#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yej s ILE 2 N 0.00 4.19 -0.20 0.53 -1.09 -1.26 -5.02 121.20 118.35 1yej s ILE 2 Ca 0.00 1.75 -0.12 0.00 -2.23 0.00 0.00 60.65 60.04 1yej s ILE 2 Cb 0.00 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1yej s ILE 2 CO 0.00 0.23 0.23 -0.69 -1.23 0.00 0.00 174.94 173.48 1yej s VAL 3 N 0.28 5.33 -0.22 2.92 1.01 -1.26 -4.80 120.40 123.67 1yej s VAL 3 Ca 0.51 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.81 1yej s VAL 3 Cb -0.27 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1yej s VAL 3 CO 0.31 0.37 0.02 -0.04 0.00 0.00 0.00 175.10 175.76 1yej s MET 4 N 0.73 3.57 -0.22 2.72 -1.94 -1.26 -1.16 119.30 121.75 1yej s MET 4 Ca 0.12 -0.53 -0.04 0.00 -1.71 0.00 0.00 55.69 53.53 1yej s MET 4 Cb -0.13 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 1yej s MET 4 CO 0.03 -0.12 -0.04 0.99 -0.01 0.00 0.00 175.02 175.87 1yej s THR 5 N 1.37 3.44 0.01 2.05 2.01 0.15 -4.08 115.64 120.58 1yej s THR 5 Ca 0.05 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1yej s THR 5 Cb -0.15 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1yej s THR 5 CO 0.01 0.42 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.22 1yej s GLN 6 N 1.42 2.62 -0.10 4.92 -0.21 -1.26 -0.26 119.66 126.79 1yej s GLN 6 Ca 0.05 -0.69 -0.18 0.00 0.02 0.00 0.00 55.36 54.56 1yej s GLN 6 Cb -0.14 -2.55 0.04 0.00 1.00 0.00 0.00 33.01 31.35 1yej s GLN 6 CO -0.02 0.61 0.44 -1.54 -2.12 0.00 0.00 175.29 172.65 1yej s SER 7 N -1.50 -0.41 0.95 5.90 1.04 -0.73 -4.60 113.70 114.35 1yej s SER 7 Ca 0.18 0.62 -0.15 0.00 0.48 0.00 0.00 55.95 57.08 1yej s SER 7 Cb -0.11 0.67 0.17 0.00 0.10 0.00 0.00 66.02 66.85 1yej s SER 7 CO 0.09 -0.32 1.23 -2.16 0.98 0.00 0.00 173.24 173.06 1yej s PRO 8 N -0.48 0.80 0.13 4.02 0.04 -1.26 -1.15 135.00 137.10 1yej s PRO 8 Ca -0.06 -0.11 -0.02 0.00 0.04 0.00 0.00 61.00 60.85 1yej s PRO 8 Cb -0.03 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1yej s PRO 8 CO 0.03 -2.35 1.31 -0.07 0.04 0.00 0.00 177.00 175.95 1yej h LEU 9 N -1.60 0.40 -7.78 -3.56 3.38 -1.84 -3.42 115.31 100.89 1yej h LEU 9 Ca -0.46 -0.34 -0.18 0.00 0.09 0.00 0.00 57.88 56.99 1yej h LEU 9 Cb 1.28 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 41.67 1yej h LEU 9 CO 0.49 1.16 -0.62 -0.89 0.09 0.00 0.00 178.44 178.67 1yej s THR 10 N -3.14 0.05 -0.02 0.22 2.01 -1.26 -0.88 115.64 112.62 1yej s THR 10 Ca -0.04 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1yej s THR 10 Cb 0.09 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.39 1yej s THR 10 CO 0.85 -0.24 0.04 -1.48 -0.69 0.00 0.00 174.62 173.11 1yej s LEU 11 N -0.75 1.25 -0.24 4.42 0.05 -0.35 -4.93 118.68 118.13 1yej s LEU 11 Ca -0.08 0.08 -0.05 0.00 0.05 0.00 0.00 54.13 54.13 1yej s LEU 11 Cb -0.05 0.03 -0.01 0.00 -2.05 0.00 0.00 46.19 44.12 1yej s LEU 11 CO 0.00 -0.10 0.00 -0.55 -0.55 0.00 0.00 176.35 175.16 1yej s SER 12 N 0.79 4.63 0.05 1.48 0.15 -1.26 -0.09 113.70 119.45 1yej s SER 12 Ca -0.07 -0.44 0.06 0.00 0.70 0.00 0.00 55.95 56.21 1yej s SER 12 Cb -0.09 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1yej s SER 12 CO -0.03 -0.06 -0.17 -0.69 1.20 0.00 0.00 173.24 173.50 1yej s VAL 13 N 1.50 1.33 0.24 4.45 1.01 0.05 -4.75 120.40 124.24 1yej s VAL 13 Ca 0.05 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.69 1yej s VAL 13 Cb -0.15 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1yej s VAL 13 CO -0.01 0.03 0.72 0.42 0.00 0.00 0.00 175.10 176.25 1yej s THR 14 N -0.92 4.61 0.25 3.92 -4.23 -1.26 0.17 115.64 118.18 1yej s THR 14 Ca 0.03 1.19 -0.31 0.00 -1.18 0.00 0.00 61.69 61.43 1yej s THR 14 Cb -0.09 -3.80 -0.13 0.00 1.34 0.00 0.00 72.50 69.82 1yej s THR 14 CO 0.02 0.13 1.44 -0.38 -0.54 0.00 0.00 174.62 175.29 1yej n ILE 15 N 0.52 1.01 0.00 2.99 5.41 -1.26 -1.47 119.36 126.56 1yej n ILE 15 Ca -0.01 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1yej n ILE 15 Cb 0.51 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 1yej n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yej n GLY 16 N 2.10 1.92 3.96 7.39 0.00 0.84 -4.91 105.19 116.50 1yej n GLY 16 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1yej n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yej s GLN 17 N -0.89 3.34 0.52 1.61 -1.52 -0.54 -4.51 119.66 117.66 1yej s GLN 17 Ca 0.00 -0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 52.67 1yej s GLN 17 Cb 0.00 -2.77 -0.04 0.00 -0.22 0.00 0.00 33.01 29.98 1yej s GLN 17 CO 0.00 0.18 0.87 -1.25 -0.25 0.00 0.00 175.29 174.84 1yej s PRO 18 N -4.19 3.61 -0.03 2.91 0.04 -1.24 -0.19 135.00 135.91 1yej s PRO 18 Ca 0.40 0.45 -0.03 0.00 0.04 0.00 0.00 61.00 61.85 1yej s PRO 18 Cb -0.09 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.18 1yej s PRO 18 CO 0.33 -0.30 0.09 0.00 0.04 0.00 0.00 177.00 177.15 1yej s ALA 19 N -2.83 -0.22 -0.01 8.56 0.00 -0.30 -4.94 121.76 122.03 1yej s ALA 19 Ca 0.51 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1yej s ALA 19 Cb -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1yej s ALA 19 CO 0.45 -0.07 -0.00 -1.54 0.00 0.00 0.00 175.76 174.60 1yej s SER 20 N -0.20 0.14 -0.01 0.00 1.04 -1.26 -0.75 113.70 112.67 1yej s SER 20 Ca -0.03 -0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.47 1yej s SER 20 Cb -0.02 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1yej s SER 20 CO 0.00 -0.01 -0.24 -0.63 0.98 0.00 0.00 173.24 173.34 1yej s ILE 21 N 0.20 1.91 0.07 -1.02 1.01 0.28 -4.80 121.20 118.85 1yej s ILE 21 Ca -0.02 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 59.62 1yej s ILE 21 Cb -0.03 