#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4j n VAL 2 N 0.00 0.00 -0.92 5.09 0.31 -1.26 -4.75 118.33 116.79 1a4j n VAL 2 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1a4j n VAL 2 Cb 0.00 -0.60 -0.03 0.00 -0.91 0.00 0.00 33.84 32.30 1a4j n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a4j n GLN 3 N 0.17 0.00 -3.66 5.55 6.02 -1.26 -4.75 117.38 119.44 1a4j n GLN 3 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.70 1a4j n GLN 3 Cb 0.27 -0.77 -0.16 0.00 1.02 0.00 0.00 30.24 30.60 1a4j n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1a4j s LEU 4 N 1.14 0.86 -0.30 1.08 1.43 -1.26 -3.19 118.68 118.43 1a4j s LEU 4 Ca 0.48 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1a4j s LEU 4 Cb -0.69 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.10 1a4j s LEU 4 CO 0.36 -0.35 0.08 -0.22 0.23 0.00 0.00 176.35 176.45 1a4j s LEU 5 N 1.98 3.93 0.45 1.79 2.96 -0.24 -3.90 118.68 125.65 1a4j s LEU 5 Ca 0.02 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.07 1a4j s LEU 5 Cb -0.17 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1a4j s LEU 5 CO -0.13 -0.22 0.70 -1.61 -1.32 0.00 0.00 176.35 173.76 1a4j s GLU 6 N 1.46 3.29 0.81 1.98 2.02 -1.26 -1.12 118.70 125.88 1a4j s GLU 6 Ca 0.01 -0.19 -0.12 0.00 0.02 0.00 0.00 54.97 54.69 1a4j s GLU 6 Cb -0.18 -2.50 0.08 0.00 0.10 0.00 0.00 34.13 31.63 1a4j s GLU 6 CO 0.02 -0.20 1.11 -1.54 0.02 0.00 0.00 175.26 174.67 1a4j s SER 7 N -4.15 4.41 1.30 -0.19 1.04 -0.94 -4.98 113.70 110.20 1a4j s SER 7 Ca 0.47 1.16 -0.19 0.00 0.48 0.00 0.00 55.95 57.87 1a4j s SER 7 Cb -0.10 -1.85 0.33 0.00 0.10 0.00 0.00 66.02 64.49 1a4j s SER 7 CO 0.40 -2.00 0.98 -0.83 0.98 0.00 0.00 173.24 172.77 1a4j s GLY 8 N -4.05 1.48 0.56 7.32 0.00 -1.26 -4.70 107.32 106.66 1a4j s GLY 8 Ca 0.61 -0.60 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 1a4j s GLY 8 CO 0.53 0.29 1.18 2.56 0.00 0.00 0.00 173.10 177.66 1a4j s PRO 9 N -4.90 3.22 -0.06 2.90 0.04 -1.26 -4.67 135.00 130.27 1a4j s PRO 9 Ca 0.69 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.53 1a4j s PRO 9 Cb -0.17 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1a4j s PRO 9 CO 0.60 -0.99 -0.21 -1.21 0.04 0.00 0.00 177.00 175.23 1a4j s GLU 10 N -3.23 2.31 -0.25 4.56 0.41 0.60 -4.99 118.70 118.11 1a4j s GLU 10 Ca 0.74 -0.75 -0.02 0.00 -0.41 0.00 0.00 54.97 54.53 1a4j s GLU 10 Cb -0.28 -1.91 0.03 0.00 -1.78 0.00 0.00 34.13 30.19 1a4j s GLU 10 CO 0.31 0.26 -0.06 -1.17 -0.49 0.00 0.00 175.26 174.11 1a4j s LEU 11 N 0.09 3.22 0.27 1.80 0.20 -1.26 -0.12 118.68 122.88 1a4j s LEU 11 Ca -0.08 -0.89 0.06 0.00 0.69 0.00 0.00 54.13 53.91 1a4j s LEU 11 Cb -0.14 -1.67 -0.06 0.00 -0.43 0.00 0.00 46.19 43.90 1a4j s LEU 11 CO 0.04 -0.13 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.39 1a4j s LYS 12 N 1.32 1.51 0.09 1.98 -0.14 0.91 -4.97 119.74 120.43 1a4j s LYS 12 Ca -0.00 -1.77 0.06 0.00 -1.36 0.00 0.00 55.97 52.90 1a4j s LYS 12 Cb -0.17 -1.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.91 1a4j s LYS 12 CO -0.04 -0.00 -0.06 0.15 -0.76 0.00 0.00 175.35 174.64 1a4j s LYS 13 N -3.76 2.33 0.27 1.68 1.02 -1.25 0.58 119.74 120.62 1a4j s LYS 13 Ca 0.29 -0.92 -0.28 0.00 0.02 0.00 0.00 55.97 55.09 1a4j s LYS 13 Cb 0.04 -2.41 -0.15 0.00 -0.52 0.00 0.00 37.83 34.79 1a4j s LYS 13 CO 0.11 0.53 0.91 -2.30 -0.92 0.00 0.00 175.35 173.69 1a4j n PRO 14 N 0.77 1.09 0.00 -1.68 -0.02 -1.26 -2.35 135.00 131.55 1a4j n PRO 14 Ca -0.13 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1a4j n PRO 14 Cb 0.52 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1a4j n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4j n GLY 15 N 1.37 2.15 3.95 -1.23 0.00 0.16 -4.85 105.19 106.73 1a4j n GLY 15 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1a4j n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4j s GLU 16 N -0.31 0.52 0.05 1.61 2.02 -0.99 -3.65 118.70 117.95 1a4j s GLU 16 Ca 0.00 -0.64 0.09 0.00 0.02 0.00 0.00 54.97 54.44 1a4j s GLU 16 Cb 0.00 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 1a4j s GLU 16 CO 0.00 -2.44 -0.25 0.99 0.02 0.00 0.00 175.26 173.58 1a4j s THR 17 N -3.84 2.04 0.08 3.63 2.01 -1.26 -1.04 115.64 117.26 1a4j s THR 17 Ca 0.75 -1.37 0.07 0.00 0.31 0.00 0.00 61.69 61.45 1a4j s THR 17 Cb -0.02 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1a4j s THR 17 CO 0.53 0.31 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.90 1a4j s VAL 18 N -0.82 1.44 -0.19 3.82 1.01 0.25 -4.97 120.40 120.95 1a4j s VAL 18 Ca 0.11 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 60.71 1a4j s VAL 18 Cb -0.10 -1.32 0.05 0.00 0.00 0.00 0.00 36.38 35.02 1a4j s VAL 18 CO 0.02 -0.07 0.01 -0.75 0.00 0.00 0.00 175.10 174.31 1a4j s LYS 19 N -1.67 0.91 -0.05 2.72 2.20 -1.26 -1.02 119.74 121.57 1a4j s LYS 19 Ca 0.03 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1a4j s LYS 19 Cb -0.10 -2.07 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 1a4j s LYS 19 CO 0.03 -0.57 0.12 0.42 -0.36 0.00 0.00 175.35 174.99 1a4j s ILE 20 N 1.76 5.15 0.27 5.43 1.01 0.11 -4.93 121.20 130.00 1a4j s ILE 20 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 60.65 60.64 1a4j s ILE 20 Cb -0.17 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 1a4j s ILE 20 CO -0.07 0.46 -0.10 -0.94 0.00 0.00 0.00 174.94 174.29 1a4j s SER 21 N -1.46 4.06 -0.25 3.58 1.04 -1.26 -0.67 113.70 118.75 1a4j s SER 21 Ca 0.20 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 55.78 1a4j s SER 21 Cb -0.12 -0.57 0.11 0.00 0.10 0.00 0.00 66.02 65.54 1a4j s SER 21 CO 0.11 0.03 0.23 0.00 0.98 0.00 0.00 173.24 174.58 1a4j s LYS 23 N 2.30 4.23 0.28 0.00 2.20 -0.27 -0.92 119.74 127.56 1a4j s LYS 23 Ca 0.08 0.56 0.09 0.00 -0.36 0.00 0.00 55.97 56.34 1a4j s LYS 23 Cb -0.15 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1a4j s LYS 23 CO -0.24 -0.16 0.01 0.00 -0.36 0.00 0.00 175.35 174.60 1a4j s ALA 24 N 1.66 3.19 0.17 3.13 0.00 -0.43 -1.08 121.76 128.41 1a4j s ALA 24 Ca 0.28 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 1a4j s ALA 24 Cb -0.16 -0.72 -0.07 0.00 0.00 0.00 0.00 23.12 22.17 1a4j s ALA 24 CO 0.11 0.22 1.01 -1.54 0.00 0.00 0.00 175.76 175.56 1a4j s SER 25 N -3.69 7.44 0.00 0.00 1.04 -1.19 -4.75 113.70 112.54 1a4j s SER 25 Ca 0.32 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.71 1a4j s SER 25 Cb -0.05 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1a4j s SER 25 CO 0.20 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1a4j n GLY 26 N 1.96 -3.29 2.95 7.32 0.00 -1.26 -3.72 105.19 109.16 1a4j n GLY 26 Ca 0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 1a4j n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1a4j n TYR 27 N 0.00 -0.50 0.00 1.61 0.18 -1.26 -3.31 117.16 113.88 1a4j n TYR 27 Ca 0.00 0.28 0.00 0.00 1.88 0.00 0.00 57.90 60.06 1a4j n TYR 27 Cb 0.00 -0.92 0.00 0.00 -0.38 0.00 0.00 39.34 38.04 1a4j n TYR 27 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 1a4j n THR 28 N -2.18 0.00 0.06 -3.48 5.66 -1.26 -5.03 114.28 108.06 1a4j n THR 28 Ca -0.01 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.88 1a4j n THR 28 Cb 0.23 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.96 1a4j n THR 28 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1a4j h PHE 29 N 0.00 -0.42 0.00 1.09 3.57 -1.63 -1.43 116.94 118.12 1a4j h PHE 29 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1a4j