 120.40 108.46 1a3l s VAL 138 Ca 0.31 -0.36 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 1a3l s VAL 138 Cb -0.07 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1a3l s VAL 138 CO 0.20 0.22 0.04 -0.89 -3.33 0.00 0.00 175.10 171.35 1a3l s THR 139 N 0.06 4.64 0.41 5.04 2.01 -1.26 -1.49 115.64 125.05 1a3l s THR 139 Ca -0.01 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.93 1a3l s THR 139 Cb -0.07 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1a3l s THR 139 CO 0.00 0.51 0.08 -0.76 -0.69 0.00 0.00 174.62 173.76 1a3l s LEU 140 N -0.03 2.16 0.00 4.42 1.43 0.78 -4.66 118.68 122.79 1a3l s LEU 140 Ca 0.05 -1.58 -0.22 0.00 -1.03 0.00 0.00 54.13 51.35 1a3l s LEU 140 Cb -0.12 -0.36 0.07 0.00 0.03 0.00 0.00 46.19 45.81 1a3l s LEU 140 CO 0.01 -0.81 1.02 0.61 0.23 0.00 0.00 176.35 177.41 1a3l n GLY 141 N -0.94 0.53 2.86 -3.19 0.00 -0.55 -0.63 105.19 103.27 1a3l n GLY 141 Ca -0.08 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1a3l n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3l s LEU 143 N 0.33 4.07 -0.32 0.00 2.96 0.11 -1.19 118.68 124.64 1a3l s LEU 143 Ca -0.03 0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1a3l s LEU 143 Cb -0.05 -2.16 0.04 0.00 0.50 0.00 0.00 46.19 44.52 1a3l s LEU 143 CO -0.01 -0.02 0.06 -0.69 -1.32 0.00 0.00 176.35 174.38 1a3l s VAL 144 N 1.48 3.51 0.01 1.68 1.01 0.10 0.23 120.40 128.42 1a3l s VAL 144 Ca 0.08 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 60.99 1a3l s VAL 144 Cb -0.15 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1a3l s VAL 144 CO 0.08 -0.10 -0.20 -0.75 0.00 0.00 0.00 175.10 174.13 1a3l s LYS 145 N 1.37 1.52 -0.80 2.72 2.47 0.19 -1.32 119.74 125.90 1a3l s LYS 145 Ca -0.02 -0.81 -0.04 0.00 -1.56 0.00 0.00 55.97 53.54 1a3l s LYS 145 Cb -0.19 -1.54 0.00 0.00 -1.46 0.00 0.00 37.83 34.64 1a3l s LYS 145 CO 0.01 0.41 0.69 0.41 0.16 0.00 0.00 175.35 177.03 1a3l n GLY 146 N 2.26 0.02 3.80 5.54 0.00 -0.57 -0.72 105.19 115.52 1a3l n GLY 146 Ca -0.16 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1a3l n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a3l s TYR 147 N -3.20 2.79 -0.21 1.61 1.13 -1.03 -4.58 117.35 113.85 1a3l s TYR 147 Ca 0.26 -0.36 -0.24 0.00 -1.41 0.00 0.00 57.07 55.32 1a3l s TYR 147 Cb -0.11 -1.77 0.06 0.00 -1.10 0.00 0.00 41.96 39.04 1a3l s TYR 147 CO 0.44 0.22 0.65 0.12 -2.51 0.00 0.00 175.55 174.47 1a3l s PHE 148 N -2.38 -0.69 0.76 -3.49 5.36 -0.51 -0.53 117.98 116.50 1a3l s PHE 148 Ca 0.40 1.62 -0.02 0.00 -0.96 0.00 0.00 56.93 57.97 1a3l s PHE 148 Cb -0.04 0.26 0.15 0.00 -0.34 0.00 0.00 43.02 43.05 1a3l s PHE 148 CO 0.25 -0.38 1.05 -1.25 -1.46 0.00 0.00 175.22 173.42 1a3l s PRO 149 N 0.09 1.46 0.80 10.12 0.04 -1.26 -0.84 135.00 145.41 1a3l s PRO 149 Ca -0.02 -1.12 -0.12 0.00 0.04 0.00 0.00 61.00 59.78 1a3l s PRO 149 Cb -0.04 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.31 1a3l s PRO 149 CO 0.02 -1.63 1.16 -1.21 0.04 0.00 0.00 177.00 175.39 1a3l s GLU 150 N -5.25 1.77 0.58 4.56 0.41 -1.26 -4.75 118.70 114.75 1a3l s GLU 150 Ca 0.68 1.57 0.07 0.00 -0.41 0.00 0.00 54.97 56.89 1a3l s GLU 150 Cb -0.04 -1.81 0.07 0.00 -1.78 0.00 0.00 34.13 30.57 1a3l s GLU 150 CO 0.46 -2.08 0.62 -0.35 -0.49 0.00 0.00 175.26 173.42 1a3l n PRO 151 N -3.39 0.63 -4.38 0.39 -0.04 -1.26 -4.98 135.00 121.98 1a3l n PRO 151 Ca 0.12 -3.34 -0.25 0.00 -0.04 0.00 0.00 63.50 59.99 1a3l n PRO 151 Cb 0.51 0.06 -0.09 0.00 -0.04 0.00 0.00 33.50 33.94 1a3l n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a3l s VAL 152 N -2.72 2.86 -0.17 0.52 -7.23 -1.26 -4.42 120.40 107.98 1a3l s VAL 152 Ca 0.47 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1a3l s VAL 152 Cb -0.04 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.45 1a3l s VAL 152 CO 0.30 -0.27 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.74 1a3l s THR 153 N -2.12 2.27 -0.11 5.32 2.01 0.90 -4.97 115.64 118.95 1a3l s THR 153 Ca 0.27 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1a3l s THR 153 Cb -0.07 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1a3l s THR 153 CO 0.15 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.91 1a3l s VAL 154 N 1.16 4.20 0.17 3.82 1.01 -1.26 -1.34 120.40 128.16 1a3l s VAL 154 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1a3l s VAL 154 Cb -0.14 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1a3l s VAL 154 CO -0.08 0.57 0.05 0.42 0.00 0.00 0.00 175.10 176.06 1a3l s THR 156 N -0.52 0.33 -0.06 3.92 -4.23 -0.47 -4.99 115.64 109.63 1a3l s THR 156 Ca 0.09 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 1a3l s THR 156 Cb -0.12 -2.21 -0.00 0.00 1.34 0.00 0.00 72.50 71.51 1a3l s THR 156 CO 0.02 -0.34 -0.18 0.26 -0.54 0.00 0.00 174.62 173.84 1a3l s TRP 157 N -3.90 1.92 -1.46 3.99 0.52 -1.26 -0.27 118.94 118.48 1a3l s TRP 157 Ca 0.28 -0.64 -0.02 0.00 0.02 0.00 0.00 56.10 55.74 1a3l s TRP 157 Cb 0.07 -1.30 0.00 0.00 -1.15 0.00 0.00 33.47 31.09 1a3l s TRP 157 CO 0.06 -0.25 0.23 0.09 0.02 0.00 0.00 176.95 177.10 1a3l n ASN 162 N 3.33 0.04 -3.20 2.95 3.02 0.09 -0.65 115.26 120.84 1a3l n ASN 162 Ca -0.19 -1.15 -0.22 0.00 -0.03 0.00 0.00 54.58 52.98 1a3l n ASN 162 Cb 0.53 -2.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.41 1a3l n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a3l n SER 163 N -2.90 -4.25 0.00 6.41 7.64 -1.26 -1.24 113.62 118.02 1a3l n SER 163 Ca -0.31 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1a3l n SER 163 Cb 0.69 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 1a3l n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3l n GLY 164 N -1.22 0.49 0.12 0.23 0.00 0.18 -4.91 105.19 100.08 1a3l n GLY 164 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1a3l n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a3l h SER 165 N 0.00 0.00 -3.62 1.61 4.64 -1.04 -3.38 113.55 111.76 1a3l h SER 165 Ca 0.00 -0.06 -0.74 0.00 -0.47 0.00 0.00 61.79 60.51 1a3l h SER 165 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1a3l h SER 165 CO 0.00 0.03 -0.22 -0.22 -0.87 