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1yej s ILE 21 CO -0.01 0.51 -0.02 -0.55 0.00 0.00 0.00 174.94 174.88 1yej s SER 22 N -0.64 4.92 -0.08 3.58 0.15 -0.30 -0.84 113.70 120.51 1yej s SER 22 Ca 0.09 -0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 1yej s SER 22 Cb -0.09 -1.16 0.04 0.00 -1.71 0.00 0.00 66.02 63.10 1yej s SER 22 CO -0.01 0.20 0.15 0.00 1.20 0.00 0.00 173.24 174.78 1yej s LYS 24 N 1.99 2.03 0.15 0.00 2.36 0.64 -0.94 119.74 125.97 1yej s LYS 24 Ca -0.00 -0.98 0.09 0.00 -2.55 0.00 0.00 55.97 52.53 1yej s LYS 24 Cb -0.12 -2.08 -0.04 0.00 -1.05 0.00 0.00 37.83 34.53 1yej s LYS 24 CO -0.06 0.55 -0.17 -1.54 1.55 0.00 0.00 175.35 175.68 1yej s SER 25 N -1.02 3.90 0.43 1.43 1.04 -0.38 0.30 113.70 119.40 1yej s SER 25 Ca 0.12 -0.63 0.29 0.00 0.48 0.00 0.00 55.95 56.21 1yej s SER 25 Cb -0.10 -0.53 1.11 0.00 0.10 0.00 0.00 66.02 66.60 1yej s SER 25 CO 0.02 0.14 1.85 0.77 0.98 0.00 0.00 173.24 177.00 1yej h SER 26 N 3.37 0.00 -4.96 7.02 4.64 -1.49 -3.45 113.55 118.68 1yej h SER 26 Ca -0.48 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.66 1yej h SER 26 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 1yej h SER 26 CO 0.49 0.00 -0.70 -1.58 -0.87 0.00 0.00 176.83 174.17 1yej s GLN 27 N -3.48 0.52 0.00 4.77 0.74 -1.26 -4.98 119.66 115.98 1yej s GLN 27 Ca 0.03 -0.94 0.00 0.00 0.05 0.00 0.00 55.36 54.51 1yej s GLN 27 Cb 0.09 0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.22 1yej s GLN 27 CO 0.52 -0.05 0.00 0.45 -0.55 0.00 0.00 175.29 175.66 1yej n SER 27 N 0.86 0.00 -1.85 6.67 2.88 -1.26 -4.69 113.62 116.23 1yej n SER 27 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1yej n SER 27 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1yej n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1yej n LEU 27 N 0.00 -5.50 -4.88 2.46 7.94 -1.26 -4.99 117.00 110.78 1yej n LEU 27 Ca 0.00 2.77 -0.30 0.00 -1.11 0.00 0.00 56.01 57.37 1yej n LEU 27 Cb 0.00 -2.84 0.04 0.00 0.53 0.00 0.00 43.42 41.15 1yej n LEU 27 CO 0.00 -1.54 0.74 -0.47 -1.11 0.00 0.00 177.39 175.01 1yej s TYR 27 N -0.44 3.36 0.45 1.96 5.04 0.73 -4.94 117.35 123.50 1yej s TYR 27 Ca 0.00 1.09 0.40 0.00 -2.44 0.00 0.00 57.07 56.13 1yej s TYR 27 Cb 0.00 -3.01 2.06 0.00 0.35 0.00 0.00 41.96 41.35 1yej s TYR 27 CO 0.00 -1.12 2.22 0.66 -1.34 0.00 0.00 175.55 175.97 1yej h SER 27 N -0.61 0.00 -0.19 4.32 4.64 -1.96 -0.12 113.55 119.63 1yej h SER 27 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1yej h SER 27 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1yej h SER 27 CO 0.63 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.13 1yej n ASN 28 N -3.03 1.68 0.00 4.97 6.94 -1.26 -4.92 115.26 119.63 1yej n ASN 28 Ca -0.02 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 1yej n ASN 28 Cb 0.14 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1yej n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yej n GLY 29 N 1.11 1.20 3.93 4.83 0.00 -0.06 -5.04 105.19 111.17 1yej n GLY 29 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1yej n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yej s LYS 30 N -0.31 3.51 -0.27 1.61 1.02 -1.26 -4.79 119.74 119.25 1yej s LYS 30 Ca 0.00 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1yej s LYS 30 Cb 0.00 -2.83 0.06 0.00 -0.52 0.00 0.00 37.83 34.54 1yej s LYS 30 CO 0.00 0.39 -0.08 0.99 -0.92 0.00 0.00 175.35 175.73 1yej s THR 31 N -1.91 2.07 -1.29 2.17 2.01 -1.26 -0.19 115.64 117.24 1yej s THR 31 Ca 0.38 -1.65 -0.12 0.00 0.31 0.00 0.00 61.69 60.61 1yej s THR 31 Cb -0.11 -2.24 0.14 0.00 0.01 0.00 0.00 72.50 70.30 1yej s THR 31 CO 0.30 -0.11 1.78 -1.22 -0.69 0.00 0.00 174.62 174.68 1yej n TYR 32 N 4.45 3.79 -4.66 4.92 4.01 -1.26 -3.88 117.16 124.53 1yej n TYR 32 Ca -0.12 -2.99 -0.33 0.00 -0.16 0.00 0.00 57.90 54.31 1yej n TYR 32 Cb 0.42 -2.17 -0.16 0.00 -0.31 0.00 0.00 39.34 37.13 1yej n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1yej s LEU 33 N 1.10 2.40 0.24 7.72 2.96 -1.26 -0.75 118.68 131.09 1yej s LEU 33 Ca 0.43 -0.49 0.11 0.00 -0.22 0.00 0.00 54.13 53.97 1yej s LEU 33 Cb 0.06 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 1yej s LEU 33 CO -0.00 0.10 -0.18 0.20 -1.32 0.00 0.00 176.35 175.15 1yej s ASN 34 N 0.70 3.73 -0.05 3.68 0.01 -0.23 -1.39 114.94 121.40 1yej s ASN 34 Ca -0.08 -0.89 0.03 0.00 -0.71 0.00 0.00 52.86 51.21 1yej s ASN 34 Cb -0.16 -0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.11 1yej s ASN 34 CO 0.01 0.06 -0.14 0.26 -1.51 0.00 0.00 177.10 175.78 1yej s TRP 35 N -2.17 1.53 0.17 2.20 0.52 -0.66 -0.91 118.94 119.63 1yej s TRP 35 Ca 0.27 -0.49 0.09 0.00 0.02 0.00 0.00 56.10 56.00 1yej s TRP 35 Cb -0.06 -1.07 -0.04 0.00 -1.15 0.00 0.00 33.47 31.14 1yej s TRP 35 CO 0.14 -0.21 -0.20 -0.51 0.02 0.00 0.00 176.95 176.19 1yej s LEU 36 N 0.30 2.43 -0.07 2.99 1.43 0.10 -0.59 118.68 125.28 1yej s LEU 36 Ca -0.08 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1yej s LEU 36 Cb -0.13 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1yej s LEU 36 CO 0.03 0.02 -0.19 -0.22 0.23 0.00 0.00 176.35 176.22 1yej s LEU 37 N -2.63 1.92 -0.30 1.79 2.96 0.34 -0.68 118.68 122.08 1yej s LEU 37 Ca 0.17 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1yej s LEU 37 Cb -0.07 -1.12 0.08 0.00 0.50 0.00 0.00 46.19 45.58 1yej s LEU 37 CO 0.08 0.14 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.64 1yej s GLN 38 N 0.23 1.94 0.53 1.98 0.74 0.66 -0.90 119.66 124.84 1yej s GLN 38 Ca -0.10 -1.57 -0.18 0.00 0.05 0.00 0.00 55.36 53.55 1yej s GLN 38 Cb -0.15 -3.06 -0.07 0.00 1.10 0.00 0.00 33.01 30.83 