h PHE 29 Cb 0.00 0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1a4j h PHE 29 CO 0.00 -0.24 0.00 0.25 -2.23 0.00 0.00 178.31 176.09 1a4j n THR 30 N -5.29 0.00 1.17 4.41 -2.24 -1.26 -3.36 114.28 107.71 1a4j n THR 30 Ca -0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1a4j n THR 30 Cb 0.21 -0.19 0.27 0.00 -2.10 0.00 0.00 70.33 68.52 1a4j n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a4j n ASN 31 N -0.66 2.43 -4.14 3.42 4.13 -0.54 -4.75 115.26 115.14 1a4j n ASN 31 Ca 0.07 -1.81 -0.11 0.00 1.68 0.00 0.00 54.58 54.42 1a4j n ASN 31 Cb 0.03 -0.01 -0.10 0.00 -1.54 0.00 0.00 39.78 38.16 1a4j n ASN 31 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1a4j s TYR 32 N -1.98 0.82 0.07 3.10 2.02 -1.21 -4.76 117.35 115.40 1a4j s TYR 32 Ca 0.32 -0.85 -0.20 0.00 -0.37 0.00 0.00 57.07 55.97 1a4j s TYR 32 Cb 0.20 -0.48 -0.07 0.00 -0.40 0.00 0.00 41.96 41.21 1a4j s TYR 32 CO 0.31 -0.16 0.57 0.20 -1.57 0.00 0.00 175.55 174.91 1a4j s GLY 33 N -2.77 2.67 -0.55 0.71 0.00 0.93 -4.48 107.32 103.82 1a4j s GLY 33 Ca 0.07 0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.66 1a4j s GLY 33 CO -0.04 0.50 0.59 -0.29 0.00 0.00 0.00 173.10 173.85 1a4j s MET 34 N -1.02 3.02 0.56 2.90 1.75 -1.11 -0.70 119.30 124.69 1a4j s MET 34 Ca 0.29 -1.45 0.02 0.00 -1.25 0.00 0.00 55.69 53.30 1a4j s MET 34 Cb -0.19 -4.25 0.04 0.00 2.84 0.00 0.00 34.83 33.26 1a4j s MET 34 CO 0.19 -1.38 0.78 -0.80 -0.65 0.00 0.00 175.02 173.15 1a4j s ASN 35 N 3.45 5.23 -0.04 1.11 0.02 0.31 -1.14 114.94 123.88 1a4j s ASN 35 Ca 0.08 -0.07 -0.02 0.00 -1.02 0.00 0.00 52.86 51.84 1a4j s ASN 35 Cb -0.26 -0.79 0.03 0.00 0.02 0.00 0.00 41.25 40.25 1a4j s ASN 35 CO 0.05 -1.18 0.08 0.26 0.02 0.00 0.00 177.10 176.34 1a4j s TRP 36 N -2.77 -0.07 0.00 2.20 0.52 0.23 -1.45 118.94 117.60 1a4j s TRP 36 Ca 0.58 0.29 0.03 0.00 0.02 0.00 0.00 56.10 57.01 1a4j s TRP 36 Cb -0.10 -0.13 -0.01 0.00 -1.15 0.00 0.00 33.47 32.08 1a4j s TRP 36 CO 0.39 -0.11 -0.09 0.14 0.02 0.00 0.00 176.95 177.29 1a4j s VAL 37 N 0.95 0.71 0.05 4.03 -7.23 -0.31 -0.33 120.40 118.26 1a4j s VAL 37 Ca -0.08 -0.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1a4j s VAL 37 Cb -0.10 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 1a4j s VAL 37 CO -0.04 0.11 0.10 -0.75 -0.31 0.00 0.00 175.10 174.21 1a4j s LYS 38 N -0.46 3.02 -0.23 4.82 2.20 -0.04 -0.52 119.74 128.53 1a4j s LYS 38 Ca 0.02 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1a4j s LYS 38 Cb -0.05 -2.81 0.08 0.00 -1.51 0.00 0.00 37.83 33.54 1a4j s LYS 38 CO -0.00 0.60 0.10 -1.14 -0.36 0.00 0.00 175.35 174.55 1a4j s GLN 39 N -2.18 0.17 0.36 4.03 0.74 -0.82 -0.98 119.66 120.98 1a4j s GLN 39 Ca 0.28 -0.32 -0.25 0.00 0.05 0.00 0.00 55.36 55.12 1a4j s GLN 39 Cb -0.12 -1.57 -0.10 0.00 1.10 0.00 0.00 33.01 32.32 1a4j s GLN 39 CO 0.20 -0.83 0.99 0.00 -0.55 0.00 0.00 175.29 175.11 1a4j s ALA 40 N 2.09 3.15 -0.42 1.58 0.00 -1.26 -1.35 121.76 125.56 1a4j s ALA 40 Ca 0.05 0.60 -0.38 0.00 0.00 0.00 0.00 51.96 52.24 1a4j s ALA 40 Cb -0.16 -3.22 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 1a4j s ALA 40 CO -0.21 -0.00 1.65 -2.30 0.00 0.00 0.00 175.76 174.89 1a4j n PRO 41 N 0.23 0.00 -1.42 0.00 -0.02 -1.26 0.13 135.00 132.65 1a4j n PRO 41 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 1a4j n PRO 41 Cb 0.50 -1.26 -0.06 0.00 -0.02 0.00 0.00 33.50 32.66 1a4j n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4j n GLY 42 N 5.33 1.45 3.94 -1.23 0.00 -1.26 -4.99 105.19 108.43 1a4j n GLY 42 Ca 0.40 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1a4j n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4j s LYS 43 N -3.16 2.27 0.00 1.61 -0.14 0.34 -5.13 119.74 115.53 1a4j s LYS 43 Ca 0.00 -1.92 0.00 0.00 -1.36 0.00 0.00 55.97 52.69 1a4j s LYS 43 Cb 0.00 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 1a4j s LYS 43 CO 0.00 -0.69 0.00 0.41 -0.76 0.00 0.00 175.35 174.31 1a4j n GLY 44 N -1.90 -1.99 3.35 -3.33 0.00 -1.26 -4.62 105.19 95.44 1a4j n GLY 44 Ca 0.03 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1a4j n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a4j s LEU 45 N 0.00 2.74 -0.22 0.99 1.43 -1.26 -4.23 118.68 118.14 1a4j s LEU 45 Ca 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1a4j s LEU 45 Cb 0.00 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1a4j s LEU 45 CO 0.00 0.11 -0.13 -0.54 0.23 0.00 0.00 176.35 176.02 1a4j s LYS 46 N 0.67 2.88 0.06 1.70 3.01 -0.16 -4.97 119.74 122.94 1a4j s LYS 46 Ca -0.06 -0.92 -0.31 0.00 -1.01 0.00 0.00 55.97 53.67 1a4j s LYS 46 Cb -0.15 -2.78 -0.06 0.00 -1.01 0.00 0.00 37.83 33.82 1a4j s LYS 46 CO 0.02 -0.31 1.34 -0.46 0.51 0.00 0.00 175.35 176.45 1a4j s TRP 47 N 1.29 3.16 -0.13 3.18 -0.00 -1.26 -0.87 118.94 124.32 1a4j s TRP 47 Ca 0.02 1.00 0.17 0.00 -0.00 0.00 0.00 56.10 57.28 1a4j s TRP 47 Cb -0.15 -3.61 -0.24 0.00 -0.00 0.00 0.00 33.47 29.47 1a4j s TRP 47 CO -0.08 -2.12 0.36 -1.33 -0.00 0.00 0.00 176.95 173.78 1a4j n MET 48 N 4.43 0.66 -0.40 5.86 2.81 0.55 -4.79 117.12 126.23 1a4j n MET 48 Ca 0.11 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1a4j n MET 48 Cb 0.44 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1a4j n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a4j n GLY 49 N 1.62 0.76 3.53 3.03 0.00 -1.20 -0.87 105.19 112.06 1a4j n GLY 49 Ca -0.23 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 1a4j n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1a4j s TRP 50 N -2.13 0.17 -0.03 1.61 1.48 -0.81 -0.61 118.94 118.62 1a4j s TRP 50 Ca 0.00 -0.53 0.03 0.00 -1.06 0.00 0.00 56.10 54.54 1a4j s TRP 50 Cb 0.00 0.24 0.00 0.00 -1.16 0.00 0.00 33.47 32.55 1a4j s TRP 50 CO 0.00 -0.92 -0.10 -1.50 -4.06 0.00 0.00 176.95 170.36 1a4j s ILE 51 N -3.95 0.90 -0.09 0.66 2.07 -0.29 -0.60 121.20 119.90 1a4j s ILE 51 Ca 0.16 -0.41 -0.30 0.00 -1.41 0.00 0.00 60.65 58.69 1a4j s ILE 51 Cb -0.00 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 1a4j s ILE 51 CO 0.03 0.28 1.49 0.21 -1.91 0.00 0.00 174.94 175.04 1a4j s ASN 52 N 0.25 6.78 0.00 4.50 2.47 -0.51 -2.76 114.94 125.67 1a4j s ASN 52 Ca -0.05 2.03 0.29 0.00 0.42 0.00 0.00 52.86 55.55 1a4j s ASN 52 Cb -0.10 -2.54 1.27 0.00 -1.45 0.00 0.00 41.25 38.43 1a4j s ASN 52 CO 0.01 -0.85 1.91 0.35 -3.72 0.00 0.00 177.10 174.80 1a4j n THR 53 N 5.40 0.00 -0.03 -5.21 -2.24 -1.26 0.85 114.28 111.78 1a4j n THR 53 Ca 0.16 -0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 1a4j n THR 53 Cb 0.44 -0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 68.15 1a4j n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a4j n TYR 54 N -1.32 0.08 0.00 4.78 4.19 -1.26 -4.64 117.16 118.99 1a4j n TYR 54 Ca 0.11 0.03 0.00 0.00 3.31 0.00 0.00 57.90 61.34 1a4j n TYR 54 Cb 0.29 -0.71 0.00 0.00 0.49 0.00 0.00 39.34 39.41 1a4j n TYR 54 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1a4j n THR 55 N -2.47 0.00 -0.77 2.97 -2.24 -1.22 -5.04 114.28 105.51 1a4j n THR 55 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1a4j n THR 55 Cb 0.78 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1a4j n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a4j n GLY 56 N 1.97 0.58 3.67 3.38 0.00 0.25 -5.02 105.19 110.01 1a4j n GLY 56 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1a4j n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a4j s GLU 57 N -0.74 4.21 0.30 1.61 0.41 -1.24 -4.75 118.70 118.49 1a4j s GLU 57 Ca 0.00 0.43 -0.12 0.00 -0.41 0.00 0.00 54.97 54.87 1a4j s GLU 57 Cb 0.00 -3.55 -0.08 0.00 -1.78 0.00 0.00 34.13 28.72 1a4j s GLU 57 CO 0.00 -0.13 0.67 -1.25 -0.49 0.00 0.00 175.26 174.07 1a4j s PRO 58 N 1.55 3.89 -0.11 0.39 0.04 -1.26 -1.43 135.00 138.08 1a4j s PRO 58 Ca 0.25 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 61.77 1a4j s PRO 58 Cb -0.15 -2.50 0.03 0.00 0.04 0.00 0.00 34.50 31.91 1a4j s PRO 58 CO 0.10 0.18 -0.05 0.99 0.04 0.00 0.00 177.00 178.26 1a4j s THR 59 N -1.99 0.81 -0.08 1.26 2.01 0.24 -4.99 115.64 112.90 1a4j s THR 59 Ca 0.51 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.28 1a4j s THR 59 Cb -0.11 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1a4j s THR 59 CO 0.21 0.29 0.07 -0.31 -0.69 0.00 0.00 174.62 174.19 1a4j s TYR 60 N 1.79 3.35 0.52 4.92 2.02 -1.26 -1.93 117.35 126.75 1a4j s TYR 60 Ca 0.04 0.32 -0.20 0.00 -0.37 0.00 0.00 57.07 56.87 1a4j s TYR 60 Cb -0.13 -1.83 -0.07 0.00 -0.40 0.00 0.00 41.96 39.53 1a4j s TYR 60 CO -0.07 0.59 1.08 0.00 -1.57 0.00 0.00 175.55 175.57 1a4j s ALA 61 N -1.01 2.79 0.30 3.71 0.00 -0.05 -4.90 121.76 122.60 1a4j s ALA 61 Ca 0.16 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1a4j s ALA 61 Cb -0.12 -3.30 0.78 0.00 0.00 0.00 0.00 23.12 20.48 1a4j s ALA 61 CO 0.06 -0.53 1.65 -0.44 0.00 0.00 0.00 175.76 176.49 1a4j h ASP 62 N 1.35 0.08 0.25 0.00 3.32 -1.93 0.23 116.42 119.71 1a4j h ASP 62 Ca -0.50 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1a4j h ASP 62 Cb 1.24 0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.03 1a4j h ASP 62 CO 0.58 -0.15 0.00 0.47 -1.72 0.00 0.00 179.24 178.42 1a4j n ASP 63 N -5.20 0.00 -1.86 6.45 9.92 -1.26 -3.38 116.55 121.22 1a4j n ASP 63 Ca 0.23 -0.14 -0.04 0.00 -0.53 0.00 0.00 54.79 54.31 1a4j n ASP 63 Cb 0.74 -0.21 0.07 0.00 -0.64 0.00 0.00 41.12 41.07 1a4j n ASP 63 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1a4j n PHE 64 N -1.21 1.06 -3.46 1.24 3.01 0.79 -5.00 117.46 113.90 1a4j n PHE 64 Ca 0.10 -1.63 -0.43 0.00 1.01 0.00 0.00 57.45 56.50 1a4j n PHE 64 Cb 0.12 -0.24 -0.09 0.00 -0.01 0.00 0.00 39.48 39.26 1a4j n PHE 64 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1a4j s LYS 65 N -2.70 2.90 0.00 -1.08 1.02 -1.20 -4.29 119.74 114.39 1a4j s LYS 65 Ca 0.37 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 55.10 1a4j s LYS 65 Cb 0.37 -4.00 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1a4j s LYS 65 CO -0.06 -0.92 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 1a4j n GLY 66 N 5.13 1.88 0.85 -3.33 0.00 -1.26 -4.94 105.19 103.52 1a4j n GLY 66 Ca -0.12 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1a4j n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4j n ARG 67 N 0.00 3.00 -5.17 1.61 1.74 -1.26 -4.98 116.66 111.60 1a4j n ARG 67 Ca 0.00 -2.42 -0.32 0.00 -0.77 0.00 0.00 57.85 54.35 1a4j n ARG 67 Cb 0.00 -1.53 -0.16 0.00 -1.02 0.00 0.00 32.46 29.75 1a4j n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1a4j s PHE 68 N -1.67 2.50 -0.12 -1.55 0.40 -1.26 -1.74 117.98 114.55 1a4j s PHE 68 Ca 0.33 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1a4j s PHE 68 Cb 0.22 -1.61 0.04 0.00 0.51 0.00 0.00 43.02 42.17 1a4j s PHE 68 CO 0.15 -0.13 -0.01 0.00 0.70 0.00 0.00 175.22 175.93 1a4j s ALA 69 N -0.26 0.95 -0.16 5.36 0.00 -0.52 -4.95 121.76 122.18 1a4j s ALA 69 Ca -0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1a4j s ALA 69 Cb -0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1a4j s ALA 69 CO 0.03 -0.66 0.43 -0.06 0.00 0.00 0.00 175.76 175.50 1a4j s PHE 70 N 1.87 3.44 0.15 0.00 0.08 -1.26 -1.79 117.98 120.47 1a4j s PHE 70 Ca 0.03 0.75 -0.00 0.00 0.12 0.00 0.00 56.93 57.83 1a4j s PHE 70 Cb -0.14 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 1a4j s PHE 70 CO -0.07 0.09 0.04 -1.54 -0.10 0.00 0.00 175.22 173.64 1a4j s SER 71 N 0.80 0.59 0.03 1.36 1.04 -0.70 -4.84 113.70 111.98 1a4j s SER 71 Ca 0.22 -1.21 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1a4j s SER 71 Cb -0.15 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1a4j s SER 71 CO 0.08 -0.69 0.01 -0.76 0.98 0.00 0.00 173.24 172.87 1a4j s LEU 72 N -3.10 2.14 -0.56 2.42 1.43 -1.26 -0.60 118.68 119.15 1a4j s LEU 72 Ca 0.25 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1a4j s LEU 72 Cb 0.07 0.29 0.22 0.00 0.03 0.00 0.00 46.19 46.80 1a4j s LEU 72 CO 0.03 -0.43 0.56 1.21 0.23 0.00 0.00 176.35 177.96 1a4j n GLU 73 N 1.04 1.53 -0.09 1.70 0.00 0.27 -4.96 120.64 120.12 1a4j n GLU 73 Ca -0.20 -4.03 0.26 0.00 0.00 0.00 0.00 57.16 53.19 1a4j n GLU 73 Cb 0.57 -1.92 0.66 0.00 0.00 0.00 0.00 31.44 30.76 1a4j n GLU 73 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1a4j h THR 74 N 3.44 0.26 0.16 6.31 1.35 -1.95 0.47 112.91 122.95 1a4j h THR 74 Ca 0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.02 1a4j h THR 74 Cb 0.78 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1a4j h THR 74 CO 0.64 0.00 -0.08 -1.28 -0.25 0.00 0.00 175.52 174.55 1a4j h SER 75 N 0.00 -0.18 -0.23 5.36 0.87 -1.93 -3.11 113.55 114.33 1a4j h SER 75 Ca 0.37 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1a4j h SER 75 Cb 1.90 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1a4j h SER 75 CO -0.00 0.24 0.00 0.00 -0.53 0.00 0.00 176.83 176.54 1a4j n ALA 76 N -2.43 2.51 -2.54 6.23 0.00 -0.01 -4.88 120.51 119.40 1a4j n ALA 76 Ca -0.09 -0.44 -0.15 0.00 0.00 0.00 0.00 53.44 52.77 1a4j n ALA 76 Cb 0.25 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 1a4j n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a4j n SER 77 N 0.19 -4.24 -4.45 0.00 2.88 -0.24 -4.75 113.62 103.02 1a4j n SER 77 Ca 0.08 0.10 -0.33 0.00 -1.33 0.00 0.00 58.87 57.39 1a4j n SER 77 Cb 0.24 -3.57 -0.13 0.00 -0.75 0.00 0.00 64.21 59.99 1a4j n SER 77 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1a4j s THR 78 N -2.72 3.14 -0.01 2.46 2.01 -0.96 -1.31 115.64 118.24 1a4j s THR 78 Ca 0.05 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1a4j s THR 78 Cb -0.02 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1a4j s THR 78 CO 0.06 0.57 -0.05 0.00 -0.69 0.00 0.00 174.62 174.50 1a4j s ALA 79 N -0.33 3.06 0.10 7.40 0.00 -0.09 0.96 121.76 132.85 1a4j s ALA 79 Ca 0.03 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1a4j s ALA 79 Cb -0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1a4j s ALA 79 CO 0.02 0.61 -0.17 0.71 0.00 0.00 0.00 175.76 176.94 1a4j s TYR 80 N -0.97 1.49 -0.08 0.00 1.51 0.23 -0.12 117.35 119.41 1a4j s TYR 80 Ca 0.16 -0.47 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1a4j s TYR 80 Cb -0.11 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1a4j s TYR 80 CO 0.07 0.15 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.36 1a4j s LEU 81 N -2.05 1.60 -0.05 -1.29 0.20 0.16 -1.71 118.68 115.53 1a4j s LEU 81 Ca 0.05 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.58 1a4j s LEU 81 Cb -0.08 -0.90 -0.00 0.00 -0.43 0.00 0.00 46.19 44.77 1a4j s LEU 81 CO 0.03 0.01 -0.20 -1.58 -0.29 0.00 0.00 176.35 174.32 1a4j s GLN 82 N 0.91 2.10 -0.13 1.98 0.74 -0.74 0.08 119.66 124.60 1a4j s GLN 82 Ca -0.10 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 54.61 1a4j s GLN 82 Cb -0.15 -1.78 0.02 0.00 1.10 0.00 0.00 33.01 32.20 1a4j s GLN 82 CO 0.01 0.27 -0.11 0.42 -0.55 0.00 0.00 175.29 175.33 1a4j s ILE 83 N 0.02 1.31 0.32 -2.34 1.01 -0.19 -1.44 121.20 119.88 1a4j s ILE 83 Ca -0.05 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.20 1a4j s ILE 83 Cb -0.13 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1a4j s ILE 83 CO 0.03 0.41 0.20 0.54 0.00 0.00 0.00 174.94 176.12 1a4j s ASN 84 N 1.52 5.02 -1.35 3.58 2.20 -0.71 -0.58 114.94 124.62 1a4j s ASN 84 Ca 0.04 -0.59 -0.00 0.00 -0.94 0.00 0.00 52.86 51.37 1a4j s ASN 84 Cb -0.13 -0.92 -0.00 0.00 -2.00 0.00 0.00 41.25 38.21 1a4j s ASN 84 CO -0.09 -0.27 0.56 -3.20 -2.94 0.00 0.00 177.10 171.17 1a4j n ASN 85 N -1.23 -0.73 -4.58 3.54 5.15 -0.55 -4.84 115.26 112.03 1a4j n ASN 85 Ca -0.03 -0.91 -0.45 0.00 -0.60 0.00 0.00 54.58 52.59 1a4j n ASN 85 Cb 0.60 -3.57 -0.01 0.00 -0.53 0.00 0.00 39.78 36.26 1a4j n ASN 85 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1a4j n LEU 86 N -4.33 1.63 -4.42 1.20 7.99 -0.20 -4.38 117.00 114.49 1a4j n LEU 86 Ca -0.31 1.17 -0.22 0.00 -0.01 0.00 0.00 56.01 56.65 1a4j n LEU 86 Cb 0.68 -1.27 -0.10 0.00 -0.11 0.00 0.00 43.42 42.62 1a4j n LEU 86 CO 0.72 -1.50 -0.46 -0.54 -1.51 0.00 0.00 177.39 174.09 1a4j s LYS 87 N -1.54 1.53 0.30 3.23 1.02 -1.26 0.36 119.74 123.38 1a4j s LYS 87 Ca 0.59 -1.70 0.02 0.00 0.02 0.00 0.00 55.97 54.91 1a4j s LYS 87 Cb -0.71 -1.47 0.59 0.00 -0.52 0.00 0.00 37.83 35.72 1a4j s LYS 87 CO 0.60 0.26 1.87 -0.91 -0.92 0.00 0.00 175.35 176.24 1a4j h ASN 88 N 2.39 0.88 0.29 2.83 2.35 -1.97 -0.26 115.58 122.08 1a4j h ASN 88 Ca -0.39 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1a4j h ASN 88 Cb 1.24 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1a4j h ASN 88 CO 0.61 0.50 0.00 -0.62 -1.65 0.00 0.00 177.43 176.27 1a4j n GLU 89 N -4.56 0.08 0.08 0.81 4.71 -1.26 -1.15 120.64 119.34 1a4j n GLU 89 Ca 0.17 0.24 0.13 0.00 -0.01 0.00 0.00 57.16 57.69 1a4j n GLU 89 Cb 0.32 -1.50 0.34 0.00 -1.01 0.00 0.00 31.44 29.59 1a4j n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1a4j n ASP 90 N -1.39 0.69 -4.65 1.62 8.00 -0.11 -4.85 116.55 115.87 1a4j n ASP 90 Ca 0.04 0.38 -0.49 0.00 0.71 0.00 0.00 54.79 55.43 1a4j n ASP 90 Cb 0.11 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 40.75 1a4j n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1a4j n THR 91 N -2.11 0.49 -3.96 -3.53 -1.04 -0.30 -4.82 114.28 99.01 1a4j n THR 91 Ca 0.05 -0.15 0.02 0.00 -2.04 0.00 0.00 64.05 61.93 1a4j n THR 91 Cb 0.42 -1.85 0.01 0.00 -1.82 0.00 0.00 70.33 67.08 1a4j n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a4j n ALA 92 N 7.40 -2.01 -3.36 2.41 0.00 -0.64 -4.51 120.51 119.79 1a4j n ALA 92 Ca 0.26 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1a4j n ALA 92 Cb 0.29 0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 1a4j n ALA 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a4j s THR 93 N -2.06 3.09 -0.21 0.00 2.01 -0.45 -0.15 115.64 117.86 1a4j s THR 93 Ca 0.17 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 1a4j s THR 93 Cb -0.00 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1a4j s THR 93 CO -0.01 0.48 0.07 -0.31 -0.69 0.00 0.00 174.62 174.17 1a4j s TYR 94 N 0.91 3.17 -0.13 4.92 1.51 0.22 -1.95 117.35 126.00 1a4j s TYR 94 Ca -0.02 -0.13 -0.06 0.00 -1.01 0.00 0.00 57.07 55.84 1a4j s TYR 94 Cb -0.15 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1a4j s TYR 94 CO -0.00 -0.08 0.11 -0.06 -1.11 0.00 0.00 175.55 174.41 1a4j s PHE 95 N 0.95 3.48 -0.24 2.71 0.08 0.33 -0.97 117.98 124.32 1a4j s PHE 95 Ca 0.04 0.42 -0.09 0.00 0.12 0.00 0.00 56.93 57.42 1a4j s PHE 95 Cb -0.14 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1a4j s PHE 95 CO 0.03 0.61 0.11 0.00 -0.10 0.00 0.00 175.22 175.86 1a4j s VAL 97 N 1.33 1.41 -0.04 0.00 1.01 -0.53 -0.24 120.40 123.35 1a4j s VAL 97 Ca 0.06 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1a4j s VAL 97 Cb -0.15 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1a4j s VAL 97 CO 0.05 0.42 0.60 -1.10 0.00 0.00 0.00 175.10 175.07 1a4j s GLN 98 N 0.77 4.35 0.05 2.72 -0.21 0.31 -0.53 119.66 127.12 1a4j s GLN 98 Ca -0.12 0.72 0.08 0.00 0.02 0.00 0.00 55.36 56.06 1a4j s GLN 98 Cb -0.16 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.45 1a4j s GLN 98 CO 0.02 0.27 -0.22 0.00 -2.12 0.00 0.00 175.29 173.24 1a4j s ALA 99 N 0.15 1.89 -0.14 6.09 0.00 0.12 -1.64 121.76 128.22 1a4j s ALA 99 Ca 0.32 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1a4j s ALA 99 Cb -0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1a4j s ALA 99 CO 0.16 0.43 0.07 -2.00 0.00 0.00 0.00 175.76 174.42 1a4j s GLU 100 N -1.26 3.56 0.11 0.00 -6.30 -0.99 -0.05 118.70 113.77 1a4j s GLU 100 Ca 0.09 -0.30 -0.18 0.00 -2.50 0.00 0.00 54.97 52.07 1a4j s GLU 100 Cb -0.09 -3.09 -0.05 0.00 0.00 0.00 0.00 34.13 30.90 1a4j s GLU 100 CO 0.02 0.53 1.67 -0.09 0.02 0.00 0.00 175.26 177.41 1a4j h ARG 101 N 5.81 0.40 0.24 4.30 2.43 -1.90 0.30 114.38 125.96 1a4j h ARG 101 Ca -0.46 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1a4j h ARG 101 Cb 1.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1a4j h ARG 101 CO 0.63 0.41 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.31 1a4j h LEU 102 N 0.30 -0.28 -0.40 3.80 4.07 -1.98 -3.14 115.31 117.68 1a4j h LEU 102 Ca 0.09 -0.14 -0.13 0.00 0.08 0.00 0.00 57.88 57.78 1a4j h LEU 102 Cb 0.15 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1a4j h LEU 102 CO -0.01 -0.01 -0.64 0.03 -1.08 0.00 0.00 178.44 176.73 1a4j h ARG 103 N -0.55 0.00 -5.69 1.13 3.08 -2.02 -3.47 114.38 106.87 1a4j h ARG 103 Ca -0.03 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 1a4j h ARG 103 Cb 0.40 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.62 1a4j h ARG 103 CO 0.05 0.64 -0.75 0.54 -1.07 0.00 0.00 179.97 179.39 1a4j n ARG 104 N -3.46 -6.94 -4.45 0.04 1.74 0.11 -5.00 116.66 98.69 1a4j n ARG 104 Ca 0.00 0.84 -0.23 0.00 -0.77 0.00 0.00 57.85 57.70 1a4j n ARG 104 Cb 0.71 -5.87 -0.10 0.00 -1.02 0.00 0.00 32.46 26.19 1a4j n ARG 104 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a4j s THR 105 N -3.35 2.30 -0.98 0.55 -4.23 -1.17 -4.96 115.64 103.79 1a4j s THR 105 Ca 0.14 -2.35 -0.14 0.00 -1.18 0.00 0.00 61.69 58.15 1a4j s THR 105 Cb -0.06 -2.27 0.20 0.00 1.34 0.00 0.00 72.50 71.71 1a4j s THR 105 CO 0.73 -0.43 1.06 -0.36 -0.54 0.00 0.00 174.62 175.08 1a4j s PHE 106 N -2.62 3.63 0.00 3.99 0.08 -1.26 -2.35 117.98 119.44 1a4j s PHE 106 Ca 0.29 -1.98 -0.24 0.00 0.12 0.00 0.00 56.93 55.12 1a4j s PHE 106 Cb -0.04 -4.05 -0.14 0.00 -0.57 0.00 0.00 43.02 38.23 1a4j s PHE 106 CO 0.13 -1.20 1.02 -0.44 -0.10 0.00 0.00 175.22 174.63 1a4j h ASP 107 N 7.76 -0.70 -3.58 1.36 3.32 -1.69 -3.45 116.42 119.45 1a4j h ASP 107 Ca 0.17 0.01 -0.67 0.00 0.02 0.00 0.00 57.03 56.56 1a4j h ASP 107 Cb 0.97 0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 1a4j h ASP 107 CO 1.00 -0.31 -0.80 -0.47 -1.72 0.00 0.00 179.24 176.93 1a4j s TYR 108 N -4.40 2.69 -0.03 4.55 6.14 -1.13 -4.99 117.35 120.17 1a4j s TYR 108 Ca -0.13 -0.62 0.03 0.00 0.64 0.00 0.00 57.07 56.99 1a4j s TYR 108 Cb 0.01 -1.74 -0.03 0.00 0.42 0.00 0.00 41.96 40.62 1a4j s TYR 108 CO 0.40 -0.17 -0.11 -1.58 0.64 0.00 0.00 175.55 174.73 1a4j s TRP 109 N 0.05 2.80 1.14 4.97 0.52 -1.26 -0.53 118.94 126.63 1a4j s TRP 109 Ca -0.07 -0.09 -0.18 0.00 0.02 0.00 0.00 56.10 55.78 1a4j s TRP 109 Cb -0.15 -1.63 0.26 0.00 -1.15 0.00 0.00 33.47 30.81 1a4j s TRP 109 CO 0.05 0.28 1.16 0.20 0.02 0.00 0.00 176.95 178.65 1a4j s GLY 110 N -0.99 1.63 