#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 -1.54 0.00 1.69 0.31 -1.26 -5.07 118.33 112.46 1a4j n VAL 2 Ca 0.00 1.01 0.00 0.00 -0.01 0.00 0.00 64.34 65.34 1a4j n VAL 2 Cb 0.00 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 1a4j n VAL 2 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1a4j n GLN 3 N -3.50 0.00 -4.01 5.55 7.27 -1.26 -5.04 117.38 116.40 1a4j n GLN 3 Ca -0.05 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.72 1a4j n GLN 3 Cb 0.52 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.01 1a4j n GLN 3 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1a4j s LEU 4 N 0.00 1.79 -0.37 1.69 1.43 -1.26 -3.57 118.68 118.39 1a4j s LEU 4 Ca 0.00 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.45 1a4j s LEU 4 Cb 0.00 -1.17 0.05 0.00 0.03 0.00 0.00 46.19 45.10 1a4j s LEU 4 CO 0.00 -0.08 0.18 -0.22 0.23 0.00 0.00 176.35 176.46 1a4j s LEU 5 N 1.48 4.69 0.28 1.79 2.96 0.16 -4.14 118.68 125.90 1a4j s LEU 5 Ca 0.04 -1.24 -0.06 0.00 -0.22 0.00 0.00 54.13 52.65 1a4j s LEU 5 Cb -0.14 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1a4j s LEU 5 CO -0.10 -0.41 0.56 -1.61 -1.32 0.00 0.00 176.35 173.47 1a4j s GLU 6 N 1.44 3.65 0.91 1.98 2.02 -1.26 -0.92 118.70 126.52 1a4j s GLU 6 Ca 0.01 0.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.93 1a4j s GLU 6 Cb -0.21 -2.64 0.14 0.00 0.10 0.00 0.00 34.13 31.52 1a4j s GLU 6 CO 0.03 0.22 1.10 -1.54 0.02 0.00 0.00 175.26 175.10 1a4j s SER 7 N -3.07 3.44 1.26 -0.19 1.04 -0.68 -4.99 113.70 110.51 1a4j s SER 7 Ca 0.44 1.23 -0.19 0.00 0.48 0.00 0.00 55.95 57.92 1a4j s SER 7 Cb -0.11 -1.89 0.31 0.00 0.10 0.00 0.00 66.02 64.43 1a4j s SER 7 CO 0.29 -2.62 1.02 -0.83 0.98 0.00 0.00 173.24 172.08 1a4j s GLY 8 N -3.68 1.51 0.47 7.32 0.00 -1.26 -4.65 107.32 107.03 1a4j s GLY 8 Ca 0.63 -0.69 -0.23 0.00 0.00 0.00 0.00 44.72 44.43 1a4j s GLY 8 CO 0.56 0.18 1.23 2.56 0.00 0.00 0.00 173.10 177.63 1a4j s PRO 9 N -5.06 3.64 -0.06 2.90 0.04 -1.26 -4.66 135.00 130.53 1a4j s PRO 9 Ca 0.69 1.94 0.05 0.00 0.04 0.00 0.00 61.00 63.72 1a4j s PRO 9 Cb -0.15 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 1a4j s PRO 9 CO 0.59 -0.70 -0.23 -1.21 0.04 0.00 0.00 177.00 175.49 1a4j s GLU 10 N -2.68 2.50 -0.26 4.56 0.41 0.13 -4.98 118.70 118.37 1a4j s GLU 10 Ca 0.65 -0.84 -0.01 0.00 -0.41 0.00 0.00 54.97 54.36 1a4j s GLU 10 Cb -0.33 -2.06 0.04 0.00 -1.78 0.00 0.00 34.13 30.00 1a4j s GLU 10 CO 0.40 0.31 -0.06 -1.17 -0.49 0.00 0.00 175.26 174.24 1a4j s LEU 11 N -0.00 3.37 0.30 1.80 0.20 -1.26 0.11 118.68 123.20 1a4j s LEU 11 Ca -0.07 -1.07 0.05 0.00 0.69 0.00 0.00 54.13 53.73 1a4j s LEU 11 Cb -0.14 -1.65 -0.06 0.00 -0.43 0.00 0.00 46.19 43.91 1a4j s LEU 11 CO 0.05 -0.17 -0.01 -0.54 -0.29 0.00 0.00 176.35 175.39 1a4j s LYS 12 N 1.26 1.59 0.13 1.98 -0.14 0.22 -4.95 119.74 119.82 1a4j s LYS 12 Ca -0.03 -1.84 0.06 0.00 -1.36 0.00 0.00 55.97 52.80 1a4j s LYS 12 Cb -0.18 -1.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.91 1a4j s LYS 12 CO -0.04 -0.06 -0.01 0.15 -0.76 0.00 0.00 175.35 174.63 1a4j s LYS 13 N -3.80 2.45 0.37 1.68 1.02 -1.25 -0.51 119.74 119.70 1a4j s LYS 13 Ca 0.32 -0.96 -0.26 0.00 0.02 0.00 0.00 55.97 55.09 1a4j s LYS 13 Cb 0.06 -2.45 -0.12 0.00 -0.52 0.00 0.00 37.83 34.80 1a4j s LYS 13 CO 0.13 0.50 0.95 -2.30 -0.92 0.00 0.00 175.35 173.72 1a4j n PRO 14 N 0.29 1.26 0.00 -1.68 -0.02 -1.26 -2.35 135.00 131.23 1a4j n PRO 14 Ca -0.11 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1a4j n PRO 14 Cb 0.53 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.27 2.42 3.82 -1.23 0.00 0.12 -4.86 105.19 106.72 1a4j n GLY 15 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.35 0.07 0.08 1.61 2.02 -0.99 -3.61 118.70 117.53 1a4j s GLU 16 Ca 0.00 -0.26 0.09 0.00 0.02 0.00 0.00 54.97 54.82 1a4j s GLU 16 Cb 0.00 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.43 1a4j s GLU 16 CO 0.00 -2.82 -0.25 0.99 0.02 0.00 0.00 175.26 173.21 1a4j s THR 17 N -3.58 2.34 0.06 3.63 2.01 -1.26 -1.72 115.64 117.12 1a4j s THR 17 Ca 0.72 -1.49 0.05 0.00 0.31 0.00 0.00 61.69 61.28 1a4j s THR 17 Cb -0.06 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1a4j s THR 17 CO 0.54 0.25 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.89 1a4j s VAL 18 N -0.93 1.07 -0.16 3.82 1.01 -0.63 -4.99 120.40 119.59 1a4j s VAL 18 Ca 0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 1a4j s VAL 18 Cb -0.10 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.31 1a4j s VAL 18 CO 0.04 -0.16 0.03 -0.75 0.00 0.00 0.00 175.10 174.26 1a4j s LYS 19 N -1.53 0.60 -0.04 2.72 2.20 -1.26 -1.23 119.74 121.20 1a4j s LYS 19 Ca -0.01 -0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 55.29 1a4j s LYS 19 Cb -0.09 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 1a4j s LYS 19 CO 0.02 -0.56 0.17 0.42 -0.36 0.00 0.00 175.35 175.03 1a4j s ILE 20 N 1.91 5.42 0.14 5.43 1.01 0.15 -4.92 121.20 130.34 1a4j s ILE 20 Ca 0.01 -0.08 0.11 0.00 0.00 0.00 0.00 60.65 60.68 1a4j s ILE 20 Cb -0.16 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1a4j s ILE 20 CO -0.07 0.40 -0.24 -0.94 0.00 0.00 0.00 174.94 174.08 1a4j s SER 21 N -1.71 3.48 -0.21 3.58 1.04 -1.26 -0.62 113.70 118.01 1a4j s SER 21 Ca 0.24 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 1a4j s SER 21 Cb -0.12 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.76 1a4j s SER 21 CO 0.15 0.16 0.09 0.00 0.98 0.00 0.00 173.24 174.62 1a4j s LYS 23 N 2.05 4.23 0.39 0.00 2.47 -0.10 -0.44 119.74 128.34 1a4j s LYS 23 Ca 0.03 0.33 0.03 0.00 -1.56 0.00 0.00 55.97 54.80 1a4j s LYS 23 Cb -0.16 -3.51 0.03 0.00 -1.46 0.00 0.00 37.83 32.73 1a4j s LYS 23 CO -0.15 0.00 0.25 0.00 0.16 0.00 0.00 175.35 175.61 1a4j n ALA 24 N 4.28 0.56 -2.27 3.13 0.00 0.22 -0.66 120.51 125.75 1a4j n ALA 24 Ca -0.07 -1.57 -0.34 0.00 0.00 0.00 0.00 53.44 51.45 1a4j n ALA 24 Cb 0.51 0.68 -0.06 0.00 0.00 0.00 0.00 19.45 20.58 1a4j n ALA 24 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1a4j s SER 25 N -3.24 6.82 0.89 0.00 0.01 -1.23 -4.86 113.70 112.09 1a4j s SER 25 Ca 0.19 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.60 1a4j s SER 25 Cb -0.01 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1a4j s SER 25 CO 0.12 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1a4j n GLY 26 N 0.35 -2.57 5.00 3.44 0.00 -1.26 -2.41 105.19 107.74 1a4j n GLY 26 Ca -0.02 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1a4j n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a4j n TYR 27 N -2.35 0.00 0.50 1.61 4.01 -1.26 -3.84 117.16 115.83 1a4j n TYR 27 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1a4j n TYR 27 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1a4j n TYR 27 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1a4j n THR 28 N 0.00 0.00 -0.13 -0.72 -2.24 -1.25 -4.69 114.28 105.24 1a4j n THR 28 Ca 0.00 -0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1a4j n THR 28 Cb 0.00 1.08 0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1a4j n THR 28 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1a4j h