1yej s GLN 38 CO 0.05 -0.74 1.03 1.03 -0.55 0.00 0.00 175.29 176.11 1yej s ARG 39 N 1.03 3.66 -0.09 1.67 0.52 -1.26 -1.67 118.95 122.81 1yej s ARG 39 Ca -0.00 1.24 -0.37 0.00 -0.52 0.00 0.00 55.73 56.07 1yej s ARG 39 Cb -0.20 -2.08 -0.15 0.00 0.52 0.00 0.00 34.95 33.04 1yej s ARG 39 CO -0.06 -0.53 1.65 -2.30 0.02 0.00 0.00 175.30 174.08 1yej n PRO 40 N -1.42 1.47 -1.12 3.54 -0.02 -1.26 -1.08 135.00 135.11 1yej n PRO 40 Ca 0.09 0.54 -0.04 0.00 -2.02 0.00 0.00 63.50 62.06 1yej n PRO 40 Cb 0.53 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1yej n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yej n GLY 41 N 3.70 0.63 3.55 -1.23 0.00 -1.26 -5.01 105.19 105.57 1yej n GLY 41 Ca 0.22 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1yej n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yej s GLN 42 N -1.70 1.82 0.66 1.61 -1.52 -0.24 -5.14 119.66 115.15 1yej s GLN 42 Ca 0.00 -1.96 -0.11 0.00 -1.95 0.00 0.00 55.36 51.34 1yej s GLN 42 Cb 0.00 -1.60 -0.01 0.00 -0.22 0.00 0.00 33.01 31.18 1yej s GLN 42 CO 0.00 0.07 1.05 -1.12 -0.25 0.00 0.00 175.29 175.05 1yej s SER 43 N -3.61 5.81 0.81 5.90 0.01 -1.26 -4.56 113.70 116.79 1yej s SER 43 Ca 0.33 1.38 -0.11 0.00 1.31 0.00 0.00 55.95 58.87 1yej s SER 43 Cb 0.05 -2.33 0.08 0.00 0.21 0.00 0.00 66.02 64.03 1yej s SER 43 CO 0.16 -1.14 1.11 -2.84 0.41 0.00 0.00 173.24 170.95 1yej s PRO 44 N -5.20 1.93 -0.03 12.44 0.02 -1.26 -4.48 135.00 138.42 1yej s PRO 44 Ca 0.57 1.29 -0.02 0.00 0.02 0.00 0.00 61.00 62.86 1yej s PRO 44 Cb -0.12 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.57 1yej s PRO 44 CO 0.54 -1.91 0.08 0.21 -0.33 0.00 0.00 177.00 175.59 1yej s LYS 45 N -4.78 0.06 0.13 5.54 2.47 -0.08 -4.97 119.74 118.10 1yej s LYS 45 Ca 0.63 0.19 -0.30 0.00 -1.56 0.00 0.00 55.97 54.93 1yej s LYS 45 Cb -0.19 -0.08 -0.06 0.00 -1.46 0.00 0.00 37.83 36.04 1yej s LYS 45 CO 0.56 -0.09 0.99 0.50 0.16 0.00 0.00 175.35 177.47 1yej s ARG 46 N 0.56 4.68 -0.20 4.03 3.52 -1.26 -0.51 118.95 129.77 1yej s ARG 46 Ca -0.04 1.51 -0.04 0.00 -0.13 0.00 0.00 55.73 57.02 1yej s ARG 46 Cb -0.06 -3.36 -0.11 0.00 -1.56 0.00 0.00 34.95 29.86 1yej s ARG 46 CO -0.02 0.19 -0.22 1.28 -0.81 0.00 0.00 175.30 175.72 1yej n LEU 47 N 2.70 2.28 -4.03 -0.88 4.77 0.25 -4.79 117.00 117.29 1yej n LEU 47 Ca 0.02 0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 1yej n LEU 47 Cb 0.49 -0.65 -0.14 0.00 -2.33 0.00 0.00 43.42 40.79 1yej n LEU 47 CO 0.52 0.65 -0.42 -0.63 -1.33 0.00 0.00 177.39 176.17 1yej s ILE 48 N -2.39 0.66 0.14 -0.08 1.01 -1.11 -1.04 121.20 118.40 1yej s ILE 48 Ca -0.28 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1yej s ILE 48 Cb 0.09 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1yej s ILE 48 CO 0.41 0.02 -0.11 -1.38 0.00 0.00 0.00 174.94 173.88 1yej s HIS 49 N -0.54 1.26 -1.47 3.97 -3.43 0.18 -1.65 115.29 113.61 1yej s HIS 49 Ca -0.00 -0.72 -0.10 0.00 -0.80 0.00 0.00 55.06 53.44 1yej s HIS 49 Cb -0.05 -0.65 0.06 0.00 -1.43 0.00 0.00 32.58 30.51 1yej s HIS 49 CO 0.00 0.09 0.91 1.28 -2.00 0.00 0.00 174.74 175.02 1yej n LEU 50 N -0.02 -2.72 0.00 5.38 4.77 -1.12 -1.26 117.00 122.03 1yej n LEU 50 Ca -0.12 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1yej n LEU 50 Cb 0.60 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 1yej n LEU 50 CO 0.31 0.46 0.00 0.52 -1.33 0.00 0.00 177.39 177.35 1yej n VAL 51 N -4.59 0.00 -0.59 4.08 0.31 -0.49 -3.98 118.33 113.07 1yej n VAL 51 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1yej n VAL 51 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1yej n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1yej n SER 52 N 1.23 0.45 -4.65 4.52 3.41 -1.21 -3.57 113.62 113.80 1yej n SER 52 Ca 0.00 -1.04 -0.40 0.00 -0.26 0.00 0.00 58.87 57.18 1yej n SER 52 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1yej n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1yej s LYS 53 N -0.04 4.15 0.25 4.33 1.02 -0.39 -4.55 119.74 124.51 1yej s LYS 53 Ca 0.00 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 1yej s LYS 53 Cb 0.00 -3.60 -0.09 0.00 -0.52 0.00 0.00 37.83 33.62 1yej s LYS 53 CO 0.00 -0.24 1.09 -0.51 -0.92 0.00 0.00 175.35 174.77 1yej s LEU 54 N 1.93 4.55 0.56 3.17 1.02 -1.26 -0.65 118.68 128.00 1yej s LEU 54 Ca 0.24 2.20 -0.15 0.00 0.02 0.00 0.00 54.13 56.43 1yej s LEU 54 Cb -0.15 -3.62 -0.06 0.00 0.02 0.00 0.00 46.19 42.38 1yej s LEU 54 CO 0.09 -0.14 1.01 -1.81 0.02 0.00 0.00 176.35 175.53 1yej s ASP 55 N -0.71 6.30 0.29 2.29 1.11 -0.21 -4.90 116.67 120.85 1yej s ASP 55 Ca 0.45 1.60 -0.29 0.00 0.18 0.00 0.00 52.55 54.49 1yej s ASP 55 Cb -0.31 -2.51 -0.13 0.00 1.07 0.00 0.00 42.92 41.05 1yej s ASP 55 CO 0.39 -0.81 1.29 -1.20 1.18 0.00 0.00 175.17 176.01 1yej n SER 56 N -1.99 2.51 0.00 0.27 7.64 -1.26 -1.92 113.62 118.87 1yej n SER 56 Ca 0.07 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1yej n SER 56 Cb 0.54 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1yej n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yej n GLY 57 N 1.40 1.15 3.76 0.23 0.00 -1.26 -5.02 105.19 105.45 1yej n GLY 57 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1yej n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yej s VAL 58 N -3.85 5.15 0.32 1.61 1.01 -0.81 -5.04 120.40 118.79 1yej s VAL 58 Ca 0.00 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 1yej s VAL 58 Cb 0.00 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 1yej s VAL 58 CO 0.00 0.41 1.57 -2.65 0.00 0.00 0.00 175.10 174.44 1yej n PRO 59 N 3.10 2.73 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.38 