0.36 0.98 0.00 0.67 -4.79 107.32 105.18 1a4j s GLY 110 Ca 0.13 -0.99 0.16 0.00 0.00 0.00 0.00 44.72 44.02 1a4j s GLY 110 CO 0.03 -0.14 1.75 0.00 0.00 0.00 0.00 173.10 174.73 1a4j h ALA 111 N -2.34 1.10 0.00 3.20 0.00 -1.89 -3.45 119.26 115.88 1a4j h ALA 111 Ca -0.45 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1a4j h ALA 111 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a4j h ALA 111 CO 0.36 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1a4j n GLY 112 N 0.01 1.93 3.40 0.00 0.00 -1.26 -5.02 105.19 104.24 1a4j n GLY 112 Ca -0.01 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 1a4j n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4j s THR 113 N -0.39 3.45 -0.13 2.61 2.01 -0.14 -4.85 115.64 118.20 1a4j s THR 113 Ca 0.00 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 1a4j s THR 113 Cb 0.00 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1a4j s THR 113 CO 0.00 0.48 0.58 -0.89 -0.69 0.00 0.00 174.62 174.10 1a4j s THR 114 N 0.72 5.10 -0.14 -0.82 2.01 -1.26 0.69 115.64 121.95 1a4j s THR 114 Ca -0.03 1.15 0.02 0.00 0.31 0.00 0.00 61.69 63.14 1a4j s THR 114 Cb -0.15 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1a4j s THR 114 CO 0.02 0.25 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.29 1a4j s VAL 115 N 1.03 2.03 -0.24 3.82 1.01 0.78 -0.29 120.40 128.53 1a4j s VAL 115 Ca 0.30 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 1a4j s VAL 115 Cb -0.16 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1a4j s VAL 115 CO 0.13 0.54 -0.09 -0.89 0.00 0.00 0.00 175.10 174.79 1a4j s THR 116 N 0.89 2.60 -0.28 3.92 2.01 0.82 -1.62 115.64 123.99 1a4j s THR 116 Ca -0.05 -1.17 -0.10 0.00 0.31 0.00 0.00 61.69 60.67 1a4j s THR 116 Cb -0.15 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1a4j s THR 116 CO -0.04 0.18 0.17 -0.69 -0.69 0.00 0.00 174.62 173.56 1a4j s VAL 117 N 1.27 5.10 0.00 3.82 1.01 -1.26 -0.07 120.40 130.28 1a4j s VAL 117 Ca -0.01 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1a4j s VAL 117 Cb -0.17 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.83 1a4j s VAL 117 CO -0.06 0.23 0.65 -0.55 0.00 0.00 0.00 175.10 175.38 1a4j s SER 118 N 1.72 -0.63 0.00 3.32 0.15 0.20 -4.50 113.70 113.96 1a4j s SER 118 Ca 0.07 0.54 0.24 0.00 0.70 0.00 0.00 55.95 57.49 1a4j s SER 118 Cb -0.16 0.55 0.24 0.00 -1.71 0.00 0.00 66.02 64.94 1a4j s SER 118 CO 0.09 -0.69 1.23 -1.54 1.20 0.00 0.00 173.24 173.53 1a4j n SER 119 N 0.61 0.66 -4.75 5.45 3.41 -1.26 -3.80 113.62 113.94 1a4j n SER 119 Ca -0.19 -0.47 -0.37 0.00 -0.26 0.00 0.00 58.87 57.58 1a4j n SER 119 Cb 0.59 0.52 0.04 0.00 -0.26 0.00 0.00 64.21 65.10 1a4j n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a4j s ALA 120 N -3.02 2.58 0.12 7.33 0.00 -1.26 -5.02 121.76 122.50 1a4j s ALA 120 Ca 0.09 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1a4j s ALA 120 Cb 0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1a4j s ALA 120 CO 0.76 -1.31 0.30 -1.12 0.00 0.00 0.00 175.76 174.39 1a4j s SER 121 N -1.37 6.39 0.14 0.00 0.01 -1.26 -5.03 113.70 112.58 1a4j s SER 121 Ca 0.77 0.35 -0.35 0.00 1.31 0.00 0.00 55.95 58.03 1a4j s SER 121 Cb -0.35 -1.99 -0.15 0.00 0.21 0.00 0.00 66.02 63.74 1a4j s SER 121 CO 0.38 0.08 1.46 0.41 0.41 0.00 0.00 173.24 175.99 1a4j n THR 122 N -0.11 0.07 -3.71 1.44 -1.04 -1.26 -4.66 114.28 105.01 1a4j n THR 122 Ca -0.05 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.83 1a4j n THR 122 Cb 0.52 -1.23 -0.12 0.00 -1.82 0.00 0.00 70.33 67.68 1a4j n THR 122 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1a4j s LYS 123 N 0.64 0.31 0.55 -2.82 2.20 0.10 -4.93 119.74 115.80 1a4j s LYS 123 Ca 0.80 0.68 -0.17 0.00 -0.36 0.00 0.00 55.97 56.92 1a4j s LYS 123 Cb -0.79 -0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 35.41 1a4j s LYS 123 CO 0.42 -0.16 1.04 0.20 -0.36 0.00 0.00 175.35 176.49 1a4j s GLY 124 N 1.36 2.24 0.72 5.54 0.00 -1.26 -1.03 107.32 114.89 1a4j s GLY 124 Ca -0.09 0.44 -0.10 0.00 0.00 0.00 0.00 44.72 44.96 1a4j s GLY 124 CO -0.11 0.75 1.09 2.56 0.00 0.00 0.00 173.10 177.39 1a4j s PRO 125 N -3.81 2.55 -0.12 2.90 0.04 -1.26 -4.59 135.00 130.70 1a4j s PRO 125 Ca 0.64 0.23 -0.03 0.00 0.04 0.00 0.00 61.00 61.88 1a4j s PRO 125 Cb -0.16 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1a4j s PRO 125 CO 0.31 -1.17 0.00 -1.12 0.04 0.00 0.00 177.00 175.06 1a4j s SER 126 N -4.43 5.21 -0.22 6.66 0.01 -0.51 -4.94 113.70 115.48 1a4j s SER 126 Ca 0.59 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.90 1a4j s SER 126 Cb -0.11 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.50 1a4j s SER 126 CO 0.49 0.30 -0.07 -0.69 0.41 0.00 0.00 173.24 173.68 1a4j s VAL 127 N -0.40 3.02 -0.01 3.43 1.01 -1.26 -1.47 120.40 124.73 1a4j s VAL 127 Ca 0.08 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1a4j s VAL 127 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1a4j s VAL 127 CO 0.02 0.39 -0.20 -0.36 0.00 0.00 0.00 175.10 174.95 1a4j s PHE 128 N 1.41 2.51 0.53 5.22 0.08 -0.73 -4.97 117.98 122.04 1a4j s PHE 128 Ca 0.04 -0.30 -0.19 0.00 0.12 0.00 0.00 56.93 56.61 1a4j s PHE 128 Cb -0.15 -1.52 -0.06 0.00 -0.57 0.00 0.00 43.02 40.72 1a4j s PHE 128 CO -0.05 0.13 1.08 -1.25 -0.10 0.00 0.00 175.22 175.02 1a4j s PRO 129 N -0.93 3.50 -0.74 0.24 0.04 -1.26 -0.56 135.00 135.29 1a4j s PRO 129 Ca 0.12 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1a4j s PRO 129 Cb -0.10 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 32.57 1a4j s PRO 129 CO 0.01 -0.69 0.55 -0.51 0.04 0.00 0.00 177.00 176.40 1a4j s LEU 130 N -3.84 4.96 0.29 -3.56 1.02 0.09 -4.76 118.68 112.89 1a4j s LEU 130 Ca 0.69 -3.82 -0.30 0.00 0.02 0.00 0.00 54.13 50.72 1a4j s LEU 130 Cb -0.19 -1.69 -0.12 0.00 0.02 0.00 0.00 46.19 44.20 1a4j s LEU 130 CO 0.26 -0.10 1.45 0.00 0.02 0.00 0.00 176.35 177.98 1a4j n ALA 131 N 2.05 1.77 -1.81 4.21 0.00 -1.26 -1.14 120.51 124.32 1a4j n ALA 131 Ca 0.20 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.61 1a4j n ALA 131 Cb 0.35 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 1a4j n ALA 131 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a4j s PRO 132 N -0.94 4.32 -0.45 0.00 0.04 -1.26 -4.55 135.00 132.16 1a4j s PRO 132 Ca 0.62 2.25 -0.41 0.00 0.04 0.00 0.00 61.00 63.50 1a4j s PRO 132 Cb -0.56 -3.08 -0.18 0.00 0.04 0.00 0.00 34.50 30.72 1a4j s PRO 132 CO 0.54 -0.27 1.71 0.45 0.04 0.00 0.00 177.00 179.46 1a4j n SER 133 N 1.30 0.88 -0.06 6.66 2.88 -1.26 -4.84 113.62 119.17 1a4j n SER 133 Ca 0.02 0.84 -0.19 0.00 -1.33 0.00 0.00 58.87 58.21 1a4j n SER 133 Cb 0.41 -0.81 -0.13 0.00 -0.75 0.00 0.00 64.21 62.94 1a4j n SER 133 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1a4j h SER 134 N 6.44 0.10 0.00 -3.46 4.64 -1.96 -3.20 113.55 116.11 1a4j h SER 134 Ca -0.24 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.31 1a4j h SER 134 Cb 1.