PHE 29 N 0.74 0.01 -0.44 4.78 3.57 -1.58 -0.93 116.94 123.08 1a4j h PHE 29 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1a4j h PHE 29 Cb 0.33 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1a4j h PHE 29 CO 0.00 -0.07 0.00 0.25 -2.23 0.00 0.00 178.31 176.26 1a4j n THR 30 N -5.19 0.97 0.32 4.41 -2.24 -1.26 -3.88 114.28 107.41 1a4j n THR 30 Ca 0.04 -0.71 0.11 0.00 -2.27 0.00 0.00 64.05 61.21 1a4j n THR 30 Cb 0.23 0.11 -0.15 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.73 0.34 -4.31 3.42 4.13 -0.37 -4.54 115.26 114.66 1a4j n ASN 31 Ca 0.16 -0.32 -0.28 0.00 1.68 0.00 0.00 54.58 55.82 1a4j n ASN 31 Cb 0.54 1.67 -0.14 0.00 -1.54 0.00 0.00 39.78 40.31 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 -3.34 2.09 0.06 3.10 1.51 -1.09 -4.75 117.35 114.93 1a4j s TYR 32 Ca -0.03 -0.40 -0.27 0.00 -1.01 0.00 0.00 57.07 55.36 1a4j s TYR 32 Cb 0.15 -1.23 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 1a4j s TYR 32 CO 0.89 0.15 0.86 0.20 -1.11 0.00 0.00 175.55 176.54 1a4j s GLY 33 N -1.38 2.88 -0.36 0.71 0.00 -1.00 -4.50 107.32 103.67 1a4j s GLY 33 Ca 0.10 0.41 -0.22 0.00 0.00 0.00 0.00 44.72 45.01 1a4j s GLY 33 CO 0.03 1.29 0.74 -0.29 0.00 0.00 0.00 173.10 174.87 1a4j s MET 34 N 0.09 3.73 0.24 2.90 1.75 -1.11 -1.72 119.30 125.18 1a4j s MET 34 Ca 0.43 0.24 0.06 0.00 -1.25 0.00 0.00 55.69 55.17 1a4j s MET 34 Cb -0.22 -3.81 -0.03 0.00 2.84 0.00 0.00 34.83 33.61 1a4j s MET 34 CO 0.26 -0.82 0.25 -0.80 -0.65 0.00 0.00 175.02 173.26 1a4j s ASN 35 N 1.83 5.82 -0.04 1.11 0.02 0.19 -0.71 114.94 123.16 1a4j s ASN 35 Ca 0.29 -0.12 0.01 0.00 -1.02 0.00 0.00 52.86 52.02 1a4j s ASN 35 Cb -0.14 -1.58 0.02 0.00 0.02 0.00 0.00 41.25 39.58 1a4j s ASN 35 CO 0.16 -0.04 -0.05 0.26 0.02 0.00 0.00 177.10 177.44 1a4j s TRP 36 N -2.06 0.80 -0.01 2.20 0.52 -0.50 -0.02 118.94 119.87 1a4j s TRP 36 Ca 0.33 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 56.25 1a4j s TRP 36 Cb -0.08 -0.68 -0.00 0.00 -1.15 0.00 0.00 33.47 31.56 1a4j s TRP 36 CO 0.26 -0.18 -0.08 0.14 0.02 0.00 0.00 176.95 177.11 1a4j s VAL 37 N 0.78 0.67 0.05 4.03 -7.23 -0.02 -0.82 120.40 117.87 1a4j s VAL 37 Ca -0.11 -0.34 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1a4j s VAL 37 Cb -0.14 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1a4j s VAL 37 CO 0.01 0.20 0.22 -0.75 -0.31 0.00 0.00 175.10 174.47 1a4j s LYS 38 N -0.06 3.46 -0.29 4.82 2.20 0.22 -0.72 119.74 129.38 1a4j s LYS 38 Ca 0.01 -0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.22 1a4j s LYS 38 Cb -0.05 -3.04 0.10 0.00 -1.51 0.00 0.00 37.83 33.33 1a4j s LYS 38 CO -0.00 0.61 0.12 -1.14 -0.36 0.00 0.00 175.35 174.59 1a4j s GLN 39 N -2.36 0.25 0.39 4.03 0.74 -0.83 -0.79 119.66 121.10 1a4j s GLN 39 Ca 0.33 -0.59 -0.25 0.00 0.05 0.00 0.00 55.36 54.90 1a4j s GLN 39 Cb -0.13 -1.28 -0.09 0.00 1.10 0.00 0.00 33.01 32.62 1a4j s GLN 39 CO 0.25 -1.01 1.16 0.00 -0.55 0.00 0.00 175.29 175.14 1a4j s ALA 40 N 2.04 3.18 -0.44 1.58 0.00 -1.26 -1.86 121.76 125.00 1a4j s ALA 40 Ca 0.09 0.95 -0.44 0.00 0.00 0.00 0.00 51.96 52.56 1a4j s ALA 40 Cb -0.16 -3.37 -0.18 0.00 0.00 0.00 0.00 23.12 19.40 1a4j s ALA 40 CO -0.35 -0.49 1.79 -2.30 0.00 0.00 0.00 175.76 174.41 1a4j n PRO 41 N 0.15 0.33 -1.27 0.00 -0.02 -1.26 0.86 135.00 133.79 1a4j n PRO 41 Ca 0.04 0.11 -0.09 0.00 -2.02 0.00 0.00 63.50 61.54 1a4j n PRO 41 Cb 0.46 -1.70 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 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 4.98 1.04 3.87 -1.23 0.00 -1.26 -4.99 105.19 107.59 1a4j n GLY 42 Ca 0.36 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.58 2.28 0.00 1.61 -0.14 0.25 -5.14 119.74 116.03 1a4j s LYS 43 Ca 0.00 -1.96 0.00 0.00 -1.36 0.00 0.00 55.97 52.65 1a4j s LYS 43 Cb 0.00 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.06 1a4j s LYS 43 CO 0.00 -0.49 0.00 0.41 -0.76 0.00 0.00 175.35 174.51 1a4j n GLY 44 N -1.65 -1.74 3.49 -3.33 0.00 -1.26 -4.61 105.19 96.10 1a4j n GLY 44 Ca -0.02 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 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 3.27 -0.21 0.99 1.43 -1.26 -4.17 118.68 118.73 1a4j s LEU 45 Ca 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1a4j s LEU 45 Cb 0.00 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1a4j s LEU 45 CO 0.00 0.15 -0.14 -0.54 0.23 0.00 0.00 176.35 176.05 1a4j s LYS 46 N 0.48 2.92 -0.11 1.70 3.01 0.03 -4.97 119.74 122.81 1a4j s LYS 46 Ca -0.03 -0.89 -0.29 0.00 -1.01 0.00 0.00 55.97 53.74 1a4j s LYS 46 Cb -0.14 -2.75 -0.03 0.00 -1.01 0.00 0.00 37.83 33.90 1a4j s LYS 46 CO 0.03 -0.29 1.41 -0.46 0.51 0.00 0.00 175.35 176.55 1a4j s TRP 47 N 1.30 2.54 -0.23 3.18 -0.00 -1.26 -0.61 118.94 123.86 1a4j s TRP 47 Ca 0.03 0.71 0.20 0.00 -0.00 0.00 0.00 56.10 57.03 1a4j s TRP 47 Cb -0.15 -3.66 0.02 0.00 -0.00 0.00 0.00 33.47 29.68 1a4j s TRP 47 CO -0.09 -2.52 1.11 0.52 -0.00 0.00 0.00 176.95 175.97 1a4j h MET 48 N 8.64 0.00 0.00 5.86 2.86 -1.35 -3.44 114.93 127.50 1a4j h MET 48 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1a4j h MET 48 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1a4j h MET 48 CO 0.96 0.13 0.00 0.41 1.06 0.00 0.00 176.91 179.47 1a4j n GLY 49 N 1.23 0.70 3.02 8.32 0.00 -1.23 -0.82 105.19 116.41 1a4j n GLY 49 Ca -0.02 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 1a4j n GLY 49 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1a4j n TRP 50 N 4.89 -1.57 -3.78 1.61 4.27 -0.50 -1.41 117.44 120.95 1a4j n TRP 50 Ca 0.00 -1.92 -0.14 0.00 -3.89 0.00 0.00 57.50 51.55 1a4j n TRP 50 Cb 0.00 0.57 -0.15 0.00 -1.36 0.00 0.00 31.31 30.37 1a4j n TRP 50 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1a4j s ILE 51 N -2.61 -0.04 -0.21 -1.67 2.07 0.12 -0.83 121.20 118.02 1a4j s ILE 51 Ca 0.22 0.15 -0.29 0.00 -1.41 0.00 0.00 60.65 59.32 1a4j s ILE 51 Cb -0.02 -0.13 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 1a4j s ILE 51 CO 0.16 0.06 1.67 0.21 -1.91 0.00 0.00 174.94 175.13 1a4j s ASN 52 N 0.84 6.32 0.10 4.50 2.47 -0.68 -2.75 114.94 125.74 1a4j s ASN 52 Ca -0.07 1.67 0.19 0.00 0.42 0.00 0.00 52.86 55.07 1a4j s ASN 52 Cb -0.09 -2.53 0.78 0.00 -1.45 0.00 0.00 41.25 37.95 1a4j s ASN 52 CO -0.03 -1.30 1.58 0.35 -3.72 0.00 0.00 177.10 173.98 1a4j n THR 53 N 6.46 0.89 -0.10 -5.21 -2.24 -1.26 -0.31 114.28 112.52 1a4j n THR 53 Ca 0.19 0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 62.05 1a4j n THR 53 Cb 0.45 -1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.78 0.61 0.75 4.78 9.36 -1.26 -4.51 117.16 125.11 1a4j n TYR 54 Ca 0.03 0.26 0.13 0.00 3.32 0.00 0.00 57.90 61.64 1a4j n TYR 54 Cb 0.20 -0.85 0.32 0.00 -0.63 0.00 0.00 39.34 38.39 1a4j n TYR 54 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1a4j n THR 55 N -4.47 0.28 -0.64 2.97 -2.24 -1.24 -4.94 114.28 103.99 1a4j n THR 55 Ca -0.24 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1a4j n THR 55 Cb 0.54 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.39 1.63 3.68 3.38 0.00 0.58 -5.01 105.19 110.84 1a4j n GLY 56 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.03 