1yej n PRO 59 Ca -0.10 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1yej n PRO 59 Cb 0.52 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1yej n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1yej n ASP 60 N 1.62 0.33 0.21 2.55 5.68 -1.26 -2.25 116.55 123.43 1yej n ASP 60 Ca 0.06 -1.61 0.10 0.00 -0.50 0.00 0.00 54.79 52.84 1yej n ASP 60 Cb 0.38 -0.16 0.37 0.00 -1.14 0.00 0.00 41.12 40.56 1yej n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1yej h ARG 61 N 0.08 0.00 -5.80 0.11 3.08 -1.93 -3.43 114.38 106.49 1yej h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1yej h ARG 61 Cb 0.16 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 1yej h ARG 61 CO 0.00 0.22 -0.17 0.42 -1.07 0.00 0.00 179.97 179.37 1yej s ILE 62 N -3.47 5.14 0.05 2.04 -1.09 -0.96 -0.71 121.20 122.20 1yej s ILE 62 Ca 0.02 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1yej s ILE 62 Cb 0.09 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1yej s ILE 62 CO 0.65 0.40 -0.05 0.42 -1.23 0.00 0.00 174.94 175.14 1yej s THR 63 N 0.13 0.35 0.08 2.92 -4.23 0.52 -4.99 115.64 110.41 1yej s THR 63 Ca 0.25 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.33 1yej s THR 63 Cb -0.15 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 1yej s THR 63 CO 0.11 -0.73 -0.12 -0.83 -0.54 0.00 0.00 174.62 172.50 1yej s GLY 64 N -2.32 0.83 0.34 3.99 0.00 -1.26 -0.67 107.32 108.23 1yej s GLY 64 Ca -0.01 -1.03 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 1yej s GLY 64 CO -0.05 -1.07 0.65 -1.35 0.00 0.00 0.00 173.10 171.29 1yej s SER 65 N -1.91 0.20 0.00 1.64 1.04 -0.41 -4.31 113.70 109.96 1yej s SER 65 Ca -0.01 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1yej s SER 65 Cb -0.08 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1yej s SER 65 CO 0.02 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.38 1yej n GLY 66 N -0.51 1.25 3.61 7.32 0.00 -1.26 -0.95 105.19 114.66 1yej n GLY 66 Ca -0.04 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.72 1yej n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yej s SER 67 N 0.00 -0.12 1.31 1.61 1.04 0.02 -4.95 113.70 112.61 1yej s SER 67 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1yej s SER 67 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1yej s SER 67 CO 0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1yej n GLY 68 N -0.29 1.37 0.15 7.32 0.00 -1.26 -1.66 105.19 110.82 1yej n GLY 68 Ca -0.04 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.15 1yej n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yej n THR 69 N 0.00 0.27 -4.15 2.61 -2.24 -1.26 -4.43 114.28 105.08 1yej n THR 69 Ca 0.00 -0.63 -0.30 0.00 -2.27 0.00 0.00 64.05 60.84 1yej n THR 69 Cb 0.00 0.92 -0.16 0.00 -2.10 0.00 0.00 70.33 68.98 1yej n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1yej s ASP 70 N -0.47 2.73 0.08 3.42 1.11 -0.66 -1.25 116.67 121.63 1yej s ASP 70 Ca 0.05 -0.51 0.03 0.00 0.18 0.00 0.00 52.55 52.30 1yej s ASP 70 Cb 0.03 -1.22 -0.03 0.00 1.07 0.00 0.00 42.92 42.76 1yej s ASP 70 CO 0.04 -0.03 -0.09 -0.36 1.18 0.00 0.00 175.17 175.92 1yej s PHE 71 N 1.34 0.90 -0.02 4.23 0.08 -0.11 -0.80 117.98 123.60 1yej s PHE 71 Ca 0.02 -0.64 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 1yej s PHE 71 Cb -0.13 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 41.81 1yej s PHE 71 CO -0.09 -0.05 0.04 0.99 -0.10 0.00 0.00 175.22 176.01 1yej s THR 72 N -2.21 0.00 -0.13 0.64 2.01 -0.12 -1.17 115.64 114.66 1yej s THR 72 Ca 0.01 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1yej s THR 72 Cb -0.04 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.38 1yej s THR 72 CO -0.01 -0.00 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.62 1yej s LEU 73 N 0.02 3.03 -0.04 4.42 2.96 -0.02 -1.28 118.68 127.77 1yej s LEU 73 Ca -0.00 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1yej s LEU 73 Cb -0.00 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 1yej s LEU 73 CO 0.00 0.20 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.54 1yej s LYS 74 N 0.14 1.67 -0.27 1.98 1.02 0.16 -0.56 119.74 123.88 1yej s LYS 74 Ca -0.04 -0.56 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 1yej s LYS 74 Cb -0.14 -1.46 0.02 0.00 -0.52 0.00 0.00 37.83 35.73 1yej s LYS 74 CO 0.04 0.21 0.00 0.42 -0.92 0.00 0.00 175.35 175.10 1yej s ILE 75 N 0.10 3.39 0.32 2.17 1.01 0.07 -0.36 121.20 127.90 1yej s ILE 75 Ca -0.05 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1yej s ILE 75 Cb -0.11 -2.73 0.10 0.00 0.01 0.00 0.00 42.46 39.73 1yej s ILE 75 CO 0.02 0.15 1.79 0.77 0.00 0.00 0.00 174.94 177.68 1yej h SER 76 N 8.11 0.41 -1.97 3.58 4.64 -1.20 -0.79 113.55 126.34 1yej h SER 76 Ca -0.32 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 1yej h SER 76 Cb 1.12 -0.11 -0.29 0.00 -0.31 0.00 0.00 62.40 62.81 1yej h SER 76 CO 0.59 0.61 -0.45 -0.60 -0.87 0.00 0.00 176.83 176.11 1yej s ARG 77 N -4.61 0.35 0.22 4.77 3.52 -1.26 -3.61 118.95 118.33 1yej s ARG 77 Ca -0.06 0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 55.88 1yej s ARG 77 Cb 0.14 -0.30 -0.09 0.00 -1.56 0.00 0.00 34.95 33.15 1yej s ARG 77 CO 0.77 -0.57 1.21 0.08 -0.81 0.00 0.00 175.30 175.98 1yej s VAL 78 N 2.57 3.39 0.21 7.11 1.01 0.73 -4.76 120.40 130.66 1yej s VAL 78 Ca 0.11 1.23 0.11 0.00 0.00 0.00 0.00 61.98 63.42 1yej s VAL 78 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1yej s VAL 78 CO -0.15 0.22 -0.21 -1.61 0.00 0.00 0.00 175.10 173.35 1yej s GLU 79 N -0.62 1.48 0.37 2.72 0.41 -1.26 -0.11 118.70 121.68 1yej s GLU 79 Ca 0.51 -1.55 0.16 