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1a4j h SER 134 CO 0.94 1.33 0.00 0.29 -0.87 0.00 0.00 176.83 178.52 1a4j n LYS 135 N -4.38 0.46 -2.78 4.77 4.01 -1.26 -2.47 118.16 116.50 1a4j n LYS 135 Ca -0.22 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.48 1a4j n LYS 135 Cb 0.66 -1.04 0.07 0.00 -0.51 0.00 0.00 35.03 34.21 1a4j n LYS 135 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1a4j n SER 136 N -0.36 -1.35 0.08 4.39 2.88 -1.24 -5.05 113.62 112.96 1a4j n SER 136 Ca 0.00 -3.13 -0.03 0.00 -1.33 0.00 0.00 58.87 54.38 1a4j n SER 136 Cb 0.02 1.03 -0.02 0.00 -0.75 0.00 0.00 64.21 64.49 1a4j n SER 136 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1a4j h THR 137 N 2.40 0.00 -2.60 2.46 2.02 -1.47 -3.39 112.91 112.33 1a4j h THR 137 Ca -0.12 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.37 1a4j h THR 137 Cb 1.15 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.38 1a4j h THR 137 CO 0.16 0.00 0.64 -0.44 0.37 0.00 0.00 175.52 176.26 1a4j s SER 138 N -2.43 6.48 -0.07 4.18 0.01 -1.26 -4.69 113.70 115.92 1a4j s SER 138 Ca -0.03 -1.76 0.19 0.00 1.31 0.00 0.00 55.95 55.65 1a4j s SER 138 Cb 0.00 -2.38 0.35 0.00 0.21 0.00 0.00 66.02 64.20 1a4j s SER 138 CO 0.10 -1.13 1.15 0.61 0.41 0.00 0.00 173.24 174.38 1a4j n GLY 139 N 5.35 1.09 1.38 3.44 0.00 -1.26 -5.09 105.19 110.10 1a4j n GLY 139 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1a4j n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4j n GLY 140 N 0.07 1.14 3.79 -0.02 0.00 -1.26 -4.91 105.19 104.00 1a4j n GLY 140 Ca -0.03 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 1a4j n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4j s THR 141 N 0.00 5.20 0.24 2.61 2.01 -1.26 0.11 115.64 124.54 1a4j s THR 141 Ca 0.00 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1a4j s THR 141 Cb 0.00 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1a4j s THR 141 CO 0.00 0.57 0.39 0.00 -0.69 0.00 0.00 174.62 174.88 1a4j s ALA 142 N -0.60 3.88 0.00 7.40 0.00 0.21 -4.69 121.76 127.96 1a4j s ALA 142 Ca 0.12 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1a4j s ALA 142 Cb -0.12 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1a4j s ALA 142 CO 0.02 0.28 0.00 0.00 0.00 0.00 0.00 175.76 176.06 1a4j n ALA 143 N -1.19 0.00 -0.29 0.00 0.00 -1.26 -2.71 120.51 115.06 1a4j n ALA 143 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1a4j n ALA 143 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1a4j n ALA 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1a4j n LEU 144 N 0.00 -2.53 0.00 0.00 0.00 -1.25 -4.02 117.00 109.21 1a4j n LEU 144 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 56.01 56.42 1a4j n LEU 144 Cb 0.00 0.25 0.01 0.00 0.00 0.00 0.00 43.42 43.68 1a4j n LEU 144 CO 0.00 -0.10 0.66 0.61 0.00 0.00 0.00 177.39 178.57 1a4j n GLY 145 N -0.29 0.37 2.86 -3.96 0.00 -0.30 -1.44 105.19 102.44 1a4j n GLY 145 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1a4j n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4j s LEU 147 N 0.63 4.70 -0.48 0.00 2.96 0.28 -1.13 118.68 125.64 1a4j s LEU 147 Ca -0.05 -0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 52.80 1a4j s LEU 147 Cb -0.07 -2.03 0.11 0.00 0.50 0.00 0.00 46.19 44.69 1a4j s LEU 147 CO -0.02 -0.37 0.38 0.54 -1.32 0.00 0.00 176.35 175.56 1a4j s VAL 148 N 1.57 4.67 0.19 1.68 0.11 0.23 -1.77 120.40 127.09 1a4j s VAL 148 Ca 0.02 -1.51 0.11 0.00 -2.93 0.00 0.00 61.98 57.67 1a4j s VAL 148 Cb -0.19 -3.96 -0.04 0.00 -1.53 0.00 0.00 36.38 30.66 1a4j s VAL 148 CO 0.07 -0.72 -0.20 -0.75 -3.33 0.00 0.00 175.10 170.17 1a4j s LYS 149 N 1.49 1.68 -0.86 1.54 2.20 -0.54 -0.55 119.74 124.69 1a4j s LYS 149 Ca 0.04 -1.47 -0.02 0.00 -0.36 0.00 0.00 55.97 54.16 1a4j s LYS 149 Cb -0.26 -1.93 -0.03 0.00 -1.51 0.00 0.00 37.83 34.10 1a4j s LYS 149 CO 0.02 0.41 0.78 -0.25 -0.36 0.00 0.00 175.35 175.95 1a4j n ASP 150 N 0.16 -7.31 -4.25 1.43 8.00 -0.14 -1.42 116.55 113.02 1a4j n ASP 150 Ca -0.12 -0.33 -0.14 0.00 0.71 0.00 0.00 54.79 54.92 1a4j n ASP 150 Cb 0.56 -5.25 -0.10 0.00 -0.02 0.00 0.00 41.12 36.31 1a4j n ASP 150 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1a4j s TYR 151 N -3.16 1.27 -0.28 1.24 -0.85 -0.72 -4.22 117.35 110.64 1a4j s TYR 151 Ca 0.18 -0.76 -0.21 0.00 -0.52 0.00 0.00 57.07 55.76 1a4j s TYR 151 Cb -0.02 -0.65 0.08 0.00 0.38 0.00 0.00 41.96 41.75 1a4j s TYR 151 CO 0.74 0.08 0.75 0.12 -1.52 0.00 0.00 175.55 175.73 1a4j s PHE 152 N -3.33 -0.85 0.00 -3.49 2.19 -0.20 -0.92 117.98 111.39 1a4j s PHE 152 Ca 0.17 1.89 0.00 0.00 0.33 0.00 0.00 56.93 59.32 1a4j s PHE 152 Cb 0.03 0.41 0.00 0.00 -1.31 0.00 0.00 43.02 42.15 1a4j s PHE 152 CO 0.01 -0.41 0.00 -0.35 1.83 0.00 0.00 175.22 176.29 1a4j n PRO 153 N 3.27 1.05 -2.01 10.12 -0.04 -1.26 0.02 135.00 146.13 1a4j n PRO 153 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 1a4j n PRO 153 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1a4j n PRO 153 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a4j s GLU 154 N -1.43 3.50 0.35 0.54 0.41 -1.26 -4.77 118.70 116.03 1a4j s GLU 154 Ca 0.00 0.97 0.04 0.00 -0.41 0.00 0.00 54.97 55.57 1a4j s GLU 154 Cb 0.00 -2.07 0.04 0.00 -1.78 0.00 0.00 34.13 30.32 1a4j s GLU 154 CO 0.00 -0.65 0.32 -0.35 -0.49 0.00 0.00 175.26 174.09 1a4j n PRO 155 N -2.29 0.92 -4.13 0.39 -0.04 -1.26 -4.96 135.00 123.63 1a4j n PRO 155 Ca 0.07 -2.12 -0.15 0.00 -0.04 0.00 0.00 63.50 61.26 1a4j n PRO 155 Cb 0.54 0.13 -0.12 0.00 -0.04 0.00 0.00 33.50 34.01 1a4j n PRO 155 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a4j s VAL 156 N -1.61 0.73 -0.02 0.52 1.01 -1.26 -4.46 120.40 115.32 1a4j s VAL 156 Ca 0.24 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1a4j s VAL 156 Cb -0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1a4j s VAL 156 CO 0.16 -0.25 -0.22 0.42 0.00 0.00 0.00 175.10 175.20 1a4j s THR 157 N -1.17 1.77 -0.06 3.92 -4.23 -0.63 -4.99 115.64 110.25 1a4j s THR 157 Ca -0.06 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1a4j s THR 157 Cb -0.09 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.30 1a4j s THR 157 CO 0.01 0.50 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.85 1a4j s VAL 158 N -0.52 0.63 0.43 2.29 1.01 -1.25 -1.28 120.40 121.71 1a4j s VAL 158 Ca 0.08 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1a4j s VAL 158 Cb -0.09 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.56 1a4j s VAL 158 CO -0.01 0.27 0.01 -0.94 0.00 0.00 0.00 175.10 174.43 1a4j s SER 159 N 1.21 3.87 -0.07 3.32 1.04 -0.18 -4.92 113.70 117.97 1a4j s SER 159 Ca -0.06 -1.44 0.03 0.00 0.48 0.00 0.00 55.95 54.96 1a4j s SER 159 Cb -0.14 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.83 1a4j s SER 159 CO -0.02 -0.56 -0.15 0.26 0.98 0.00 0.00 173.24 173.75 1a4j s TRP 160 N -2.78 1.73 -1.37 5.02 0.52 -1.26 0.48 118.94 121.28 1a4j s TRP 160 Ca 0.28 -0.64 -0.04 0.00 0.02 0.00 0.00 56.10 55.72 1a4j s TRP 160 Cb 0.08 -1.22 0.02 0.00 -1.15 0.00 0.00 33.47 31.21 1a4j s TRP 160 CO 0.14 -0.29 0.78 0.09 0.02 0.00 0.00 176.95 177.70 1a4j n ASN 161 N 3.64 -2.28 -2.12 2.95 5.03 0.61 -1.00 115.26 122.09 1a4j n ASN 161 Ca -0.21 -0.81 -0.15 0.00 0.87 0.00 0.00 54.58 54.28 1a4j n ASN 161 Cb 0.52 -4.01 -0.02 0.00 -1.02 0.00 0.00 39.78 35.24 1a4j n ASN 161 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1a4j n SER 162 N -2.99 -4.33 0.00 6.41 7.64 -1.26 -1.74 113.62 117.35 1a4j n SER 162 Ca -0.20 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1a4j n SER 162 Cb 0.63 -3.74 0.00 0.00 -1.01 0.00 0.00 64.21 60.09 1a4j n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4j n GLY 163 N -0.68 0.25 0.22 0.23 0.00 -0.17 -4.93 105.19 100.10 1a4j n GLY 163 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1a4j n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4j h ALA 164 N 0.00 0.97 -2.99 4.61 0.00 -1.24 -3.41 119.26 117.19 1a4j h ALA 164 Ca 0.00 -0.16 -0.68 0.00 0.00 0.00 0.00 54.91 54.07 1a4j h ALA 164 Cb 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 17.50 1a4j h ALA 164 CO 0.00 0.22 -0.60 -1.17 0.00 0.00 0.00 179.25 177.70 1a4j s LEU 165 N -6.52 4.05 0.00 0.00 0.20 -1.05 -4.90 118.68 110.46 1a4j s LEU 165 Ca 0.02 -0.78 0.00 0.00 0.69 0.00 0.00 54.13 54.06 1a4j s LEU 165 Cb 0.09 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 43.94 1a4j s LEU 165 CO 0.63 -0.23 0.00 0.35 -0.29 0.00 0.00 176.35 176.81 1a4j n THR 166 N 4.89 0.00 -2.33 3.68 -2.24 -1.26 -4.13 114.28 112.89 1a4j n THR 166 Ca -0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1a4j n THR 166 Cb 0.47 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1a4j n THR 166 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a4j s SER 167 N -1.65 7.05 0.00 3.42 1.04 -1.26 -2.68 113.70 119.62 1a4j s SER 167 Ca 0.00 2.34 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1a4j s SER 167 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1a4j s SER 167 CO 0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1a4j n GLY 168 N 1.80 3.08 3.73 7.32 0.00 -1.26 -4.72 105.19 115.14 1a4j n GLY 168 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1a4j n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4j s VAL 169 N -1.38 2.46 -0.19 1.61 1.01 -1.09 -3.60 120.40 119.22 1a4j s VAL 169 Ca 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1a4j s VAL 169 Cb 0.00 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1a4j s VAL 169 CO 0.00 0.04 0.07 -1.00 0.00 0.00 0.00 175.10 174.21 1a4j s HIS 170 N 0.58 0.63 -0.34 5.22 3.76 0.20 -4.98 115.29 120.34 1a4j s HIS 170 Ca 0.66 -0.62 -0.10 0.00 -0.15 0.00 0.00 55.06 54.85 1a4j s HIS 170 Cb -0.45 -0.88 0.01 0.00 1.11 0.00 0.00 32.58 32.38 1a4j s HIS 170 CO 0.38 -0.58 0.18 0.99 -0.85 0.00 0.00 174.74 174.86 1a4j s THR 171 N 1.99 4.55 0.43 1.30 2.01 -1.26 -0.53 115.64 124.13 1a4j s THR 171 Ca 0.01 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 1a4j s THR 171 Cb -0.17 -3.45 -0.11 0.00 0.01 0.00 0.00 72.50 68.79 1a4j s THR 171 CO -0.10 -0.10 0.95 -0.36 -0.69 0.00 0.00 174.62 174.32 1a4j s PHE 172 N 1.57 3.33 0.46 4.92 0.08 -0.71 -5.00 117.98 122.63 1a4j s PHE 172 Ca 0.03 1.62 -0.24 0.00 0.12 0.00 0.00 56.93 58.45 1a4j s PHE 172 Cb -0.18 -2.86 -0.08 0.00 -0.57 0.00 0.00 43.02 39.33 1a4j s PHE 172 CO 0.06 -0.10 1.34 -0.35 -0.10 0.00 0.00 175.22 176.07 1a4j n PRO 173 N -0.58 1.98 -0.97 0.24 -0.04 -1.26 -4.59 135.00 129.78 1a4j n PRO 173 Ca 0.07 0.71 -0.30 0.00 -0.04 0.00 0.00 63.50 63.93 1a4j n PRO 173 Cb 0.54 -2.51 0.15 0.00 -0.04 0.00 0.00 33.50 31.64 1a4j n PRO 173 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a4j s ALA 174 N -1.22 1.48 -0.03 0.55 0.00 -1.26 -4.88 121.76 116.40 1a4j s ALA 174 Ca 0.64 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1a4j s ALA 174 Cb -0.46 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1a4j s ALA 174 CO 0.56 -2.51 -0.11 0.08 0.00 0.00 0.00 175.76 173.78 1a4j s VAL 175 N -2.77 0.96 -0.27 0.00 1.01 -0.74 -4.96 120.40 113.63 1a4j s VAL 175 Ca 0.64 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 1a4j s VAL 175 Cb -0.20 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1a4j s VAL 175 CO 0.58 0.29 0.96 -0.22 0.00 0.00 0.00 175.10 176.71 1a4j s LEU 176 N 0.12 4.05 0.67 3.92 2.96 -1.26 -2.19 118.68 126.94 1a4j s LEU 176 Ca -0.03 1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.87 1a4j s LEU 176 Cb -0.09 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.22 1a4j s LEU 176 CO 0.01 -0.68 1.05 -1.10 -1.32 0.00 0.00 176.35 174.30 1a4j s GLN 177 N 3.20 2.99 0.60 1.98 -0.21 -0.05 -4.91 119.66 123.25 1a4j s GLN 177 Ca 0.40 0.42 0.40 0.00 0.02 0.00 0.00 55.36 56.60 1a4j s GLN 177 Cb -0.14 -2.08 2.10 0.00 1.00 0.00 0.00 33.01 33.89 1a4j s GLN 177 CO 0.10 -0.89 2.21 0.66 -2.12 0.00 0.00 175.29 175.25 1a4j h SER 178 N -0.50 0.00 1.18 5.90 4.64 -1.96 0.16 113.55 122.97 1a4j h SER 178 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1a4j h SER 178 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1a4j h SER 178 CO 0.63 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1a4j n SER 179 N -2.94 0.43 0.00 4.97 3.41 -1.26 -4.89 113.62 113.34 1a4j n SER 179 Ca -0.02 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1a4j n SER 179 Cb 0.10 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1a4j n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4j n GLY 180 N 1.22 0.69 3.68 5.00 0.00 0.56 -4.98 105.19 111.35 1a4j n GLY 180 Ca 0.06 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1a4j n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a4j s LEU 181 N 0.00 3.50 0.48 0.99 1.02 -1.26 -4.83 118.68 118.59 1a4j s LEU 181 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 54.13 54.10 1a4j s LEU 181 Cb 0.00 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 1a4j s LEU 181 CO 0.00 0.29 0.78 -0.31 0.02 0.00 0.00 176.35 177.13 1a4j s TYR 182 N -1.06 3.56 -0.08 0.29 2.02 -0.09 -0.88 117.35 121.11 1a4j s TYR 182 Ca 0.19 0.79 -0.14 0.00 -0.37 0.00 0.00 57.07 57.54 1a4j s TYR 182 Cb -0.11 -2.29 0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1a4j s TYR 182 CO 0.09 -0.27 0.34 0.45 -1.57 0.00 0.00 175.55 174.60 1a4j s SER 183 N -4.11 -0.30 0.17 2.29 0.15 -0.93 -0.96 113.70 110.02 1a4j s SER 183 Ca 0.47 0.43 -0.20 0.00 0.70 0.00 0.00 55.95 57.35 1a4j s SER 183 Cb -0.10 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.79 1a4j s SER 183 CO 0.45 -0.29 0.55 -1.48 1.20 0.00 0.00 173.24 173.67 1a4j s LEU 184 N -0.55 -0.16 0.07 3.45 0.05 0.29 -1.79 118.68 120.05 1a4j s LEU 184 Ca -0.07 -0.26 0.07 0.00 0.05 0.00 0.00 54.13 53.92 1a4j s LEU 184 Cb -0.04 2.33 -0.03 0.00 -2.05 0.00 0.00 46.19 46.40 1a4j s LEU 184 CO 0.02 -1.01 -0.18 -0.94 -0.55 0.00 0.00 176.35 173.70 1a4j s SER 185 N -2.81 2.20 -0.16 1.48 1.04 -1.26 0.78 113.70 114.97 1a4j s SER 185 Ca 0.05 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1a4j s SER 185 Cb -0.01 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1a4j s SER 185 CO -0.08 0.05 -0.17 -0.55 0.98 0.00 0.00 173.24 173.47 1a4j s SER 186 N -1.61 2.84 0.41 7.02 0.15 -0.28 -1.74 113.70 120.49 1a4j s SER 186 Ca 0.04 -0.54 0.07 0.00 0.70 0.00 0.00 55.95 56.22 1a4j s SER 186 Cb -0.09 -1.29 -0.06 0.00 -1.71 0.00 0.00 66.02 62.87 1a4j s SER 186 CO 0.03 -0.03 0.14 0.68 1.20 0.00 0.00 173.24 175.26 1a4j s VAL 187 N 1.36 2.27 -0.19 4.45 -7.23 0.31 -1.18 120.40 120.19 1a4j s VAL 187 Ca 0.04 -1.76 -0.13 0.00 -1.81 0.00 0.00 61.98 58.31 1a4j s VAL 187 Cb -0.13 -2.99 0.06 0.00 0.56 0.00 0.00 36.38 33.87 1a4j s VAL 187 CO -0.11 -0.01 0.48 -0.69 -0.31 0.00 0.00 175.10 174.46 1a4j s VAL 188 N -2.62 -0.01 -0.30 1.32 1.01 -0.52 -0.63 120.40 118.65 1a4j s VAL 188 Ca 0.40 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 1a4j s VAL 188 Cb 0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1a4j s VAL 188 CO 0.22 0.02 0.29 0.42 0.00 0.00 0.00 175.10 176.05 1a4j s THR 189 N 0.97 5.23 0.44 3.92 -4.23 -1.24 -4.11 115.64 116.63 1a4j s THR 189 Ca -0.06 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1a4j s THR 189 Cb -0.06 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1a4j s THR 189 CO -0.08 0.11 0.03 0.68 -0.54 0.00 0.00 174.62 174.81 1a4j s VAL 190 N 1.92 1.37 0.01 2.29 -7.23 -1.10 -4.75 120.40 112.90 1a4j s VAL 190 Ca 0.11 