4.39 0.41 1.61 0.41 -1.24 -4.72 118.70 119.54 1a4j s GLU 57 Ca 0.00 1.31 -0.09 0.00 -0.41 0.00 0.00 54.97 55.79 1a4j s GLU 57 Cb 0.00 -3.55 -0.06 0.00 -1.78 0.00 0.00 34.13 28.74 1a4j s GLU 57 CO 0.00 -0.32 0.76 -1.25 -0.49 0.00 0.00 175.26 173.96 1a4j s PRO 58 N 2.05 3.71 -0.09 0.39 0.04 -1.26 -1.69 135.00 138.16 1a4j s PRO 58 Ca 0.46 0.38 -0.02 0.00 0.04 0.00 0.00 61.00 61.86 1a4j s PRO 58 Cb -0.18 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 31.99 1a4j s PRO 58 CO 0.16 -0.06 0.01 0.99 0.04 0.00 0.00 177.00 178.15 1a4j s THR 59 N -2.44 0.38 -0.06 1.26 2.01 -0.01 -4.98 115.64 111.81 1a4j s THR 59 Ca 0.50 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.50 1a4j s THR 59 Cb -0.10 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1a4j s THR 59 CO 0.34 0.18 0.08 -0.31 -0.69 0.00 0.00 174.62 174.22 1a4j s TYR 60 N 1.96 3.34 0.45 4.92 2.02 -1.26 -1.41 117.35 127.38 1a4j s TYR 60 Ca 0.04 0.29 -0.22 0.00 -0.37 0.00 0.00 57.07 56.82 1a4j s TYR 60 Cb -0.13 -1.81 -0.09 0.00 -0.40 0.00 0.00 41.96 39.54 1a4j s TYR 60 CO -0.06 0.58 1.05 0.00 -1.57 0.00 0.00 175.55 175.55 1a4j s ALA 61 N -1.07 2.95 0.33 3.71 0.00 0.00 -4.89 121.76 122.79 1a4j s ALA 61 Ca 0.18 0.66 0.11 0.00 0.00 0.00 0.00 51.96 52.92 1a4j s ALA 61 Cb -0.12 -3.27 1.00 0.00 0.00 0.00 0.00 23.12 20.74 1a4j s ALA 61 CO 0.08 -0.31 1.63 -0.44 0.00 0.00 0.00 175.76 176.73 1a4j h ASP 62 N 1.92 0.23 0.35 0.00 3.32 -1.93 0.34 116.42 120.65 1a4j h ASP 62 Ca -0.49 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1a4j h ASP 62 Cb 1.22 0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1a4j h ASP 62 CO 0.60 -0.23 0.00 0.47 -1.72 0.00 0.00 179.24 178.37 1a4j n ASP 63 N -5.19 0.00 -1.31 6.45 8.00 -1.26 -3.42 116.55 119.82 1a4j n ASP 63 Ca 0.29 -0.15 0.02 0.00 0.71 0.00 0.00 54.79 55.66 1a4j n ASP 63 Cb 0.94 -0.24 0.10 0.00 -0.02 0.00 0.00 41.12 41.90 1a4j n ASP 63 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1a4j n PHE 64 N -1.24 0.38 -3.36 1.24 3.01 0.12 -4.99 117.46 112.63 1a4j n PHE 64 Ca 0.12 -1.23 -0.44 0.00 1.01 0.00 0.00 57.45 56.91 1a4j n PHE 64 Cb 0.16 -0.22 -0.08 0.00 -0.01 0.00 0.00 39.48 39.33 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 -2.03 3.01 0.00 -1.08 1.02 -1.19 -4.21 119.74 115.27 1a4j s LYS 65 Ca 0.37 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1a4j s LYS 65 Cb 0.38 -4.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1a4j s LYS 65 CO -0.10 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 1a4j n GLY 66 N 5.18 1.12 0.79 -3.33 0.00 -1.26 -4.94 105.19 102.75 1a4j n GLY 66 Ca -0.11 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 2.94 -5.21 1.61 1.74 -1.26 -4.98 116.66 111.51 1a4j n ARG 67 Ca 0.00 -2.46 -0.31 0.00 -0.77 0.00 0.00 57.85 54.31 1a4j n ARG 67 Cb 0.00 -1.57 -0.17 0.00 -1.02 0.00 0.00 32.46 29.71 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 -1.90 2.39 -0.08 -1.55 0.40 -1.26 -1.20 117.98 114.78 1a4j s PHE 68 Ca 0.33 -0.79 -0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1a4j s PHE 68 Cb 0.23 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 42.21 1a4j s PHE 68 CO 0.13 -0.27 -0.01 0.00 0.70 0.00 0.00 175.22 175.77 1a4j s ALA 69 N 0.01 0.82 -0.24 5.36 0.00 -0.57 -4.95 121.76 122.19 1a4j s ALA 69 Ca -0.08 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 1a4j s ALA 69 Cb -0.15 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1a4j s ALA 69 CO 0.05 -0.47 0.26 -0.06 0.00 0.00 0.00 175.76 175.55 1a4j s PHE 70 N 1.92 3.31 0.36 0.00 0.08 -1.26 -1.62 117.98 120.77 1a4j s PHE 70 Ca 0.05 0.35 0.05 0.00 0.12 0.00 0.00 56.93 57.49 1a4j s PHE 70 Cb -0.12 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 39.89 1a4j s PHE 70 CO -0.06 -0.03 0.18 -1.54 -0.10 0.00 0.00 175.22 173.66 1a4j s SER 71 N 1.24 2.22 0.15 1.36 1.04 -0.89 -4.76 113.70 114.06 1a4j s SER 71 Ca 0.12 -1.67 -0.12 0.00 0.48 0.00 0.00 55.95 54.75 1a4j s SER 71 Cb -0.15 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1a4j s SER 71 CO 0.07 -0.96 0.34 -1.48 0.98 0.00 0.00 173.24 172.20 1a4j s LEU 72 N -3.49 0.73 -0.54 2.42 0.05 -1.26 -1.05 118.68 115.54 1a4j s LEU 72 Ca 0.31 -0.63 0.06 0.00 0.05 0.00 0.00 54.13 53.92 1a4j s LEU 72 Cb 0.03 1.51 0.24 0.00 -2.05 0.00 0.00 46.19 45.92 1a4j s LEU 72 CO 0.19 -0.89 0.61 1.21 -0.55 0.00 0.00 176.35 176.91 1a4j n GLU 73 N -0.22 1.64 -0.32 1.48 0.00 0.13 -4.96 120.64 118.39 1a4j n GLU 73 Ca -0.11 -4.03 0.16 0.00 0.00 0.00 0.00 57.16 53.19 1a4j n GLU 73 Cb 0.63 -1.85 0.33 0.00 0.00 0.00 0.00 31.44 30.55 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 3.00 0.11 -0.25 6.31 1.35 -1.96 0.65 112.91 122.12 1a4j h THR 74 Ca 0.15 -0.02 0.07 0.00 -0.55 0.00 0.00 66.41 66.06 1a4j h THR 74 Cb 0.77 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 1a4j h THR 74 CO 0.66 0.01 0.32 0.77 -0.25 0.00 0.00 175.52 177.03 1a4j h SER 75 N 0.07 0.00 -0.03 5.36 4.64 -1.94 -1.91 113.55 119.73 1a4j h SER 75 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1a4j h SER 75 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1a4j h SER 75 CO -0.81 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.15 1a4j n ALA 76 N -2.26 2.09 -2.46 5.18 0.00 0.22 -4.98 120.51 118.29 1a4j n ALA 76 Ca 0.03 -1.38 -0.16 0.00 0.00 0.00 0.00 53.44 51.93 1a4j n ALA 76 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.63 -4.78 -4.49 0.00 2.88 -0.72 -4.79 113.62 101.10 1a4j n SER 77 Ca 0.05 0.08 -0.33 0.00 -1.33 0.00 0.00 58.87 57.34 1a4j n SER 77 Cb 0.36 -4.01 -0.13 0.00 -0.75 0.00 0.00 64.21 59.68 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 -2.81 3.13 -0.06 2.46 2.01 -1.15 -0.61 115.64 118.60 1a4j s THR 78 Ca 0.02 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1a4j s THR 78 Cb -0.01 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1a4j s THR 78 CO 0.02 0.57 -0.20 0.00 -0.69 0.00 0.00 174.62 174.32 1a4j s ALA 79 N -0.76 2.38 0.20 7.40 0.00 0.41 0.21 121.76 131.60 1a4j s ALA 79 Ca 0.12 -1.02 0.11 0.00 0.00 0.00 0.00 51.96 51.18 1a4j s ALA 79 Cb -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1a4j s ALA 79 CO 0.01 0.45 -0.24 0.71 0.00 0.00 0.00 175.76 176.69 1a4j s TYR 80 N -0.33 2.30 -0.09 0.00 1.51 -0.22 0.40 117.35 120.93 1a4j s TYR 80 Ca 0.02 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1a4j s TYR 80 Cb -0.13 -1.14 0.02 0.00 -0.11 0.00 0.00 41.96 40.61 1a4j s TYR 80 CO 0.02 0.51 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.69 1a4j s LEU 81 N -2.70 1.49 -0.05 -1.29 0.20 0.21 -2.09 118.68 114.44 1a4j s LEU 81 Ca 0.21 -0.32 0.05 0.00 0.69 0.00 0.00 54.13 54.76 1a4j s LEU 81 Cb -0.08 -0.87 -0.01 0.00 -0.43 0.00 0.00 46.19 44.81 1a4j s LEU 81 CO 0.10 -0.03 -0.21 -1.58 -0.29 0.00 0.00 176.35 174.34 1a4j s GLN 82 N 1.11 2.20 -0.14 1.98 0.74 -0.64 0.33 119.66 125.23 1a4j s GLN 82 Ca -0.06 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.60 1a4j s GLN 82 Cb -0.14 -1.87 0.02 0.00 1.10 0.00 0.00 33.01 32.11 1a4j s GLN 82 CO -0.02 0.30 -0.16 0.42 -0.55 0.00 0.00 175.29 175.29 1a4j s ILE 83 N -0.04 1.67 0.26 -2.34 1.01 -0.37 -1.51 121.20 119.89 1a4j s ILE 83 Ca -0.04 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1a4j s ILE 83 Cb -0.13 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1a4j s ILE 83 CO 0.03 0.48 0.26 0.20 0.00 0.00 0.00 174.94 175.91 1a4j s ASN 84 N 1.28 5.71 -1.25 3.58 -0.87 -0.34 -1.61 114.94 121.45 1a4j s ASN 84 Ca 0.01 -0.19 -0.18 0.00 -1.57 0.00 0.00 52.86 50.93 1a4j s ASN 84 Cb -0.14 -1.47 0.01 0.00 -0.02 0.00 0.00 41.25 39.64 1a4j s ASN 84 CO -0.08 -0.09 0.62 -3.20 -2.57 0.00 0.00 177.10 171.78 1a4j n ASN 85 N -1.27 -3.35 -4.61 -1.22 5.15 -0.92 -4.83 115.26 104.21 1a4j n ASN 85 Ca -0.07 -1.10 -0.44 0.00 -0.60 0.00 0.00 54.58 52.37 1a4j n ASN 85 Cb 0.58 -2.78 -0.01 0.00 -0.53 0.00 0.00 39.78 37.04 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 -4.48 2.17 -4.44 1.20 7.99 -0.70 -4.45 117.00 114.30 1a4j n LEU 86 Ca -0.17 1.19 -0.23 0.00 -0.01 0.00 0.00 56.01 56.79 1a4j n LEU 86 Cb 0.62 -1.33 -0.10 0.00 -0.11 0.00 0.00 43.42 42.50 1a4j n LEU 86 CO 0.72 -1.20 -0.47 -0.54 -1.51 0.00 0.00 177.39 174.39 1a4j s LYS 87 N -1.60 1.59 0.38 3.23 1.02 -1.26 0.13 119.74 123.23 1a4j s LYS 87 Ca 0.58 -1.73 0.08 0.00 0.02 0.00 0.00 55.97 54.92 1a4j s LYS 87 Cb -0.67 -1.61 0.80 0.00 -0.52 0.00 0.00 37.83 35.83 1a4j s LYS 87 CO 0.60 0.29 1.97 -0.91 -0.92 0.00 0.00 175.35 176.38 1a4j h ASN 88 N 2.34 0.60 0.23 2.83 2.35 -1.97 -0.40 115.58 121.56 1a4j h ASN 88 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1a4j h ASN 88 Cb 1.25 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1a4j h ASN 88 CO 0.61 0.38 0.00 -0.62 -1.65 0.00 0.00 177.43 176.15 1a4j n GLU 89 N -4.48 0.10 0.00 0.81 4.71 -1.26 -1.13 120.64 119.39 1a4j n GLU 89 Ca 0.10 0.23 0.13 0.00 -0.01 0.00 0.00 57.16 57.61 1a4j n GLU 89 Cb 0.25 -1.50 0.39 0.00 -1.01 0.00 0.00 31.44 29.57 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 -1.35 0.44 -4.62 1.62 8.00 -0.16 -4.86 116.55 115.62 1a4j n ASP 90 Ca 0.04 -0.18 -0.44 0.00 0.71 0.00 0.00 54.79 54.92 1a4j n ASP 90 Cb 0.09 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.35 0.50 -3.94 -3.53 -1.04 -0.28 -4.83 114.28 99.81 1a4j n THR 91 Ca 0.08 -0.30 0.02 0.00 -2.04 0.00 0.00 64.05 61.80 1a4j n THR 91 Cb 0.33 -2.34 0.01 0.00 -1.82 0.00 0.00 70.33 66.51 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 9.65 -2.32 -3.11 2.41 0.00 -0.81 -4.42 120.51 121.91 1a4j n ALA 92 Ca 0.27 -0.53 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 1a4j n ALA 92 Cb 0.40 0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.08 3.86 -0.23 0.00 2.01 -0.78 0.07 115.64 118.50 1a4j s THR 93 Ca 0.19 -0.35 -0.09 0.00 0.31 0.00 0.00 61.69 61.76 1a4j s THR 93 Cb -0.01 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1a4j s THR 93 CO -0.00 0.44 0.10 -0.31 -0.69 0.00 0.00 174.62 174.16 1a4j s TYR 94 N 0.92 3.22 -0.11 4.92 1.51 0.27 -1.97 117.35 126.11 1a4j s TYR 94 Ca 0.01 -0.01 -0.05 0.00 -1.01 0.00 0.00 57.07 56.00 1a4j s TYR 94 Cb -0.14 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 1a4j s TYR 94 CO 0.02 -0.04 0.09 -0.06 -1.11 0.00 0.00 175.55 174.45 1a4j s PHE 95 N 1.03 3.44 -0.19 2.71 0.08 0.10 -0.68 117.98 124.46 1a4j s PHE 95 Ca 0.05 0.41 -0.04 0.00 0.12 0.00 0.00 56.93 57.47 1a4j s PHE 95 Cb -0.14 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1a4j s PHE 95 CO 0.04 0.64 -0.02 0.00 -0.10 0.00 0.00 175.22 175.77 1a4j s VAL 97 N 0.96 1.05 -0.11 0.00 1.01 0.97 -0.82 120.40 123.47 1a4j s VAL 97 Ca 0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1a4j s VAL 97 Cb -0.14 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1a4j s VAL 97 CO 0.01 0.32 0.29 -1.10 0.00 0.00 0.00 175.10 174.63 1a4j s GLN 98 N 0.29 4.00 0.02 2.72 -0.21 -0.11 0.54 119.66 126.91 1a4j s GLN 98 Ca -0.06 0.13 0.09 0.00 0.02 0.00 0.00 55.36 55.54 1a4j s GLN 98 Cb -0.11 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 1a4j s GLN 98 CO 0.02 0.47 -0.26 0.00 -2.12 0.00 0.00 175.29 173.40 1a4j s ALA 99 N -0.25 2.16 -0.00 6.09 0.00 -0.70 -1.06 121.76 128.00 1a4j s ALA 99 Ca 0.18 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 1a4j s ALA 99 Cb -0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1a4j s ALA 99 CO 0.06 0.52 0.55 -2.00 0.00 0.00 0.00 175.76 174.89 1a4j s GLU 100 N -1.01 4.24 0.09 0.00 -6.30 -0.97 -2.37 118.70 112.38 1a4j s GLU 100 Ca 0.11 0.66 -0.21 0.00 -2.50 0.00 0.00 54.97 53.03 1a4j s GLU 100 Cb -0.10 -3.31 -0.10 0.00 0.00 0.00 0.00 34.13 30.61 1a4j s GLU 100 CO 0.01 0.45 1.63 -0.09 0.02 0.00 0.00 175.26 177.27 1a4j h ARG 101 N 5.40 0.24 0.56 4.30 2.43 -1.92 0.38 114.38 125.77 1a4j h ARG 101 Ca -0.46 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 1a4j h ARG 101 Cb 1.20 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1a4j h ARG 101 CO 0.68 0.31 -0.27 1.25 -1.51 0.00 0.00 179.97 180.43 1a4j h LEU 102 N 0.10 -0.64 -1.20 3.80 7.12 -1.99 -3.22 115.31 119.29 1a4j h LEU 102 Ca 0.05 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 58.02 1a4j h LEU 102 Cb 0.17 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 1a4j h LEU 102 CO -0.00 -0.44 -0.31 0.03 -0.13 0.00 0.00 178.44 177.59 1a4j h ARG 103 N -0.79 0.00 -3.45 1.25 3.08 -2.01 -3.47 114.38 108.99 1a4j h ARG 103 Ca -0.08 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.69 1a4j h ARG 103 Cb 0.58 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.68 1a4j h ARG 103 CO 0.13 0.31 -0.43 0.54 -1.07 0.00 0.00 179.97 179.44 1a4j n ARG 104 N -3.62 -3.81 -4.08 0.04 1.74 0.13 -5.01 116.66 102.05 1a4j n ARG 104 Ca -0.01 0.62 -0.26 0.00 -0.77 0.00 0.00 57.85 57.43 1a4j n ARG 104 Cb 0.43 -4.90 -0.05 0.00 -1.02 0.00 0.00 32.46 26.91 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 -3.03 4.50 -1.11 0.55 -4.23 -1.21 -4.90 115.64 106.21 1a4j s THR 105 Ca 0.25 -1.09 -0.14 0.00 -1.18 0.00 0.00 61.69 59.53 1a4j s THR 105 Cb -0.11 -3.30 0.18 0.00 1.34 0.00 0.00 72.50 70.62 1a4j s THR 105 CO 0.31 -0.12 1.28 -0.36 -0.54 0.00 0.00 174.62 175.19 1a4j s PHE 106 N -1.76 3.58 0.03 3.99 0.08 -1.26 -2.30 117.98 120.34 1a4j s PHE 106 Ca 0.31 -2.08 -0.22 0.00 0.12 0.00 0.00 56.93 55.06 1a4j s PHE 106 Cb -0.10 -4.20 -0.12 0.00 -0.57 0.00 0.00 43.02 38.03 1a4j s PHE 106 CO 0.23 -1.31 1.21 -0.44 -0.10 0.00 0.00 175.22 174.81 1a4j h ASP 107 N 7.43 -0.68 -3.68 1.36 3.32 -1.47 -3.45 116.42 119.26 1a4j h ASP 107 Ca 0.25 0.02 -0.68 0.00 0.02 0.00 0.00 57.03 56.65 1a4j h ASP 107 Cb 0.91 0.18 -0.27 0.00 0.22 0.00 0.00 39.33 40.37 1a4j h ASP 107 CO 1.15 -0.44 -0.80 -0.47 -1.72 0.00 0.00 179.24 176.96 1a4j s TYR 108 N -4.54 2.69 0.02 4.55 6.14 -1.16 -4.98 117.35 120.07 1a4j s TYR 108 Ca -0.12 -0.54 0.06 0.00 0.64 0.00 0.00 57.07 57.11 1a4j s TYR 108 Cb 0.01 -1.72 -0.03 0.00 0.42 0.00 0.00 41.96 40.64 1a4j s TYR 108 CO 0.35 -0.11 -0.14 -1.58 0.64 0.00 0.00 175.55 174.71 1a4j s TRP 109 N -0.08 2.68 0.80 4.97 0.52 -1.26 -0.94 118.94 125.62 1a4j s TRP 109 Ca -0.03 -0.18 -0.13 0.00 0.02 0.00 0.00 56.10 55.77 1a4j s TRP 109 Cb -0.14 -1.52 0.19 0.00 -1.15 0.00 0.00 33.47 30.85 1a4j s TRP 109 CO 0.04 0.29 0.92 0.41 0.02 0.00 0.00 176.95 178.63 1a4j n GLY 110 N 1.59 -1.89 0.19 0.98 0.00 0.00 -4.72 105.19 101.34 1a4j n GLY 110 Ca -0.16 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.31 1a4j n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4j h ALA 111 N -2.11 0.90 0.00 4.61 0.00 -1.90 -3.45 119.26 117.31 1a4j h ALA 111 Ca -0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1a4j h ALA 111 Cb 0.