0.00 -0.41 0.00 0.00 54.97 53.68 1yej s GLU 79 Cb -0.34 -1.65 1.06 0.00 -1.78 0.00 0.00 34.13 31.41 1yej s GLU 79 CO 0.40 0.34 1.73 0.00 -0.49 0.00 0.00 175.26 177.23 1yej h ALA 80 N 2.97 2.09 0.00 5.21 0.00 -1.97 -0.82 119.26 126.73 1yej h ALA 80 Ca -0.43 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1yej h ALA 80 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yej h ALA 80 CO 0.52 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1yej n ALA 81 N -2.39 1.49 1.19 0.00 0.00 -1.26 -2.56 120.51 116.99 1yej n ALA 81 Ca 0.28 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1yej n ALA 81 Cb 0.90 -1.15 0.58 0.00 0.00 0.00 0.00 19.45 19.78 1yej n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yej n ASP 82 N -1.42 0.22 -4.72 0.00 8.00 -0.31 -4.89 116.55 113.42 1yej n ASP 82 Ca 0.03 -0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.06 1yej n ASP 82 Cb 0.10 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1yej n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1yej n LEU 83 N -1.31 4.00 0.00 0.64 7.94 -1.06 -4.84 117.00 122.37 1yej n LEU 83 Ca 0.10 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 1yej n LEU 83 Cb 0.30 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.69 1yej n LEU 83 CO 0.27 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.27 1yej n GLY 84 N 3.30 -0.21 3.46 -3.96 0.00 -1.18 -4.51 105.19 102.10 1yej n GLY 84 Ca 0.14 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1yej n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yej s VAL 85 N -2.73 3.65 -0.15 1.61 1.01 -0.67 -0.79 120.40 122.34 1yej s VAL 85 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1yej s VAL 85 Cb 0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1yej s VAL 85 CO 0.00 0.50 0.08 -0.31 0.00 0.00 0.00 175.10 175.37 1yej s TYR 86 N 0.33 3.35 0.01 5.22 1.51 0.12 -0.24 117.35 127.64 1yej s TYR 86 Ca -0.06 0.26 0.05 0.00 -1.01 0.00 0.00 57.07 56.31 1yej s TYR 86 Cb -0.15 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 1yej s TYR 86 CO 0.04 0.40 -0.16 0.71 -1.11 0.00 0.00 175.55 175.43 1yej s TYR 87 N -0.29 1.38 -0.03 2.71 2.02 0.15 -1.04 117.35 122.25 1yej s TYR 87 Ca 0.09 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.48 1yej s TYR 87 Cb -0.12 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 1yej s TYR 87 CO 0.01 0.00 0.08 0.00 -1.57 0.00 0.00 175.55 174.08 1yej s VAL 89 N -1.13 -0.07 -0.07 0.00 0.11 -0.09 -0.57 120.40 118.59 1yej s VAL 89 Ca 0.20 0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 59.39 1yej s VAL 89 Cb -0.12 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1yej s VAL 89 CO 0.11 0.09 0.21 0.00 -3.33 0.00 0.00 175.10 172.18 1yej s GLN 90 N 1.25 3.55 -0.01 1.54 1.03 -0.45 -1.06 119.66 125.51 1yej s GLN 90 Ca -0.08 -0.04 0.02 0.00 0.04 0.00 0.00 55.36 55.30 1yej s GLN 90 Cb -0.12 -3.17 0.03 0.00 0.03 0.00 0.00 33.01 29.78 1yej s GLN 90 CO -0.05 0.73 0.96 0.41 -2.54 0.00 0.00 175.29 174.81 1yej n GLY 91 N 1.72 2.52 0.20 2.60 0.00 0.07 -2.78 105.19 109.52 1yej n GLY 91 Ca -0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 1yej n GLY 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yej h THR 92 N 0.39 1.34 -4.10 2.61 2.02 -1.95 -3.45 112.91 109.77 1yej h THR 92 Ca 0.00 -2.02 -0.69 0.00 0.77 0.00 0.00 66.41 64.47 1yej h THR 92 Cb 0.61 1.99 -0.24 0.00 -1.74 0.00 0.00 68.15 68.77 1yej h THR 92 CO 0.00 0.62 -0.81 -1.00 0.37 0.00 0.00 175.52 174.70 1yej s HIS 93 N -3.74 2.55 -0.09 3.16 3.76 -1.26 -4.95 115.29 114.71 1yej s HIS 93 Ca -0.07 -0.27 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 1yej s HIS 93 Cb 0.10 -1.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 1yej s HIS 93 CO 0.86 0.18 0.34 0.12 -0.85 0.00 0.00 174.74 175.39 1yej s PHE 94 N -0.82 3.58 0.45 1.40 5.36 -1.26 -3.40 117.98 123.30 1yej s PHE 94 Ca 0.13 0.78 -0.11 0.00 -0.96 0.00 0.00 56.93 56.77 1yej s PHE 94 Cb -0.10 -2.30 -0.06 0.00 -0.34 0.00 0.00 43.02 40.21 1yej s PHE 94 CO 0.03 0.44 0.83 -1.25 -1.46 0.00 0.00 175.22 173.81 1yej s PRO 95 N -0.26 3.76 0.33 10.12 0.04 -1.26 -4.92 135.00 142.81 1yej s PRO 95 Ca 0.20 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 1yej s PRO 95 Cb -0.15 -2.32 -0.11 0.00 0.04 0.00 0.00 34.50 31.97 1yej s PRO 95 CO 0.08 -0.15 1.54 0.71 0.04 0.00 0.00 177.00 179.22 1yej s TYR 96 N -2.54 2.67 0.02 0.56 2.02 -1.22 -4.71 117.35 114.16 1yej s TYR 96 Ca 0.52 0.98 0.03 0.00 -0.37 0.00 0.00 57.07 58.24 1yej s TYR 96 Cb -0.10 -4.04 -0.01 0.00 -0.40 0.00 0.00 41.96 37.40 1yej s TYR 96 CO 0.35 -3.27 -0.10 0.95 -1.57 0.00 0.00 175.55 171.91 1yej s THR 97 N -0.57 0.78 0.17 -0.71 -4.23 -1.12 -5.00 115.64 104.97 1yej s THR 97 Ca 0.58 -0.71 0.04 0.00 -1.18 0.00 0.00 61.69 60.42 1yej s THR 97 Cb -0.47 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1yej s THR 97 CO 0.56 0.02 0.22 -0.36 -0.54 0.00 0.00 174.62 174.51 1yej s PHE 98 N -0.64 3.30 0.83 3.99 0.40 -1.26 -1.34 117.98 123.27 1yej s PHE 98 Ca 0.00 0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.25 1yej s PHE 98 Cb -0.06 -1.56 0.13 0.00 0.51 0.00 0.00 43.02 42.03 1yej s PHE 98 CO 0.00 0.51 1.17 0.20 0.70 0.00 0.00 175.22 177.81 1yej s GLY 99 N -3.30 1.71 0.25 4.36 0.00 0.27 -4.46 107.32 106.15 1yej s GLY 99 Ca 0.33 -1.08 0.25 0.00 0.00 0.00 0.00 44.72 44.22 1yej s GLY 99 CO 0.26 -0.49 1.75 -1.33 0.00 0.00 0.00 173.10 173.29 1yej h GLY 100 N -1.11 0.00 0.00 0.20 0.00 -1.90 -3.44 103.07 96.82 1yej h GLY 100 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1yej h GLY 100 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 1yej