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.02 1a4j s VAL 190 Cb -0.16 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1a4j s VAL 190 CO 0.11 0.00 0.81 -2.16 -0.31 0.00 0.00 175.10 173.54 1a4j s PRO 191 N -3.80 4.51 0.46 4.82 0.04 -1.26 0.67 135.00 140.44 1a4j s PRO 191 Ca 0.22 1.12 0.24 0.00 0.04 0.00 0.00 61.00 62.61 1a4j s PRO 191 Cb 0.05 -3.41 1.26 0.00 0.04 0.00 0.00 34.50 32.45 1a4j s PRO 191 CO 0.11 0.15 1.83 0.77 0.04 0.00 0.00 177.00 179.90 1a4j h SER 192 N 6.20 0.25 0.10 6.66 0.02 0.54 0.37 113.55 127.69 1a4j h SER 192 Ca -0.42 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1a4j h SER 192 Cb 1.21 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1a4j h SER 192 CO 0.73 0.07 -0.16 0.77 -1.14 0.00 0.00 176.83 177.10 1a4j h SER 193 N 0.24 0.13 1.08 3.07 4.64 -1.86 -2.03 113.55 118.82 1a4j h SER 193 Ca 0.51 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1a4j h SER 193 Cb 1.57 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1a4j h SER 193 CO -0.14 0.31 0.00 0.77 -0.87 0.00 0.00 176.83 176.90 1a4j h SER 194 N 0.13 0.00 -2.62 4.97 4.64 -0.63 -3.42 113.55 116.63 1a4j h SER 194 Ca 0.03 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.81 1a4j h SER 194 Cb 0.37 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1a4j h SER 194 CO 0.02 0.00 1.05 -0.76 -0.87 0.00 0.00 176.83 176.28 1a4j s LEU 195 N -5.59 4.37 0.00 5.97 1.43 -0.76 0.48 118.68 124.58 1a4j s LEU 195 Ca 0.03 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1a4j s LEU 195 Cb 0.09 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1a4j s LEU 195 CO 0.52 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1a4j n GLY 196 N 4.11 2.51 0.25 -3.19 0.00 -1.26 -4.79 105.19 102.82 1a4j n GLY 196 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1a4j n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a4j n THR 197 N -0.06 1.32 -3.14 2.61 -2.24 -0.66 -4.91 114.28 107.21 1a4j n THR 197 Ca 0.00 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 1a4j n THR 197 Cb 0.00 -1.79 -0.07 0.00 -2.10 0.00 0.00 70.33 66.37 1a4j n THR 197 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a4j s GLN 198 N -2.44 3.91 0.21 -0.78 2.00 0.18 -5.05 119.66 117.69 1a4j s GLN 198 Ca -0.33 0.28 -0.25 0.00 -2.00 0.00 0.00 55.36 53.05 1a4j s GLN 198 Cb 0.13 -3.72 -0.08 0.00 0.80 0.00 0.00 33.01 30.13 1a4j s GLN 198 CO 0.43 -0.55 0.81 -0.08 -0.50 0.00 0.00 175.29 175.41 1a4j s THR 199 N 2.56 4.35 -0.13 -0.34 -1.32 -1.26 -4.69 115.64 114.80 1a4j s THR 199 Ca 0.24 1.69 0.01 0.00 -1.21 0.00 0.00 61.69 62.42 1a4j s THR 199 Cb -0.15 -4.09 0.02 0.00 -1.51 0.00 0.00 72.50 66.77 1a4j s THR 199 CO 0.11 0.40 -0.16 -0.31 -2.21 0.00 0.00 174.62 172.45 1a4j s TYR 200 N -1.30 2.23 -0.07 9.09 2.02 -1.26 -4.96 117.35 123.09 1a4j s TYR 200 Ca 0.40 -1.17 0.03 0.00 -0.37 0.00 0.00 57.07 55.96 1a4j s TYR 200 Cb -0.21 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1a4j s TYR 200 CO 0.26 -0.60 -0.14 0.42 -1.57 0.00 0.00 175.55 173.91 1a4j s ILE 201 N 1.18 1.28 -0.12 2.71 1.01 -1.26 -0.26 121.20 125.74 1a4j s ILE 201 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1a4j s ILE 201 Cb -0.14 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1a4j s ILE 201 CO -0.06 0.39 0.23 0.00 0.00 0.00 0.00 174.94 175.50 1a4j s ASN 203 N -0.38 5.71 -0.15 0.00 0.01 0.18 -2.08 114.94 118.23 1a4j s ASN 203 Ca 0.16 -0.95 -0.02 0.00 -0.71 0.00 0.00 52.86 51.34 1a4j s ASN 203 Cb -0.13 -2.02 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 1a4j s ASN 203 CO 0.05 -0.36 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.50 1a4j s VAL 204 N 1.56 3.42 -0.05 1.60 1.01 -0.21 -1.01 120.40 126.72 1a4j s VAL 204 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1a4j s VAL 204 Cb -0.19 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1a4j s VAL 204 CO 0.07 0.50 -0.08 0.21 0.00 0.00 0.00 175.10 175.79 1a4j s ASN 205 N 0.49 1.32 -0.31 3.32 2.47 -0.40 -0.84 114.94 120.98 1a4j s ASN 205 Ca -0.06 -0.21 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1a4j s ASN 205 Cb -0.15 -0.59 0.09 0.00 -1.45 0.00 0.00 41.25 39.15 1a4j s ASN 205 CO 0.04 0.00 0.02 -2.28 -3.72 0.00 0.00 177.10 171.15 1a4j s HIS 206 N 0.69 3.17 0.12 0.43 5.65 0.78 -1.61 115.29 124.51 1a4j s HIS 206 Ca -0.12 -2.52 -0.15 0.00 0.25 0.00 0.00 55.06 52.52 1a4j s HIS 206 Cb -0.14 -2.38 -0.03 0.00 -1.18 0.00 0.00 32.58 28.84 1a4j s HIS 206 CO 0.02 -0.90 1.56 -0.22 -0.65 0.00 0.00 174.74 174.54 1a4j h LYS 207 N 7.76 0.67 -1.11 2.88 3.64 -1.79 0.53 116.57 129.15 1a4j h LYS 207 Ca -0.10 -0.22 0.31 0.00 -1.27 0.00 0.00 60.65 59.37 1a4j h LYS 207 Cb 1.03 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.72 1a4j h LYS 207 CO 0.49 0.78 0.75 -1.35 -2.27 0.00 0.00 179.45 177.85 1a4j h PRO 208 N 0.49 0.19 -0.08 1.90 0.11 -1.91 0.26 132.00 132.96 1a4j h PRO 208 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1a4j h PRO 208 Cb 0.48 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1a4j h PRO 208 CO 0.02 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 176.81 1a4j n SER 209 N -4.43 2.45 -3.77 -2.05 3.41 -1.17 -4.95 113.62 103.11 1a4j n SER 209 Ca 0.26 -1.71 -0.28 0.00 -0.26 0.00 0.00 58.87 56.88 1a4j n SER 209 Cb 1.06 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 65.01 1a4j n SER 209 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a4j n ASN 210 N 0.90 -5.40 -4.80 4.04 4.05 0.91 -4.92 115.26 110.05 1a4j n ASN 210 Ca 0.10 -0.68 -0.36 0.00 0.45 0.00 0.00 54.58 54.10 1a4j n ASN 210 Cb 0.41 -4.28 -0.07 0.00 1.23 0.00 0.00 39.78 37.07 1a4j n ASN 210 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1a4j s THR 211 N -3.29 5.37 -0.06 -0.44 2.01 0.08 -4.98 115.64 114.32 1a4j s THR 211 Ca 0.63 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.77 1a4j s THR 211 Cb -0.30 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 68.87 1a4j s THR 211 CO 0.78 0.55 0.12 -0.75 -0.69 0.00 0.00 174.62 174.62 1a4j s LYS 212 N -0.45 0.02 0.00 4.92 2.20 -1.26 -0.16 119.74 125.01 1a4j s LYS 212 Ca 0.12 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1a4j s LYS 212 Cb -0.12 -0.29 -0.00 0.00 -1.51 0.00 0.00 37.83 35.91 1a4j s LYS 212 CO 0.02 -0.25 -0.03 0.54 -0.36 0.00 0.00 175.35 175.27 1a4j s VAL 213 N 1.77 0.21 -0.12 4.02 0.11 -0.02 -5.01 120.40 121.36 1a4j s VAL 213 Ca -0.02 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 1a4j s VAL 213 Cb -0.12 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1a4j s VAL 213 CO -0.05 0.02 -0.17 -1.81 -3.33 0.00 0.00 175.10 169.75 1a4j s ASP 214 N -0.18 3.62 -0.15 3.54 1.01 -1.26 -1.04 116.67 122.20 1a4j s ASP 214 Ca -0.00 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.83 1a4j s ASP 214 Cb -0.02 -1.53 0.03 0.00 1.01 0.00 0.00 42.92 42.41 1a4j s ASP 214 CO -0.00 0.15 -0.10 -0.75 0.21 0.00 0.00 175.17 174.68 1a4j s LYS 215 N 0.41 1.87 0.23 8.23 2.36 -0.88 -4.97 119.74 126.99 1a4j s LYS 215 Ca -0.13 -0.52 -0.30 0.00 -2.55 0.00 0.00 55.97 52.47 1a4j s LYS 215 Cb -0.17 -2.01 -0.09 0.00 -1.05 0.00 0.00 37.83 34.52 1a4j s LYS 215 CO 0.06 -0.32 1.09 0.21 1.55 0.00 0.00 175.35 177.94 1a4j s LYS 216 N 1.56 4.64 0.00 4.03 2.36 -1.26 -1.66 119.74 129.40 1a4j s LYS 216 Ca 0.03 1.75 0.03 0.00 -2.55 0.00 0.00 55.97 55.22 1a4j s LYS 216 Cb -0.14 -3.23 0.02 0.00 -1.05 0.00 0.00 37.83 33.43 1a4j s LYS 216 CO -0.09 0.17 0.58 0.28 1.55 0.00 0.00 175.35 177.84