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a4j h ALA 111 CO 0.22 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1a4j n GLY 112 N 0.58 1.90 3.31 0.00 0.00 -1.26 -5.00 105.19 104.72 1a4j n GLY 112 Ca 0.01 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.82 3.05 -0.19 2.61 2.01 0.14 -4.84 115.64 117.60 1a4j s THR 113 Ca 0.00 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 1a4j s THR 113 Cb 0.00 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1a4j s THR 113 CO 0.00 0.48 0.76 -0.89 -0.69 0.00 0.00 174.62 174.28 1a4j s THR 114 N 0.95 4.93 -0.13 -0.82 2.01 -1.26 0.94 115.64 122.26 1a4j s THR 114 Ca -0.02 1.46 0.00 0.00 0.31 0.00 0.00 61.69 63.44 1a4j s THR 114 Cb -0.15 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 1a4j s THR 114 CO -0.01 0.04 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.14 1a4j s VAL 115 N 2.15 3.03 -0.20 3.82 1.01 0.11 0.19 120.40 130.50 1a4j s VAL 115 Ca 0.34 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1a4j s VAL 115 Cb -0.16 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1a4j s VAL 115 CO 0.11 0.53 -0.17 -0.89 0.00 0.00 0.00 175.10 174.68 1a4j s THR 116 N 0.31 2.08 -0.26 3.92 2.01 0.31 -1.92 115.64 122.09 1a4j s THR 116 Ca -0.10 -1.14 -0.07 0.00 0.31 0.00 0.00 61.69 60.69 1a4j s THR 116 Cb -0.16 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1a4j s THR 116 CO 0.06 0.37 0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 1a4j s VAL 117 N 1.24 4.15 0.02 3.82 1.01 -1.25 0.70 120.40 130.08 1a4j s VAL 117 Ca 0.01 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 1a4j s VAL 117 Cb -0.15 -2.99 0.07 0.00 0.00 0.00 0.00 36.38 33.31 1a4j s VAL 117 CO -0.11 0.27 0.64 -0.55 0.00 0.00 0.00 175.10 175.36 1a4j s SER 118 N 1.58 -0.62 0.00 3.32 0.15 0.34 -4.49 113.70 113.97 1a4j s SER 118 Ca 0.05 0.47 0.25 0.00 0.70 0.00 0.00 55.95 57.43 1a4j s SER 118 Cb -0.16 0.55 0.45 0.00 -1.71 0.00 0.00 66.02 65.16 1a4j s SER 118 CO 0.03 -0.72 1.40 -1.54 1.20 0.00 0.00 173.24 173.61 1a4j n SER 119 N 0.50 2.34 -4.72 5.45 3.41 -1.26 -3.92 113.62 115.41 1a4j n SER 119 Ca -0.18 -1.74 -0.36 0.00 -0.26 0.00 0.00 58.87 56.33 1a4j n SER 119 Cb 0.60 0.06 0.08 0.00 -0.26 0.00 0.00 64.21 64.69 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 -2.08 2.24 0.02 7.33 0.00 -1.26 -5.02 121.76 122.99 1a4j s ALA 120 Ca 0.30 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 53.32 1a4j s ALA 120 Cb 0.20 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1a4j s ALA 120 CO 0.35 -1.74 0.13 -1.12 0.00 0.00 0.00 175.76 173.38 1a4j s SER 121 N -1.67 5.97 0.09 0.00 0.01 -1.26 -5.03 113.70 111.81 1a4j s SER 121 Ca 0.79 0.19 -0.36 0.00 1.31 0.00 0.00 55.95 57.88 1a4j s SER 121 Cb -0.34 -1.77 -0.17 0.00 0.21 0.00 0.00 66.02 63.96 1a4j s SER 121 CO 0.42 0.23 1.29 0.41 0.41 0.00 0.00 173.24 176.01 1a4j n THR 122 N 0.82 0.14 -3.71 1.44 -1.04 -1.26 -4.68 114.28 105.99 1a4j n THR 122 Ca -0.10 -0.04 -0.11 0.00 -2.04 0.00 0.00 64.05 61.76 1a4j n THR 122 Cb 0.52 -0.77 -0.11 0.00 -1.82 0.00 0.00 70.33 68.15 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 0.32 0.35 0.51 -2.82 2.20 0.32 -4.92 119.74 115.70 1a4j s LYS 123 Ca 0.83 0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 56.92 1a4j s LYS 123 Cb -0.96 -0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 35.28 1a4j s LYS 123 CO 0.48 -0.14 1.04 0.20 -0.36 0.00 0.00 175.35 176.57 1a4j s GLY 124 N 1.16 2.39 0.89 5.54 0.00 -1.26 -1.07 107.32 114.97 1a4j s GLY 124 Ca -0.08 0.53 -0.14 0.00 0.00 0.00 0.00 44.72 45.04 1a4j s GLY 124 CO -0.09 0.85 1.22 2.56 0.00 0.00 0.00 173.10 177.63 1a4j s PRO 125 N -3.48 1.31 -0.15 2.90 0.04 -1.26 -4.57 135.00 129.79 1a4j s PRO 125 Ca 0.66 -0.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.66 1a4j s PRO 125 Cb -0.16 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1a4j s PRO 125 CO 0.25 -2.02 -0.14 -1.12 0.04 0.00 0.00 177.00 174.01 1a4j s SER 126 N -4.58 3.84 -0.29 6.66 0.01 -0.24 -4.93 113.70 114.17 1a4j s SER 126 Ca 0.66 -0.40 -0.08 0.00 1.31 0.00 0.00 55.95 57.44 1a4j s SER 126 Cb -0.09 -1.59 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1a4j s SER 126 CO 0.51 0.11 0.11 -0.69 0.41 0.00 0.00 173.24 173.69 1a4j s VAL 127 N 0.65 4.33 0.07 3.43 1.01 -1.26 -1.69 120.40 126.94 1a4j s VAL 127 Ca -0.07 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1a4j s VAL 127 Cb -0.16 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1a4j s VAL 127 CO 0.02 0.15 -0.13 -0.36 0.00 0.00 0.00 175.10 174.78 1a4j s PHE 128 N 1.58 2.69 0.39 5.22 0.08 -0.42 -4.94 117.98 122.58 1a4j s PHE 128 Ca 0.04 -0.17 -0.23 0.00 0.12 0.00 0.00 56.93 56.69 1a4j s PHE 128 Cb -0.17 -1.47 -0.10 0.00 -0.57 0.00 0.00 43.02 40.72 1a4j s PHE 128 CO 0.04 0.36 0.97 -1.25 -0.10 0.00 0.00 175.22 175.24 1a4j s PRO 129 N -1.83 4.31 -0.81 0.24 0.04 -1.26 -0.06 135.00 135.63 1a4j s PRO 129 Ca 0.18 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1a4j s PRO 129 Cb -0.11 -2.44 0.20 0.00 0.04 0.00 0.00 34.50 32.19 1a4j s PRO 129 CO 0.10 0.03 0.65 -0.51 0.04 0.00 0.00 177.00 177.32 1a4j s LEU 130 N -2.74 5.25 0.35 -3.56 1.02 0.28 -4.80 118.68 114.49 1a4j s LEU 130 Ca 0.58 -3.74 -0.29 0.00 0.02 0.00 0.00 54.13 50.70 1a4j s LEU 130 Cb -0.15 -1.80 -0.12 0.00 0.02 0.00 0.00 46.19 44.15 1a4j s LEU 130 CO 0.19 -0.15 1.46 0.00 0.02 0.00 0.00 176.35 177.87 1a4j n ALA 131 N 2.24 2.13 -1.77 4.21 0.00 -1.26 -1.85 120.51 124.20 1a4j n ALA 131 Ca 0.20 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.60 1a4j n ALA 131 Cb 0.36 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 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 -1.68 4.10 -0.42 0.00 0.04 -1.26 -4.54 135.00 131.24 1a4j s PRO 132 Ca 0.56 1.99 -0.43 0.00 0.04 0.00 0.00 61.00 63.16 1a4j s PRO 132 Cb -0.51 -2.79 -0.18 0.00 0.04 0.00 0.00 34.50 31.07 1a4j s PRO 132 CO 0.60 -0.33 1.83 0.45 0.04 0.00 0.00 177.00 179.59 1a4j n SER 133 N 0.25 1.57 -0.08 6.66 2.88 -1.26 -4.85 113.62 118.80 1a4j n SER 133 Ca 0.03 0.96 -0.19 0.00 -1.33 0.00 0.00 58.87 58.35 1a4j n SER 133 Cb 0.45 -1.00 -0.12 0.00 -0.75 0.00 0.00 64.21 62.78 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 7.35 0.03 0.00 -3.46 4.64 -1.97 -3.15 113.55 116.98 1a4j h SER 134 Ca -0.36 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.23 1a4j h SER 134 Cb 1.36 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1a4j h SER 134 CO 1.00 1.29 0.00 0.29 -0.87 0.00 0.00 176.83 178.54 1a4j n LYS 135 N -4.48 0.42 -2.72 4.77 4.01 -1.26 -2.14 118.16 116.77 1a4j n LYS 135 Ca -0.22 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.50 1a4j n LYS 135 Cb 0.61 -1.10 0.11 0.00 -0.51 0.00 0.00 35.03 34.14 