n GLY 101 N 0.74 2.33 2.75 4.60 0.00 -1.26 -5.04 105.19 109.30 1yej n GLY 101 Ca 0.04 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1yej n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yej s THR 102 N -2.72 0.22 -0.18 2.61 2.01 -0.20 -4.72 115.64 112.65 1yej s THR 102 Ca 0.00 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 1yej s THR 102 Cb 0.00 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 1yej s THR 102 CO 0.00 0.23 0.59 -0.75 -0.69 0.00 0.00 174.62 173.99 1yej s LYS 103 N 1.93 4.23 -0.27 4.92 2.20 -0.06 -0.71 119.74 131.98 1yej s LYS 103 Ca 0.03 0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 56.08 1yej s LYS 103 Cb -0.12 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1yej s LYS 103 CO -0.04 -0.16 0.24 -1.17 -0.36 0.00 0.00 175.35 173.86 1yej s LEU 104 N 1.64 4.03 -0.07 5.43 2.96 0.03 -1.21 118.68 131.50 1yej s LEU 104 Ca 0.28 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1yej s LEU 104 Cb -0.16 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 1yej s LEU 104 CO 0.11 -0.08 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.25 1yej s GLU 105 N 1.79 2.69 -0.26 1.98 2.12 0.86 -3.08 118.70 124.81 1yej s GLU 105 Ca 0.09 -0.63 -0.26 0.00 0.36 0.00 0.00 54.97 54.53 1yej s GLU 105 Cb -0.16 -2.49 0.00 0.00 0.26 0.00 0.00 34.13 31.74 1yej s GLU 105 CO 0.10 0.60 0.89 0.42 -0.54 0.00 0.00 175.26 176.74 1yej s ILE 106 N -0.65 4.76 -0.16 -3.70 -1.09 -1.26 -0.77 121.20 118.33 1yej s ILE 106 Ca 0.10 1.61 -0.28 0.00 -2.23 0.00 0.00 60.65 59.85 1yej s ILE 106 Cb -0.11 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.56 1yej s ILE 106 CO 0.01 -0.18 0.94 -0.22 -1.23 0.00 0.00 174.94 174.26 1yej s LEU 107 N 3.03 4.19 0.00 2.97 2.96 0.13 -4.84 118.68 127.12 1yej s LEU 107 Ca 0.38 1.35 0.05 0.00 -0.22 0.00 0.00 54.13 55.68 1yej s LEU 107 Cb -0.15 -3.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1yej s LEU 107 CO 0.09 -0.47 0.17 -2.11 -1.32 0.00 0.00 176.35 172.71 1yej n ARG 108 N 5.35 0.55 -2.28 1.98 -4.01 -1.26 -4.34 116.66 112.65 1yej n ARG 108 Ca 0.07 -3.55 -0.36 0.00 -1.04 0.00 0.00 57.85 52.98 1yej n ARG 108 Cb 0.48 2.04 -0.00 0.00 -3.04 0.00 0.00 32.46 31.93 1yej n ARG 108 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1yej s ALA 109 N -3.17 2.81 0.44 2.89 0.00 -1.26 -4.95 121.76 118.52 1yej s ALA 109 Ca 0.24 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.81 1yej s ALA 109 Cb 0.01 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1yej s ALA 109 CO 0.17 -0.70 1.16 -0.25 0.00 0.00 0.00 175.76 176.14 1yej n ASP 110 N -0.96 1.97 -3.80 0.00 8.00 -1.26 -4.79 116.55 115.71 1yej n ASP 110 Ca 0.10 1.05 -0.20 0.00 0.71 0.00 0.00 54.79 56.45 1yej n ASP 110 Cb 0.50 -1.44 -0.17 0.00 -0.02 0.00 0.00 41.12 39.99 1yej n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yej s ALA 111 N -1.25 0.53 0.21 2.24 0.00 0.10 -4.89 121.76 118.70 1yej s ALA 111 Ca 0.63 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1yej s ALA 111 Cb -0.51 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 21.99 1yej s ALA 111 CO 0.56 -0.25 1.05 0.00 0.00 0.00 0.00 175.76 177.12 1yej s ALA 112 N 1.48 3.36 0.51 0.00 0.00 -1.26 -1.21 121.76 124.64 1yej s ALA 112 Ca -0.03 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 1yej s ALA 112 Cb -0.13 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 1yej s ALA 112 CO -0.03 -0.08 1.31 -2.14 0.00 0.00 0.00 175.76 174.82 1yej s PRO 113 N -0.79 3.37 -0.30 0.00 0.02 -1.26 -4.64 135.00 131.39 1yej s PRO 113 Ca 0.46 2.13 -0.08 0.00 0.02 0.00 0.00 61.00 63.53 1yej s PRO 113 Cb -0.29 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 31.89 1yej s PRO 113 CO 0.35 -0.97 0.12 0.99 -0.33 0.00 0.00 177.00 177.16 1yej s THR 114 N -1.35 4.28 -0.14 0.99 2.01 -0.31 -4.90 115.64 116.22 1yej s THR 114 Ca 0.68 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 1yej s THR 114 Cb -0.38 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1yej s THR 114 CO 0.45 0.06 0.01 -0.69 -0.69 0.00 0.00 174.62 173.77 1yej s VAL 115 N 1.55 4.36 -0.02 3.82 1.01 -1.26 -0.18 120.40 129.69 1yej s VAL 115 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1yej s VAL 115 Cb -0.17 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1yej s VAL 115 CO 0.04 0.53 -0.17 -0.44 0.00 0.00 0.00 175.10 175.06 1yej s SER 116 N -0.12 2.01 -0.03 3.32 0.01 0.17 -4.97 113.70 114.08 1yej s SER 116 Ca 0.05 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.06 1yej s SER 116 Cb -0.13 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 1yej s SER 116 CO 0.02 0.20 -0.22 -0.51 0.41 0.00 0.00 173.24 173.13 1yej s ILE 117 N -0.31 1.79 -0.08 1.44 2.07 -1.26 -0.87 121.20 123.97 1yej s ILE 117 Ca 0.05 -0.95 0.01 0.00 -1.41 0.00 0.00 60.65 58.35 1yej s ILE 117 Cb -0.07 -1.50 0.02 0.00 0.13 0.00 0.00 42.46 41.03 1yej s ILE 117 CO -0.00 0.51 -0.09 -0.36 -1.91 0.00 0.00 174.94 173.09 1yej s PHE 118 N -0.32 1.34 0.93 3.50 0.40 0.90 -4.99 117.98 119.74 1yej s PHE 118 Ca 0.03 -0.57 -0.13 0.00 -0.60 0.00 0.00 56.93 55.66 1yej s PHE 118 Cb -0.11 -1.08 0.15 0.00 0.51 0.00 0.00 43.02 42.50 1yej s PHE 118 CO 0.01 -0.37 1.16 -2.14 0.70 0.00 0.00 175.22 174.57 1yej s PRO 119 N 1.22 0.95 0.51 0.24 0.02 -1.26 -1.49 135.00 135.19 1yej s PRO 119 Ca -0.05 0.17 -0.23 0.00 0.02 0.00 0.00 61.00 60.92 1yej s PRO 119 Cb -0.14 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1yej s PRO 119 CO -0.02 -2.30 1.36 -2.14 -0.33 0.00 0.00 177.00 173.56 1yej s PRO 120 N -5.38 3.38 0.59 5.54 0.02 -1.16 -4.81 135.00 133.18 1yej s PRO 120 Ca 0.65 2.24 -0.15 0.00 0.02 