0.00 0.00 176.83 175.55 1a3l s LEU 166 N -4.91 5.98 -0.01 5.97 2.96 -0.95 -4.83 118.68 122.88 1a3l s LEU 166 Ca 0.07 -2.34 0.03 0.00 -0.22 0.00 0.00 54.13 51.67 1a3l s LEU 166 Cb 0.11 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1a3l s LEU 166 CO 0.67 -0.61 0.05 -1.54 -1.32 0.00 0.00 176.35 173.61 1a3l n SER 167 N 4.35 4.19 -4.80 3.68 3.41 -1.26 -4.09 113.62 119.10 1a3l n SER 167 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.29 1a3l n SER 167 Cb 0.42 0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1a3l n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a3l s SER 168 N -2.75 6.37 -1.76 4.04 0.01 -1.26 -3.68 113.70 114.66 1a3l s SER 168 Ca -0.01 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1a3l s SER 168 Cb 0.02 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1a3l s SER 168 CO 0.14 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1a3l n GLY 169 N -0.40 -0.15 3.75 3.44 0.00 -1.26 -4.63 105.19 105.93 1a3l n GLY 169 Ca 0.09 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1a3l n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3l s VAL 171 N -2.96 5.05 -0.22 1.61 1.01 -1.24 -1.31 120.40 122.34 1a3l s VAL 171 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1a3l s VAL 171 Cb 0.00 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1a3l s VAL 171 CO 0.00 0.54 -0.04 -1.00 0.00 0.00 0.00 175.10 174.61 1a3l s HIS 172 N -0.38 2.11 -0.31 5.22 3.76 -0.43 -4.99 115.29 120.28 1a3l s HIS 172 Ca 0.10 -1.56 -0.11 0.00 -0.15 0.00 0.00 55.06 53.34 1a3l s HIS 172 Cb -0.12 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 1a3l s HIS 172 CO 0.02 -0.74 0.20 0.99 -0.85 0.00 0.00 174.74 174.36 1a3l s THR 173 N 1.49 5.18 0.32 1.30 2.01 -1.26 -1.38 115.64 123.30 1a3l s THR 173 Ca -0.05 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 1a3l s THR 173 Cb -0.18 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1a3l s THR 173 CO -0.07 0.13 0.84 -0.36 -0.69 0.00 0.00 174.62 174.47 1a3l s PHE 174 N 1.72 3.52 0.49 4.92 0.08 -0.45 -5.01 117.98 123.25 1a3l s PHE 174 Ca 0.06 1.51 -0.23 0.00 0.12 0.00 0.00 56.93 58.40 1a3l s PHE 174 Cb -0.17 -2.74 -0.08 0.00 -0.57 0.00 0.00 43.02 39.47 1a3l s PHE 174 CO 0.10 0.14 1.16 -2.30 -0.10 0.00 0.00 175.22 174.22 1a3l n PRO 175 N 0.11 1.52 -2.50 0.24 -0.02 -1.26 -4.47 135.00 128.63 1a3l n PRO 175 Ca 0.02 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1a3l n PRO 175 Cb 0.52 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1a3l n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a3l s ALA 176 N -1.31 2.87 -0.08 3.55 0.00 -1.26 -4.80 121.76 120.73 1a3l s ALA 176 Ca 0.67 0.57 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1a3l s ALA 176 Cb -0.48 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1a3l s ALA 176 CO 0.53 -0.35 -0.17 0.14 0.00 0.00 0.00 175.76 175.91 1a3l s VAL 177 N -2.05 2.73 -0.29 0.00 -7.23 0.53 -4.90 120.40 109.18 1a3l s VAL 177 Ca 0.67 -0.82 -0.10 0.00 -1.81 0.00 0.00 61.98 59.92 1a3l s VAL 177 Cb -0.16 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 1a3l s VAL 177 CO 0.22 0.56 0.17 -0.22 -0.31 0.00 0.00 175.10 175.52 1a3l s LEU 178 N -0.20 4.01 -0.09 1.32 2.96 -1.26 -1.01 118.68 124.40 1a3l s LEU 178 Ca -0.01 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1a3l s LEU 178 Cb -0.13 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.54 1a3l s LEU 178 CO 0.03 -0.10 0.20 -1.58 -1.32 0.00 0.00 176.35 173.58 1a3l s GLN 179 N 1.70 0.14 -1.31 1.98 0.74 0.50 -4.92 119.66 118.49 1a3l s GLN 179 Ca 0.06 0.51 -0.05 0.00 0.05 0.00 0.00 55.36 55.93 1a3l s GLN 179 Cb -0.16 -0.15 -0.00 0.00 1.10 0.00 0.00 33.01 33.79 1a3l s GLN 179 CO 0.09 -0.20 0.59 0.43 -0.55 0.00 0.00 175.29 175.65 1a3l n SER 180 N 4.50 -1.78 -0.46 6.67 7.64 -1.26 -1.27 113.62 127.65 1a3l n SER 180 Ca -0.21 -0.95 -0.06 0.00 1.01 0.00 0.00 58.87 58.66 1a3l n SER 180 Cb 0.52 -3.45 -0.03 0.00 -1.01 0.00 0.00 64.21 60.24 1a3l n SER 180 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1a3l n ASP 183 N -2.94 -5.20 -4.16 6.43 -0.08 -1.26 -4.96 116.55 104.38 1a3l n ASP 183 Ca -0.26 0.15 -0.13 0.00 -1.51 0.00 0.00 54.79 53.04 1a3l n ASP 183 Cb 0.66 -3.23 -0.11 0.00 2.34 0.00 0.00 41.12 40.78 1a3l n ASP 183 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1a3l s LEU 184 N -1.38 2.41 0.02 -2.67 1.43 -0.40 -4.76 118.68 113.33 1a3l s LEU 184 Ca 0.00 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1a3l s LEU 184 Cb 0.00 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1a3l s LEU 184 CO 0.00 -0.31 0.01 -0.31 0.23 0.00 0.00 176.35 175.97 1a3l s TYR 185 N -2.60 3.08 -0.01 0.29 2.02 0.31 -0.37 117.35 120.08 1a3l s TYR 185 Ca 0.05 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1a3l s TYR 185 Cb -0.02 -1.65 -0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1a3l s TYR 185 CO -0.01 0.47 -0.06 0.99 -1.57 0.00 0.00 175.55 175.37 1a3l s THR 186 N -1.14 0.49 0.05 -0.71 2.01 -0.18 -1.52 115.64 114.64 1a3l s THR 186 Ca 0.21 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1a3l s THR 186 Cb -0.12 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1a3l s THR 186 CO 0.12 0.15 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.96 1a3l s LEU 187 N -0.02 2.43 0.13 4.42 0.20 -0.43 -0.35 118.68 125.06 1a3l s LEU 187 Ca 0.01 -0.93 0.04 0.00 0.69 0.00 0.00 54.13 53.94 1a3l s LEU 187 Cb -0.04 0.21 -0.04 0.00 -0.43 0.00 0.00 46.19 45.89 1a3l s LEU 187 CO -0.00 -0.56 -0.10 -0.44 -0.29 0.00 0.00 176.35 174.96 1a3l s SER 188 N -2.73 1.64 -0.03 3.68 0.01 -1.26 0.01 113.70 115.02 1a3l s SER 188 Ca 0.04 -0.95 0.01 0.00 1.31 0.00 0.00 55.95 56.36 1a3l s SER 188 Cb 0.06 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1a3l s SER 188 CO -0.09 -0.32 -0.02 -0.55 0.41 0.00 0.00 173.24 172.67 1a3l s SER 189 N -2.93 0.60 0.09 2.44 0.15 -0.33 -1.34 113.70 112.38 1a3l s SER 189 Ca 0.13 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.76 1a3l s SER 189 Cb 0.01 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1a3l s SER 189 CO -0.00 -0.05 -0.04 -0.94 1.20 0.00 0.00 173.24 173.40 1a3l s SER 190 N 0.76 4.75 -0.01 5.45 1.04 -0.48 -0.95 113.70 124.26 1a3l s SER 190 Ca -0.09 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1a3l s SER 190 Cb -0.12 -1.05 0.01 0.00 0.10 0.00 0.00 66.02 64.97 1a3l s SER 190 CO -0.01 0.18 0.00 0.54 0.98 0.00 0.00 173.24 174.94 1a3l s VAL 191 N -1.25 0.08 -0.15 5.02 0.11 0.20 -1.31 120.40 123.10 1a3l s VAL 191 Ca 0.23 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 1a3l s VAL 191 Cb -0.11 -0.13 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 1a3l s VAL 191 CO 0.16 0.07 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.92 1a3l s THR 192 N 0.48 2.38 0.26 5.04 2.01 -0.42 -0.15 115.64 125.23 1a3l s THR 192 Ca -0.04 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.17 1a3l s THR 192 Cb -0.07 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1a3l s THR 192 CO -0.01 0.53 -0.11 0.68 -0.69 0.00 0.00 174.62 175.02 1a3l s VAL 193 N 0.81 1.87 0.32 3.82 -7.23 -0.56 -4.57 120.40 114.86 1a3l s VAL 193 Ca -0.06 -2.21 -0.29 0.00 -1.81 0.00 0.00 61.98 57.61 1a3l s VAL 193 Cb -0.15 -2.31 -0.11 0.00 0.56 0.00 0.00 36.38 34.37 1a3l s VAL 193 CO -0.01 -0.40 1.43 -2.84 -0.31 0.00 0.00 175.10 172.97 1a3l s PRO 194 N -3.65 4.23 0.27 4.82 0.02 -1.26 0.75 135.00 140.19 1a3l s PRO 194 Ca 0.28 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.68 1a3l s PRO 194 Cb 0.01 -3.05 0.55 0.00 0.02 0.00 0.00 34.50 32.03 1a3l s PRO 194 CO 0.11 -0.40 1.80 0.77 -0.33 0.00 0.00 177.00 178.95 1a3l h SER 195 N 3.91 0.77 0.35 2.53 0.02 -1.42 -0.91 113.55 118.80 1a3l h SER 195 Ca -0.48 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1a3l h SER 195 Cb 1.23 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1a3l h SER 195 CO 0.70 0.37 0.00 -1.54 -1.14 0.00 0.00 176.83 175.22 1a3l n SER 196 N -4.73 0.00 -0.00 3.07 3.41 -1.26 -2.86 113.62 111.25 1a3l n SER 196 Ca 0.18 0.48 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 1a3l n SER 196 Cb 0.40 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 1a3l n SER 196 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1a3l n THR 198 N -1.49 0.01 -4.68 6.66 -2.24 -0.35 -4.74 114.28 107.46 1a3l n THR 198 Ca 0.03 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 1a3l n THR 198 Cb 0.12 0.83 -0.16 0.00 -2.10 0.00 0.00 70.33 69.02 1a3l n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1a3l s TRP 199 N -3.07 1.45 -2.09 4.78 -0.00 -1.13 0.19 118.94 119.06 1a3l s TRP 199 Ca 0.06 -0.41 0.14 0.00 -0.00 0.00 0.00 56.10 55.89 1a3l s TRP 199 Cb 0.16 -0.99 0.57 0.00 -0.00 0.00 0.00 33.47 33.20 1a3l s TRP 199 CO 0.87 -0.15 1.40 -0.35 -0.00 0.00 0.00 176.95 178.72 1a3l n PRO 200 N 3.22 1.48 -0.18 5.86 -0.04 -1.26 -4.92 135.00 139.16 1a3l n PRO 200 Ca -0.18 -0.74 -0.09 0.00 -0.04 0.00 0.00 63.50 62.45 1a3l n PRO 200 Cb 0.53 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1a3l n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1a3l h SER 202 N 1.35 -1.50 -3.45 3.54 4.64 -1.83 -3.35 113.55 112.96 1a3l h SER 202 Ca 0.00 0.24 -0.72 0.00 -0.47 0.00 0.00 61.79 60.84 1a3l h SER 202 Cb 0.30 0.67 -0.25 0.00 -0.31 0.00 0.00 62.40 62.81 1a3l h SER 202 CO 0.00 -0.35 -0.44 -0.70 -0.87 0.00 0.00 176.83 174.47 1a3l s GLU 203 N -5.83 2.77 0.66 4.77 2.12 0.51 -5.04 118.70 118.66 1a3l s GLU 203 Ca -0.14 -1.32 -0.17 0.00 0.36 0.00 0.00 54.97 53.69 1a3l s GLU 203 Cb 0.13 -3.87 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 1a3l s GLU 203 CO 0.66 -0.90 1.01 0.25 -0.54 0.00 0.00 175.26 175.73 1a3l n THR 204 N 5.02 3.53 -3.83 -1.70 -2.24 -1.26 -4.61 114.28 109.20 1a3l n THR 204 Ca -0.11 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 60.96 1a3l n THR 204 Cb 0.44 -1.17 -0.17 0.00 -2.10 0.00 0.00 70.33 67.33 1a3l n THR 204 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1a3l s VAL 205 N -1.63 0.80 -0.07 2.28 1.01 -1.26 -4.97 120.40 116.56 1a3l s VAL 205 Ca 0.76 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1a3l s VAL 205 Cb -0.38 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1a3l s VAL 205 CO 0.47 0.12 -0.14 -0.89 0.00 0.00 0.00 175.10 174.66 1a3l s THR 206 N 1.77 1.27 0.00 3.92 2.01 -1.26 -1.32 115.64 122.04 1a3l s THR 206 Ca 0.02 -0.57 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 1a3l s THR 206 Cb -0.15 -1.14 -0.06 0.00 0.01 0.00 0.00 72.50 71.17 1a3l s THR 206 CO -0.07 0.38 0.38 0.00 -0.69 0.00 0.00 174.62 174.62 1a3l s ASN 209 N -1.21 3.26 -0.23 0.00 -0.87 0.62 -1.37 114.94 115.15 1a3l s ASN 209 Ca 0.25 -0.60 0.02 0.00 -1.57 0.00 0.00 52.86 50.96 1a3l s ASN 209 Cb -0.16 -1.49 0.04 0.00 -0.02 0.00 0.00 41.25 39.62 1a3l s ASN 209 CO 0.13 0.03 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.87 1a3l s VAL 210 N 1.10 2.06 -0.17 1.60 1.01 -0.36 -1.37 120.40 124.27 1a3l s VAL 210 Ca 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.55 1a3l s VAL 210 Cb -0.14 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1a3l s VAL 210 CO -0.07 0.18 0.18 0.00 0.00 0.00 0.00 175.10 175.39 1a3l s ALA 211 N 1.20 3.70 -0.45 5.51 0.00 -0.45 -1.22 121.76 130.07 1a3l s ALA 211 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1a3l s ALA 211 Cb -0.17 -2.19 0.13 0.00 0.00 0.00 0.00 23.12 20.89 1a3l s ALA 211 CO -0.08 0.23 0.24 -1.58 0.00 0.00 0.00 175.76 174.57 1a3l s HIS 212 N 0.10 2.12 0.23 0.00 2.46 -0.09 -0.07 115.29 120.04 1a3l s HIS 212 Ca 0.12 -2.50 -0.07 0.00 0.47 0.00 0.00 55.06 53.08 1a3l s HIS 212 Cb -0.12 -2.00 0.38 0.00 -0.13 0.00 0.00 32.58 30.71 1a3l s HIS 212 CO 0.01 -0.78 1.73 -1.35 -2.47 0.00 0.00 174.74 171.88 1a3l h PRO 213 N 6.73 0.39 -0.87 2.88 0.11 -1.80 -2.41 132.00 137.04 1a3l h PRO 213 Ca -0.02 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.16 1a3l h PRO 213 Cb 0.93 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.89 1a3l h PRO 213 CO 0.50 0.26 0.56 0.00 -0.21 0.00 0.00 178.00 179.12 1a3l h ALA 214 N 1.50 1.65 -0.69 -0.75 0.00 -1.90 -1.11 119.26 117.97 1a3l h ALA 214 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1a3l