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 -0.14 -2.01 -0.17 4.39 2.88 -1.25 -4.98 113.62 112.34 1a4j n SER 136 Ca 0.00 -2.95 0.29 0.00 -1.33 0.00 0.00 58.87 54.87 1a4j n SER 136 Cb 0.05 1.34 0.73 0.00 -0.75 0.00 0.00 64.21 65.57 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 2.39 0.51 -4.92 2.46 2.02 -1.38 -3.42 112.91 110.58 1a4j h THR 137 Ca -0.20 0.00 -0.39 0.00 0.77 0.00 0.00 66.41 66.59 1a4j h THR 137 Cb 1.22 0.54 0.08 0.00 -1.74 0.00 0.00 68.15 68.25 1a4j h THR 137 CO 0.02 0.00 0.14 -1.20 0.37 0.00 0.00 175.52 174.85 1a4j n SER 138 N -4.20 0.97 0.00 4.18 7.64 -1.26 -4.71 113.62 116.24 1a4j n SER 138 Ca 0.18 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.20 1a4j n SER 138 Cb 0.98 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1a4j n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4j n GLY 139 N -1.59 0.43 5.04 0.23 0.00 -1.26 -4.88 105.19 103.16 1a4j n GLY 139 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 1.81 3.65 -0.02 0.00 -1.26 -4.77 105.19 104.60 1a4j n GLY 140 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.41 0.35 2.61 2.01 -1.26 0.02 115.64 123.77 1a4j s THR 141 Ca 0.00 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.88 1a4j s THR 141 Cb 0.00 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 1a4j s THR 141 CO 0.00 0.55 0.43 0.00 -0.69 0.00 0.00 174.62 174.92 1a4j s ALA 142 N -0.39 4.17 0.00 7.40 0.00 0.22 -4.71 121.76 128.44 1a4j s ALA 142 Ca 0.08 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1a4j s ALA 142 Cb -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1a4j s ALA 142 CO 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 175.76 175.71 1a4j n ALA 143 N -1.59 0.00 -0.07 0.00 0.00 -1.26 -2.76 120.51 114.82 1a4j n ALA 143 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1a4j n ALA 143 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.93 0.00 0.00 0.00 -1.24 -3.99 117.00 109.83 1a4j n LEU 144 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 56.01 56.14 1a4j n LEU 144 Cb 0.00 0.83 0.00 0.00 0.00 0.00 0.00 43.42 44.25 1a4j n LEU 144 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 177.39 177.98 1a4j n GLY 145 N -0.58 -1.43 2.94 -3.96 0.00 -0.77 -1.21 105.19 100.18 1a4j n GLY 145 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.32 4.11 -0.48 0.00 2.96 0.91 -1.26 118.68 124.60 1a4j s LEU 147 Ca -0.01 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.97 1a4j s LEU 147 Cb -0.03 -1.91 0.12 0.00 0.50 0.00 0.00 46.19 44.87 1a4j s LEU 147 CO -0.00 -0.25 0.38 0.54 -1.32 0.00 0.00 176.35 175.69 1a4j s VAL 148 N 1.50 4.47 0.24 1.68 0.11 0.57 -1.31 120.40 127.66 1a4j s VAL 148 Ca 0.02 -1.67 0.12 0.00 -2.93 0.00 0.00 61.98 57.52 1a4j s VAL 148 Cb -0.18 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.72 1a4j s VAL 148 CO 0.04 -0.77 -0.22 -0.75 -3.33 0.00 0.00 175.10 170.07 1a4j s LYS 149 N 1.43 1.60 -0.96 1.54 2.20 -0.68 -1.17 119.74 123.70 1a4j s LYS 149 Ca 0.05 -1.66 -0.04 0.00 -0.36 0.00 0.00 55.97 53.95 1a4j s LYS 149 Cb -0.27 -1.79 -0.05 0.00 -1.51 0.00 0.00 37.83 34.22 1a4j s LYS 149 CO 0.01 0.36 0.86 -0.25 -0.36 0.00 0.00 175.35 175.96 1a4j n ASP 150 N -0.24 -6.96 -4.38 1.43 8.00 0.56 -1.07 116.55 113.88 1a4j n ASP 150 Ca -0.08 -0.54 -0.19 0.00 0.71 0.00 0.00 54.79 54.69 1a4j n ASP 150 Cb 0.58 -5.22 -0.10 0.00 -0.02 0.00 0.00 41.12 36.36 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 -3.28 1.76 -0.29 1.24 -0.85 -0.61 -4.27 117.35 111.06 1a4j s TYR 151 Ca 0.33 -0.73 -0.24 0.00 -0.52 0.00 0.00 57.07 55.91 1a4j s TYR 151 Cb -0.04 -0.97 0.14 0.00 0.38 0.00 0.00 41.96 41.46 1a4j s TYR 151 CO 0.74 0.21 1.10 0.12 -1.52 0.00 0.00 175.55 176.20 1a4j s PHE 152 N -3.12 -0.41 0.36 -3.49 2.19 -0.23 -0.68 117.98 112.60 1a4j s PHE 152 Ca 0.27 0.99 -0.02 0.00 0.33 0.00 0.00 56.93 58.50 1a4j s PHE 152 Cb 0.03 0.38 0.08 0.00 -1.31 0.00 0.00 43.02 42.20 1a4j s PHE 152 CO 0.09 -0.20 0.50 -0.35 1.83 0.00 0.00 175.22 177.09 1a4j n PRO 153 N 2.22 0.07 -1.51 10.12 -0.04 -1.26 0.12 135.00 144.72 1a4j n PRO 153 Ca -0.13 -1.18 -0.31 0.00 -0.04 0.00 0.00 63.50 61.85 1a4j n PRO 153 Cb 0.56 -0.39 0.06 0.00 -0.04 0.00 0.00 33.50 33.70 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 -3.81 2.71 0.46 0.54 0.41 -1.26 -4.81 118.70 112.95 1a4j s GLU 154 Ca 0.32 0.96 0.06 0.00 -0.41 0.00 0.00 54.97 55.90 1a4j s GLU 154 Cb -0.02 -1.96 0.06 0.00 -1.78 0.00 0.00 34.13 30.43 1a4j s GLU 154 CO 0.21 -1.26 0.53 -0.35 -0.49 0.00 0.00 175.26 173.90 1a4j n PRO 155 N -3.24 0.73 -4.18 0.39 -0.04 -1.26 -4.95 135.00 122.46 1a4j n PRO 155 Ca 0.08 -2.66 -0.16 0.00 -0.04 0.00 0.00 63.50 60.72 1a4j n PRO 155 Cb 0.54 -0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 1a4j n PRO 155 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a4j s VAL 156 N -2.06 0.74 -0.02 0.52 0.11 -1.26 -4.46 120.40 113.97 1a4j s VAL 156 Ca 0.40 -0.91 0.08 0.00 -2.93 0.00 0.00 61.98 58.62 1a4j s VAL 156 Cb -0.03 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 1a4j s VAL 156 CO 0.26 -0.15 -0.25 0.42 -3.33 0.00 0.00 175.10 172.04 1a4j s THR 157 N -0.96 2.02 -0.07 5.04 -4.23 -0.35 -4.97 115.64 112.11 1a4j s THR 157 Ca -0.03 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1a4j s THR 157 Cb -0.08 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.11 1a4j s THR 157 CO 0.01 0.57 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.89 1a4j s VAL 158 N -0.57 0.83 0.31 2.29 1.01 -1.26 -0.84 120.40 122.18 1a4j s VAL 158 Ca 0.09 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1a4j s VAL 158 Cb -0.10 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1a4j s VAL 158 CO -0.01 0.30 0.01 -0.94 0.00 0.00 0.00 175.10 174.47 1a4j s SER 159 N 1.08 2.63 -0.09 3.32 1.04 0.34 -4.94 113.70 117.09 1a4j s SER 159 Ca -0.08 -1.31 0.03 0.00 0.48 0.00 0.00 55.95 55.08 1a4j s SER 159 Cb -0.14 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1a4j s SER 159 CO -0.01 -0.50 -0.18 0.26 0.98 0.00 0.00 173.24 173.80 1a4j s TRP 160 N -3.15 2.01 -1.28 5.02 0.52 -1.26 0.81 118.94 121.62 1a4j s TRP 160 Ca 0.34 -0.81 -0.00 0.00 0.02 0.00 0.00 56.10 55.64 1a4j s TRP 160 Cb 0.07 -1.40 0.00 0.00 -1.15 0.00 0.00 33.47 31.00 1a4j s TRP 160 CO 0.14 -0.36 0.81 0.09 0.02 0.00 0.00 176.95 177.65 1a4j n ASN 161 N 3.72 -1.57 -1.66 2.95 5.03 0.27 -1.11 115.26 122.89 1a4j n ASN 161 Ca -0.21 -0.75 -0.13 0.00 0.87 0.00 0.00 54.58 54.36 1a4j n ASN 161 Cb 0.52 -4.43 -0.04 0.00 -1.02 0.00 0.00 39.78 34.81 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 -3.08 -3.71 0.00 6.41 7.64 -1.26 -1.42 113.62 118.20 1a4j n SER 162 Ca -0.29 0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a4j n SER 162 Cb 0.67 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.50 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 -0.40 0.65 0.24 0.23 0.00 -0.27 -4.95 105.19 100.70 1a4j n GLY 163 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 1.04 -3.01 4.61 0.00 -1.13 -3.41 119.26 117.36 1a4j h ALA 164 Ca 0.00 -0.13 -0.68 0.00 0.00 0.00 0.00 54.91 54.10 1a4j h ALA 164 Cb 