0.00 0.00 61.00 63.77 1yej s PRO 120 Cb -0.13 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 1yej s PRO 120 CO 0.53 -1.00 1.04 -1.54 -0.33 0.00 0.00 177.00 175.70 1yej s SER 121 N -0.86 5.96 0.23 2.53 1.04 -1.26 -4.92 113.70 116.41 1yej s SER 121 Ca 0.67 1.69 -0.08 0.00 0.48 0.00 0.00 55.95 58.71 1yej s SER 121 Cb -0.40 -2.52 0.22 0.00 0.10 0.00 0.00 66.02 63.42 1yej s SER 121 CO 0.49 -1.05 1.89 0.28 0.98 0.00 0.00 173.24 175.83 1yej h SER 122 N 0.30 0.94 -0.40 7.02 0.02 -2.00 -2.35 113.55 117.08 1yej h SER 122 Ca -0.46 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 60.55 1yej h SER 122 Cb 1.21 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.45 1yej h SER 122 CO 0.59 0.67 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.57 1yej h GLU 123 N 1.11 0.05 -0.40 3.45 3.07 -1.99 -1.73 114.58 118.14 1yej h GLU 123 Ca 0.32 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 1yej h GLU 123 Cb -0.08 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1yej h GLU 123 CO -0.09 0.04 0.19 0.37 -1.40 0.00 0.00 179.01 178.12 1yej h GLN 124 N 0.06 0.58 -0.67 2.33 4.15 -1.75 -2.69 115.11 117.11 1yej h GLN 124 Ca 0.20 -0.09 0.06 0.00 0.77 0.00 0.00 58.65 59.59 1yej h GLN 124 Cb 0.29 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1yej h GLN 124 CO -0.37 0.51 0.44 -0.07 -1.93 0.00 0.00 178.83 177.41 1yej h LEU 125 N 0.51 0.60 -1.38 -2.39 3.38 -0.91 -0.32 115.31 114.81 1yej h LEU 125 Ca 0.14 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1yej h LEU 125 Cb 0.12 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1yej h LEU 125 CO -0.02 0.39 0.50 0.74 0.09 0.00 0.00 178.44 180.14 1yej h THR 126 N 0.69 0.96 -0.01 0.22 2.02 -0.99 0.54 112.91 116.34 1yej h THR 126 Ca 0.29 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1yej h THR 126 Cb 0.26 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1yej h THR 126 CO -0.09 0.13 0.00 -1.20 0.37 0.00 0.00 175.52 174.73 1yej n SER 127 N -4.50 0.45 0.00 4.18 7.64 -0.14 -4.89 113.62 116.36 1yej n SER 127 Ca 0.12 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1yej n SER 127 Cb 0.31 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1yej n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yej n GLY 128 N 1.03 0.62 3.49 0.23 0.00 0.18 -5.05 105.19 105.69 1yej n GLY 128 Ca 0.21 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1yej n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yej s GLY 129 N -2.19 1.97 -0.21 -0.02 0.00 -1.14 -1.68 107.32 104.05 1yej s GLY 129 Ca 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 44.72 42.74 1yej s GLY 129 CO 0.00 -1.99 0.32 0.00 0.00 0.00 0.00 173.10 171.43 1yej s ALA 130 N -2.54 -0.78 -0.09 3.20 0.00 -0.15 -3.03 121.76 118.37 1yej s ALA 130 Ca 0.31 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.10 1yej s ALA 130 Cb -0.03 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1yej s ALA 130 CO 0.15 -1.08 -0.17 -1.12 0.00 0.00 0.00 175.76 173.55 1yej s SER 131 N 2.47 3.73 -0.19 0.00 0.01 -1.26 -0.22 113.70 118.24 1yej s SER 131 Ca 0.07 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 1yej s SER 131 Cb -0.15 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.86 1yej s SER 131 CO -0.13 0.23 -0.05 -0.69 0.41 0.00 0.00 173.24 173.02 1yej s VAL 132 N -0.07 3.56 -0.06 3.43 1.01 0.39 -3.01 120.40 125.65 1yej s VAL 132 Ca -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1yej s VAL 132 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1yej s VAL 132 CO 0.04 0.45 -0.12 -0.69 0.00 0.00 0.00 175.10 174.78 1yej s VAL 133 N 0.96 3.24 -0.09 2.92 1.01 -0.55 -0.55 120.40 127.33 1yej s VAL 133 Ca -0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1yej s VAL 133 Cb -0.15 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.96 1yej s VAL 133 CO 0.01 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.60 1yej s PHE 135 N 1.30 3.14 -0.46 0.00 0.08 -0.05 -0.79 117.98 121.19 1yej s PHE 135 Ca -0.03 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1yej s PHE 135 Cb -0.14 -2.00 0.12 0.00 -0.57 0.00 0.00 43.02 40.43 1yej s PHE 135 CO -0.04 0.10 0.20 -0.51 -0.10 0.00 0.00 175.22 174.87 1yej s LEU 136 N 0.26 4.57 -0.02 -0.37 1.02 0.34 -0.66 118.68 123.82 1yej s LEU 136 Ca 0.00 -2.67 -0.08 0.00 0.02 0.00 0.00 54.13 51.41 1yej s LEU 136 Cb -0.13 -1.66 -0.05 0.00 0.02 0.00 0.00 46.19 44.37 1yej s LEU 136 CO 0.02 -0.30 0.26 0.20 0.02 0.00 0.00 176.35 176.55 1yej s ASN 137 N 0.27 6.52 -0.92 2.29 0.01 0.75 -0.93 114.94 122.94 1yej s ASN 137 Ca 0.15 0.61 -0.07 0.00 -0.71 0.00 0.00 52.86 52.83 1yej s ASN 137 Cb -0.23 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.31 1yej s ASN 137 CO -0.03 0.30 0.73 0.59 -1.51 0.00 0.00 177.10 177.18 1yej n ASN 138 N 1.44 -6.28 -4.50 -1.22 4.13 -0.65 -1.16 115.26 107.01 1yej n ASN 138 Ca -0.14 -0.63 -0.25 0.00 1.68 0.00 0.00 54.58 55.24 1yej n ASN 138 Cb 0.53 -3.92 -0.10 0.00 -1.54 0.00 0.00 39.78 34.75 1yej n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1yej s PHE 139 N -3.18 2.34 -0.28 3.10 -0.71 -0.30 -4.49 117.98 114.46 1yej s PHE 139 Ca 0.20 -0.41 -0.19 0.00 -1.04 0.00 0.00 56.93 55.50 1yej s PHE 139 Cb -0.06 -1.16 0.08 0.00 -1.21 0.00 0.00 43.02 40.66 1yej s PHE 139 CO 0.82 0.66 0.70 -0.47 -1.34 0.00 0.00 175.22 175.59 1yej s TYR 140 N -2.56 -0.97 1.13 3.49 5.04 -0.35 -1.15 117.35 121.99 1yej s TYR 140 Ca 0.31 2.06 -0.12 0.00 -2.44 0.00 0.00 57.07 56.88 1yej s TYR 140 Cb -0.02 0.52 0.27 0.00 0.35 0.00 0.00 41.96 43.08 1yej s TYR 140 CO 0.16 -0.48 1.04 -2.14 -1.34 0.00 0.00 175.55 172.79 1yej s PRO 141 N 1.24 -0.68 0.45 4.97 0.02 -1.26 0.01 135.00 139.74 1yej s PRO 141 Ca -0.07 0.97 0.24 0.00 0.02 0.00 0.00 61.00 62.15 1yej s PRO 141 Cb -0.05 -1.57 1.02 0.00 0.02 0.00 0.00 34.50 33.92 1yej s PRO 141 CO -0.13 -3.60 1.88 1.57 -0.33 0.00 0.00 177.00 176.38 1yej h LYS 142 N -2.54 0.00 -6.28 5.54 2.10 -1.98 -3.44 116.57 109.96 1yej h LYS 142 Ca -0.59 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.52 1yej h LYS 142 Cb 1.