h ALA 214 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a3l h ALA 214 CO -0.37 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 177.92 1a3l n SER 215 N -4.52 4.42 -4.04 0.00 3.41 -1.01 -4.95 113.62 106.93 1a3l n SER 215 Ca 0.15 -2.27 -0.30 0.00 -0.26 0.00 0.00 58.87 56.19 1a3l n SER 215 Cb 0.30 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 1a3l n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a3l n SER 216 N 1.34 -2.32 -4.09 4.04 7.64 -0.42 -4.94 113.62 114.87 1a3l n SER 216 Ca 0.25 -0.96 -0.20 0.00 1.01 0.00 0.00 58.87 58.98 1a3l n SER 216 Cb 0.78 -3.14 -0.14 0.00 -1.01 0.00 0.00 64.21 60.70 1a3l n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1a3l s THR 217 N -3.57 0.96 -0.02 0.44 2.01 -1.02 -5.05 115.64 109.40 1a3l s THR 217 Ca 0.41 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1a3l s THR 217 Cb -0.22 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1a3l s THR 217 CO 0.89 0.14 -0.07 -0.75 -0.69 0.00 0.00 174.62 174.14 1a3l s LYS 218 N -0.63 0.77 0.00 4.92 2.20 -1.26 -0.91 119.74 124.83 1a3l s LYS 218 Ca 0.03 -0.23 0.04 0.00 -0.36 0.00 0.00 55.97 55.44 1a3l s LYS 218 Cb -0.06 -0.74 -0.01 0.00 -1.51 0.00 0.00 37.83 35.51 1a3l s LYS 218 CO 0.00 0.08 -0.11 0.54 -0.36 0.00 0.00 175.35 175.50 1a3l s VAL 219 N 0.24 0.88 -0.07 4.02 0.11 -0.35 -4.98 120.40 120.25 1a3l s VAL 219 Ca -0.03 -0.57 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 1a3l s VAL 219 Cb -0.08 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1a3l s VAL 219 CO 0.00 0.18 -0.18 -1.81 -3.33 0.00 0.00 175.10 169.96 1a3l s ASP 220 N -0.44 3.65 -0.14 3.54 1.11 -1.26 -1.22 116.67 121.91 1a3l s ASP 220 Ca 0.03 -0.34 0.00 0.00 0.18 0.00 0.00 52.55 52.42 1a3l s ASP 220 Cb -0.05 -0.97 0.02 0.00 1.07 0.00 0.00 42.92 42.99 1a3l s ASP 220 CO -0.00 0.27 -0.13 -0.75 1.18 0.00 0.00 175.17 175.75 1a3l s LYS 221 N -0.31 2.12 -0.01 8.23 2.47 -0.47 -4.98 119.74 126.79 1a3l s LYS 221 Ca 0.02 -0.50 -0.27 0.00 -1.56 0.00 0.00 55.97 53.66 1a3l s LYS 221 Cb -0.13 -2.01 -0.04 0.00 -1.46 0.00 0.00 37.83 34.20 1a3l s LYS 221 CO 0.03 -0.25 0.84 0.21 0.16 0.00 0.00 175.35 176.34 1a3l s LYS 222 N 1.53 4.52 -0.27 4.03 2.20 -1.26 -0.53 119.74 129.96 1a3l s LYS 222 Ca 0.05 1.17 -0.22 0.00 -0.36 0.00 0.00 55.97 56.60 1a3l s LYS 222 Cb -0.13 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1a3l s LYS 222 CO -0.10 0.06 0.73 0.42 -0.36 0.00 0.00 175.35 176.11 1a3l s ILE 223 N 0.70 4.89 0.12 5.43 -1.09 -0.43 -4.98 121.20 125.82 1a3l s ILE 223 Ca 0.44 1.27 0.10 0.00 -2.23 0.00 0.00 60.65 60.24 1a3l s ILE 223 Cb -0.20 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1a3l s ILE 223 CO 0.24 -0.08 -0.25 0.68 -1.23 0.00 0.00 174.94 174.29 1a3l s VAL 226 N 2.73 2.37 -2.00 2.92 -7.23 -1.26 -4.67 120.40 113.26 1a3l s VAL 226 Ca 0.30 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1a3l s VAL 226 Cb -0.15 -2.04 0.09 0.00 0.56 0.00 0.00 36.38 34.84 1a3l s VAL 226 CO 0.09 0.13 0.67 -2.65 -0.31 0.00 0.00 175.10 173.03