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 17.51 1a4j h ALA 164 CO 0.00 0.17 -0.60 -1.17 0.00 0.00 0.00 179.25 177.65 1a4j s LEU 165 N -6.62 4.07 0.00 0.00 0.20 -1.01 -4.88 118.68 110.43 1a4j s LEU 165 Ca 0.00 -0.82 0.00 0.00 0.69 0.00 0.00 54.13 54.00 1a4j s LEU 165 Cb 0.10 -1.90 0.00 0.00 -0.43 0.00 0.00 46.19 43.96 1a4j s LEU 165 CO 0.60 -0.24 0.00 0.35 -0.29 0.00 0.00 176.35 176.77 1a4j n THR 166 N 4.88 0.00 -2.65 3.68 -2.24 -1.26 -4.12 114.28 112.57 1a4j n THR 166 Ca -0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1a4j n THR 166 Cb 0.47 0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.85 7.44 0.00 3.42 1.04 -1.26 -3.08 113.70 120.41 1a4j s SER 167 Ca 0.00 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1a4j s SER 167 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1a4j s SER 167 CO 0.00 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1a4j n GLY 168 N 1.94 2.79 3.73 7.32 0.00 -1.26 -4.70 105.19 115.02 1a4j n GLY 168 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.14 3.17 -0.21 1.61 1.01 -1.18 -3.14 120.40 119.53 1a4j s VAL 169 Ca 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 62.89 1a4j s VAL 169 Cb 0.00 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1a4j s VAL 169 CO 0.00 0.13 0.06 -1.00 0.00 0.00 0.00 175.10 174.29 1a4j s HIS 170 N 0.28 0.89 -0.35 5.22 3.76 0.23 -4.96 115.29 120.36 1a4j s HIS 170 Ca 0.58 -0.84 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 1a4j s HIS 170 Cb -0.37 -1.02 0.01 0.00 1.11 0.00 0.00 32.58 32.31 1a4j s HIS 170 CO 0.37 -0.63 0.19 0.99 -0.85 0.00 0.00 174.74 174.81 1a4j s THR 171 N 1.90 4.68 0.51 1.30 2.01 -1.26 -0.29 115.64 124.49 1a4j s THR 171 Ca 0.01 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 1a4j s THR 171 Cb -0.17 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1a4j s THR 171 CO -0.12 -0.11 1.00 -0.36 -0.69 0.00 0.00 174.62 174.34 1a4j s PHE 172 N 1.60 3.25 0.36 4.92 0.40 -0.51 -5.00 117.98 123.00 1a4j s PHE 172 Ca 0.03 1.53 -0.28 0.00 -0.60 0.00 0.00 56.93 57.61 1a4j s PHE 172 Cb -0.18 -2.89 -0.10 0.00 0.51 0.00 0.00 43.02 40.35 1a4j s PHE 172 CO 0.07 -0.53 1.35 -1.25 0.70 0.00 0.00 175.22 175.56 1a4j s PRO 173 N -3.72 4.20 0.99 0.24 0.04 -1.26 -4.63 135.00 130.86 1a4j s PRO 173 Ca 0.62 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.83 1a4j s PRO 173 Cb -0.12 -2.97 0.17 0.00 0.04 0.00 0.00 34.50 31.62 1a4j s PRO 173 CO 0.26 -0.35 0.98 0.00 0.04 0.00 0.00 177.00 177.93 1a4j n ALA 174 N 0.55 -1.67 -2.97 8.56 0.00 -1.26 -4.89 120.51 118.83 1a4j n ALA 174 Ca 0.01 -0.74 -0.20 0.00 0.00 0.00 0.00 53.44 52.51 1a4j n ALA 174 Cb 0.42 -2.07 -0.15 0.00 0.00 0.00 0.00 19.45 17.64 1a4j n ALA 174 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a4j s VAL 175 N -2.54 0.81 -0.17 0.00 1.01 -0.18 -4.96 120.40 114.37 1a4j s VAL 175 Ca 0.66 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 1a4j s VAL 175 Cb -0.23 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1a4j s VAL 175 CO 0.61 0.25 0.84 -0.22 0.00 0.00 0.00 175.10 176.58 1a4j s LEU 176 N 0.13 4.18 0.66 3.92 2.96 -1.26 -1.89 118.68 127.38 1a4j s LEU 176 Ca -0.02 1.19 -0.06 0.00 -0.22 0.00 0.00 54.13 55.02 1a4j s LEU 176 Cb -0.08 -3.25 0.04 0.00 0.50 0.00 0.00 46.19 43.41 1a4j s LEU 176 CO 0.00 -0.40 0.96 -1.10 -1.32 0.00 0.00 176.35 174.50 1a4j s GLN 177 N 2.13 2.42 0.56 1.98 -0.21 0.82 -4.94 119.66 122.43 1a4j s GLN 177 Ca 0.39 -0.23 0.26 0.00 0.02 0.00 0.00 55.36 55.79 1a4j s GLN 177 Cb -0.17 -2.22 1.62 0.00 1.00 0.00 0.00 33.01 33.24 1a4j s GLN 177 CO 0.13 -1.05 2.20 0.77 -2.12 0.00 0.00 175.29 175.21 1a4j h SER 178 N -0.43 0.00 0.93 5.90 0.02 -1.96 0.65 113.55 118.67 1a4j h SER 178 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1a4j h SER 178 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1a4j h SER 178 CO 0.60 0.03 0.00 -1.54 -1.14 0.00 0.00 176.83 174.78 1a4j n SER 179 N -3.98 0.46 0.00 3.07 3.41 -1.26 -4.86 113.62 110.45 1a4j n SER 179 Ca -0.03 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1a4j n SER 179 Cb 0.11 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 0.61 0.73 3.86 5.00 0.00 0.22 -4.97 105.19 110.63 1a4j n GLY 180 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 4.05 0.23 0.99 1.02 -1.26 -4.83 118.68 118.88 1a4j s LEU 181 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.19 1a4j s LEU 181 Cb 0.00 -2.66 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 1a4j s LEU 181 CO 0.00 0.10 0.41 -0.31 0.02 0.00 0.00 176.35 176.57 1a4j s TYR 182 N -1.65 3.48 0.01 0.29 2.02 0.14 -0.13 117.35 121.52 1a4j s TYR 182 Ca 0.32 0.30 -0.15 0.00 -0.37 0.00 0.00 57.07 57.17 1a4j s TYR 182 Cb -0.11 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1a4j s TYR 182 CO 0.25 0.35 0.33 0.45 -1.57 0.00 0.00 175.55 175.36 1a4j s SER 183 N -3.38 -0.20 0.10 2.29 0.15 -0.79 -0.33 113.70 111.55 1a4j s SER 183 Ca 0.38 0.02 -0.26 0.00 0.70 0.00 0.00 55.95 56.80 1a4j s SER 183 Cb -0.11 0.34 0.08 0.00 -1.71 0.00 0.00 66.02 64.62 1a4j s SER 183 CO 0.30 -0.52 0.82 -1.48 1.20 0.00 0.00 173.24 173.56 1a4j s LEU 184 N -1.59 -0.36 0.15 3.45 0.05 -0.31 -1.01 118.68 119.06 1a4j s LEU 184 Ca -0.10 -0.16 0.09 0.00 0.05 0.00 0.00 54.13 54.01 1a4j s LEU 184 Cb -0.03 2.27 -0.04 0.00 -2.05 0.00 0.00 46.19 46.34 1a4j s LEU 184 CO 0.02 -0.85 -0.20 -0.94 -0.55 0.00 0.00 176.35 173.83 1a4j s SER 185 N -2.70 2.81 -0.13 1.48 1.04 -1.26 -0.32 113.70 114.62 1a4j s SER 185 Ca 0.06 -0.82 -0.00 0.00 0.48 0.00 0.00 55.95 55.67 1a4j s SER 185 Cb -0.02 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 65.96 1a4j s SER 185 CO -0.06 0.02 -0.07 -0.55 0.98 0.00 0.00 173.24 173.57 1a4j s SER 186 N -2.47 2.37 0.32 7.02 0.15 -0.39 -1.43 113.70 119.28 1a4j s SER 186 Ca 0.14 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.48 1a4j s SER 186 Cb -0.07 -0.86 -0.05 0.00 -1.71 0.00 0.00 66.02 63.32 1a4j s SER 186 CO 0.07 -0.14 -0.01 0.68 1.20 0.00 0.00 173.24 175.03 1a4j s VAL 187 N 1.69 2.76 -0.13 4.45 -7.23 0.60 -0.43 120.40 122.11 1a4j s VAL 187 Ca 0.04 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.11 1a4j s VAL 187 Cb -0.13 -2.75 0.04 0.00 0.56 0.00 0.00 36.38 34.10 1a4j s VAL 187 CO -0.08 -0.25 0.32 -0.69 -0.31 0.00 0.00 175.10 174.08 1a4j s VAL 188 N -2.48 -0.02 -0.29 1.32 1.01 -0.35 0.78 120.40 120.36 1a4j s VAL 188 Ca 0.34 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 1a4j s VAL 188 Cb -0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1a4j s VAL 188 CO 0.19 0.03 0.19 0.42 0.00 0.00 0.00 175.10 175.93 1a4j s THR 189 N 0.84 5.17 0.38 3.92 -4.23 -1.19 -4.04 115.64 116.49 1a4j s THR 189 Ca -0.05 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 1a4j s THR 189 Cb -0.06 -3.51 -0.07 0.00 1.34 0.00 0.00 72.50 70.19 1a4j s THR 189 CO -0.06 0.19 0.01 0.68 -0.54 0.00 0.00 174.62 174.91 1a4j s VAL 190 N 1.73 1.79 -0.03 2.29 -7.23 -1.11 -4.73 120.40 113.10 1a4j s VAL 190 Ca 0.07 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 1a4j s VAL 190 Cb -0.16 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 1a4j s VAL 190 CO 0.10 -0.03 1.01 -2.16 -0.31 0.00 0.00 175.10 173.71 1a4j s PRO 191 N -3.75 4.50 0.48 4.82 0.04 -1.26 0.69 135.00 140.51 1a4j s PRO 191 Ca 0.35 1.45 0.27 0.00 0.04 0.00 0.00 61.00 63.10 1a4j s PRO 191 Cb 0.09 -3.48 1.32 0.00 0.04 0.00 0.00 34.50 32.47 1a4j s PRO 191 CO 0.17 -0.16 1.83 0.77 0.04 0.00 0.00 177.00 179.64 1a4j h SER 192 N 6.92 0.20 0.39 6.66 0.02 -0.69 0.46 113.55 127.51 1a4j h SER 192 Ca -0.38 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1a4j h SER 192 Cb 1.19 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1a4j h SER 192 CO 0.79 0.05 -0.03 0.77 -1.14 0.00 0.00 176.83 177.28 1a4j h SER 193 N 0.18 0.00 1.49 3.07 4.64 -1.86 -1.75 113.55 119.33 1a4j h SER 193 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1a4j h SER 193 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1a4j h SER 193 CO -0.12 0.03 -0.29 0.77 -0.87 0.00 0.00 176.83 176.34 1a4j h SER 194 N 0.00 0.00 -2.19 4.97 4.64 -0.45 -3.45 113.55 117.08 1a4j h SER 194 Ca -0.00 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.72 1a4j h SER 194 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1a4j h SER 194 CO 0.00 0.02 1.36 -0.76 -0.87 0.00 0.00 176.83 176.58 1a4j s LEU 195 N -5.30 3.93 0.00 5.97 1.43 -0.66 -0.40 118.68 123.65 1a4j s LEU 195 Ca 0.06 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1a4j s LEU 195 Cb 0.09 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1a4j s LEU 195 CO 0.68 -1.52 0.00 0.61 0.23 0.00 0.00 176.35 176.36 1a4j n GLY 196 N 5.16 2.58 0.41 -3.19 0.00 -1.26 -4.85 105.19 104.04 1a4j n GLY 196 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.76 0.97 -3.18 2.61 -2.24 -0.33 -4.93 114.28 106.43 1a4j n THR 197 Ca 0.00 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1a4j n THR 197 Cb 0.00 -1.67 -0.07 0.00 -2.10 0.00 0.00 70.33 66.49 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 -2.33 3.85 0.31 -0.78 2.00 0.46 -5.05 119.66 118.12 1a4j s GLN 198 Ca -0.25 0.15 -0.23 0.00 -2.00 0.00 0.00 55.36 53.03 1a4j s GLN 198 Cb 0.09 -3.74 -0.10 0.00 0.80 0.00 0.00 33.01 30.07 1a4j s GLN 198 CO 0.32 -0.55 0.89 -0.08 -0.50 0.00 0.00 175.29 175.36 1a4j s THR 199 N 2.49 4.33 -0.11 -0.34 -1.32 -1.26 -4.74 115.64 114.68 1a4j s THR 199 Ca 0.22 1.62 0.00 0.00 -1.21 0.00 0.00 61.69 62.33 1a4j s THR 199 Cb -0.15 -3.91 0.02 0.00 -1.51 0.00 0.00 72.50 66.96 1a4j s THR 199 CO 0.12 0.08 -0.10 -0.31 -2.21 0.00 0.00 174.62 172.20 1a4j s TYR 200 N -1.69 1.64 -0.07 9.09 2.02 -1.26 -4.97 117.35 122.11 1a4j s TYR 200 Ca 0.50 -0.81 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1a4j s TYR 200 Cb -0.17 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1a4j s TYR 200 CO 0.21 -0.51 -0.15 0.42 -1.57 0.00 0.00 175.55 173.96 1a4j s ILE 201 N 1.49 1.31 -0.09 2.71 1.01 -1.26 -0.29 121.20 126.08 1a4j s ILE 201 Ca 0.02 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 1a4j s ILE 201 Cb -0.13 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 1a4j s ILE 201 CO -0.07 0.39 0.35 0.00 0.00 0.00 0.00 174.94 175.61 1a4j s ASN 203 N -0.26 5.59 -0.15 0.00 0.01 0.24 -0.99 114.94 119.37 1a4j s ASN 203 Ca 0.21 -1.16 -0.01 0.00 -0.71 0.00 0.00 52.86 51.18 1a4j s ASN 203 Cb -0.15 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 1a4j s ASN 203 CO 0.08 -0.40 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.47 1a4j s VAL 204 N 1.48 3.17 -0.05 1.60 1.01 -0.06 -0.50 120.40 127.04 1a4j s VAL 204 Ca 0.01 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1a4j s VAL 204 Cb -0.20 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1a4j s VAL 204 CO 0.04 0.50 -0.13 0.21 0.00 0.00 0.00 175.10 175.72 1a4j s ASN 205 N 0.59 1.81 -0.32 3.32 2.47 -0.02 -0.60 114.94 122.19 1a4j s ASN 205 Ca -0.07 -0.30 0.03 0.00 0.42 0.00 0.00 52.86 52.94 1a4j s ASN 205 Cb -0.15 -0.69 0.10 0.00 -1.45 0.00 0.00 41.25 39.06 1a4j s ASN 205 CO 0.03 0.08 0.05 -2.28 -3.72 0.00 0.00 177.10 171.25 1a4j s HIS 206 N 0.40 3.22 0.15 0.43 5.65 0.18 -1.21 115.29 124.11 1a4j s HIS 206 Ca -0.10 -2.64 -0.13 0.00 0.25 0.00 0.00 55.06 52.45 1a4j s HIS 206 Cb -0.13 -2.55 0.03 0.00 -1.18 0.00 0.00 32.58 28.74 1a4j s HIS 206 CO 0.03 -0.92 1.63 -0.22 -0.65 0.00 0.00 174.74 174.61 1a4j h LYS 207 N 7.74 0.85 -0.94 2.88 3.64 -1.79 0.41 116.57 129.36 1a4j h LYS 207 Ca -0.07 -0.23 0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1a4j h LYS 207 Cb 1.02 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.65 1a4j h LYS 207 CO 0.50 0.85 0.55 -1.35 -2.27 0.00 0.00 179.45 177.72 1a4j h PRO 208 N 0.72 0.73 -0.01 1.90 0.11 -1.90 0.15 132.00 133.71 1a4j h PRO 208 Ca 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1a4j h PRO 208 Cb 0.42 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1a4j h PRO 208 CO 0.01 0.48 -0.36 -1.13 -0.21 0.00 0.00 178.00 176.79 1a4j n SER 209 N -4.78 1.26 -3.35 -2.05 3.41 -1.14 -4.94 113.62 102.04 1a4j n SER 209 Ca 0.20 -1.02 -0.19 0.00 -0.26 0.00 0.00 58.87 57.59 1a4j n SER 209 Cb 0.48 0.27 0.08 0.00 -0.26 0.00 0.00 64.21 64.77 1a4j n SER 209 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a4j n ASN 210 N -0.57 -4.13 -4.62 4.04 3.02 0.53 -4.88 115.26 108.66 1a4j n ASN 210 Ca 0.11 -0.54 -0.34 0.00 -0.03 0.00 0.00 54.58 53.77 1a4j n ASN 210 Cb 0.38 -4.80 -0.10 0.00 -0.61 0.00 0.00 39.78 34.65 1a4j n ASN 210 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1a4j s THR 211 N -3.32 4.24 -0.10 3.41 2.01 0.11 -4.97 115.64 117.02 1a4j s THR 211 Ca 0.28 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1a4j s THR 211 Cb -0.12 -2.82 0.04 0.00 0.01 0.00 0.00 72.50 69.61 1a4j s THR 211 CO 0.68 0.55 0.07 -0.75 -0.69 0.00 0.00 174.62 174.49 1a4j s LYS 212 N -0.37 0.01 -0.02 4.92 2.20 -1.26 0.47 119.74 125.69 1a4j s LYS 212 Ca 0.07 0.15 0.02 0.00 -0.36 0.00 0.00 55.97 55.85 1a4j s LYS 212 Cb -0.12 -1.16 0.01 0.00 -1.51 0.00 0.00 37.83 35.05 1a4j s LYS 212 CO 0.02 -0.49 -0.06 0.54 -0.36 0.00 0.00 175.35 175.00 1a4j s VAL 213 N 2.15 0.58 -0.20 4.02 0.11 0.23 -5.00 120.40 122.30 1a4j s VAL 213 Ca 0.04 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 58.81 1a4j s VAL 213 Cb -0.14 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1a4j s VAL 213 CO -0.06 0.20 -0.04 -1.81 -3.33 0.00 0.00 175.10 170.06 1a4j s ASP 214 N 0.32 4.46 -0.17 3.54 1.01 -1.26 -0.88 116.67 123.69 1a4j s ASP 214 Ca -0.04 -0.30 0.01 0.00 0.71 0.00 0.00 52.55 52.93 1a4j s ASP 214 Cb -0.08 -1.75 0.01 0.00 1.01 0.00 0.00 42.92 42.11 1a4j s ASP 214 CO 0.00 0.05 -0.19 -0.75 0.21 0.00 0.00 175.17 174.49 1a4j s LYS 215 N 1.07 3.04 0.06 8.23 2.36 -0.17 -4.91 119.74 129.43 1a4j s LYS 215 Ca 0.01 -0.82 -0.28 0.00 -2.55 0.00 0.00 55.97 52.34 1a4j s LYS 215 Cb -0.15 -2.57 -0.05 0.00 -1.05 0.00 0.00 37.83 34.01 1a4j s LYS 215 CO 0.00 -0.15 0.87 0.21 1.55 0.00 0.00 175.35 177.84 1a4j s LYS 216 N 1.16 4.59 0.00 4.03 2.36 -1.26 -0.49 119.74 130.13 1a4j s LYS 216 Ca 0.02 1.27 0.04 0.00 -2.55 0.00 0.00 55.97 54.74 1a4j s LYS 216 Cb -0.14 -3.39 0.03 0.00 -1.05 0.00 0.00 37.83 33.29 1a4j s LYS 216 CO -0.09 0.20 0.63 0.28 1.55 0.00 0.00 175.35 177.92