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1yej h LYS 142 CO 0.49 0.23 1.14 -0.51 -2.00 0.00 0.00 179.45 178.80 1yej s ASP 143 N -6.25 6.55 -0.06 7.07 1.01 -1.26 -4.98 116.67 118.74 1yej s ASP 143 Ca -0.01 2.29 -0.28 0.00 0.71 0.00 0.00 52.55 55.27 1yej s ASP 143 Cb 0.11 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.57 1yej s ASP 143 CO 0.63 -1.02 0.63 -0.51 0.21 0.00 0.00 175.17 175.11 1yej s ILE 144 N 4.39 0.01 -0.10 0.77 2.07 -1.26 -4.57 121.20 122.51 1yej s ILE 144 Ca 0.78 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.97 1yej s ILE 144 Cb -0.35 -0.94 0.02 0.00 0.13 0.00 0.00 42.46 41.31 1yej s ILE 144 CO 0.33 -0.04 -0.13 0.21 -1.91 0.00 0.00 174.94 173.41 1yej s ASN 145 N -1.08 2.17 -0.06 4.50 2.47 -0.59 -4.96 114.94 117.39 1yej s ASN 145 Ca -0.10 -0.36 0.06 0.00 0.42 0.00 0.00 52.86 52.87 1yej s ASN 145 Cb -0.01 -0.95 -0.01 0.00 -1.45 0.00 0.00 41.25 38.82 1yej s ASN 145 CO 0.08 -0.01 -0.23 0.68 -3.72 0.00 0.00 177.10 173.91 1yej s VAL 146 N 1.04 2.28 0.08 -5.21 -7.23 -1.26 0.14 120.40 110.24 1yej s VAL 146 Ca -0.07 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1yej s VAL 146 Cb -0.15 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1yej s VAL 146 CO -0.01 0.57 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.63 1yej s LYS 147 N -0.28 1.03 -0.02 4.82 -0.14 0.83 -4.96 119.74 121.02 1yej s LYS 147 Ca 0.00 -1.02 -0.01 0.00 -1.36 0.00 0.00 55.97 53.58 1yej s LYS 147 Cb -0.13 -1.16 -0.04 0.00 -1.68 0.00 0.00 37.83 34.82 1yej s LYS 147 CO 0.03 0.27 0.08 -1.58 -0.76 0.00 0.00 175.35 173.39 1yej s TRP 148 N -1.12 3.31 -0.03 3.18 0.52 -1.26 -0.57 118.94 122.97 1yej s TRP 148 Ca 0.03 0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.40 1yej s TRP 148 Cb -0.10 -1.76 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1yej s TRP 148 CO 0.03 0.56 -0.02 0.15 0.02 0.00 0.00 176.95 177.69 1yej s LYS 149 N -1.63 0.50 -0.20 4.98 1.02 0.40 -1.46 119.74 123.35 1yej s LYS 149 Ca 0.22 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.21 1yej s LYS 149 Cb -0.12 -0.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.60 1yej s LYS 149 CO 0.13 -0.10 -0.15 0.42 -0.92 0.00 0.00 175.35 174.73 1yej s ILE 150 N 0.92 2.39 -1.51 2.17 1.01 0.20 -0.39 121.20 125.99 1yej s ILE 150 Ca -0.10 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.46 1yej s ILE 150 Cb -0.14 -2.09 0.08 0.00 0.01 0.00 0.00 42.46 40.32 1yej s ILE 150 CO -0.01 0.41 0.93 0.47 0.00 0.00 0.00 174.94 176.74 1yej n ASP 151 N 4.63 -4.16 0.00 3.58 8.00 -0.69 -1.59 116.55 126.32 1yej n ASP 151 Ca -0.19 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1yej n ASP 151 Cb 0.49 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.77 1yej n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yej n GLY 152 N -1.67 2.48 3.64 0.44 0.00 -1.26 -5.02 105.19 103.79 1yej n GLY 152 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1yej n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yej s SER 153 N -3.50 4.94 0.25 1.61 1.04 -0.62 -5.06 113.70 112.36 1yej s SER 153 Ca 0.00 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.16 1yej s SER 153 Cb 0.00 -1.30 -0.09 0.00 0.10 0.00 0.00 66.02 64.73 1yej s SER 153 CO 0.00 0.34 1.26 -0.70 0.98 0.00 0.00 173.24 175.12 1yej s GLU 154 N -1.06 4.44 -0.23 4.02 2.12 -1.26 -0.63 118.70 126.09 1yej s GLU 154 Ca 0.15 2.03 -0.02 0.00 0.36 0.00 0.00 54.97 57.49 1yej s GLU 154 Cb -0.11 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.13 1yej s GLU 154 CO 0.04 -0.13 -0.08 0.50 -0.54 0.00 0.00 175.26 175.06 1yej s ARG 155 N -0.80 2.96 -0.02 4.30 6.06 -0.53 -4.89 118.95 126.03 1yej s ARG 155 Ca 0.52 -0.89 0.15 0.00 -2.50 0.00 0.00 55.73 53.01 1yej s ARG 155 Cb -0.36 -2.94 -0.23 0.00 0.06 0.00 0.00 34.95 31.48 1yej s ARG 155 CO 0.42 -0.33 0.33 1.04 -2.50 0.00 0.00 175.30 174.26 1yej n GLN 156 N 4.69 0.46 -3.48 5.12 6.02 -1.26 -4.23 117.38 124.71 1yej n GLN 156 Ca -0.17 -0.14 -0.37 0.00 -0.01 0.00 0.00 57.00 56.31 1yej n GLN 156 Cb 0.48 -1.36 -0.06 0.00 1.02 0.00 0.00 30.24 30.32 1yej n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1yej s ASN 157 N -3.72 6.65 0.00 1.08 4.22 -1.26 -4.28 114.94 117.62 1yej s ASN 157 Ca -0.05 0.77 0.00 0.00 -2.14 0.00 0.00 52.86 51.44 1yej s ASN 157 Cb 0.10 -2.23 0.00 0.00 1.28 0.00 0.00 41.25 40.39 1yej s ASN 157 CO 0.63 0.17 0.00 0.61 -2.04 0.00 0.00 177.10 176.47 1yej n GLY 158 N 2.68 0.88 3.65 0.45 0.00 -1.26 -4.85 105.19 106.73 1yej n GLY 158 Ca -0.12 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1yej n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yej s VAL 159 N -2.00 4.67 -0.17 1.61 1.01 -1.26 -1.16 120.40 123.09 1yej s VAL 159 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1yej s VAL 159 Cb 0.00 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1yej s VAL 159 CO 0.00 0.50 -0.08 -0.22 0.00 0.00 0.00 175.10 175.30 1yej s LEU 160 N 0.05 1.85 0.05 3.92 0.20 0.28 -4.97 118.68 120.06 1yej s LEU 160 Ca 0.05 -0.72 0.03 0.00 0.69 0.00 0.00 54.13 54.17 1yej s LEU 160 Cb -0.12 -1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 1yej s LEU 160 CO 0.01 -0.16 0.02 0.20 -0.29 0.00 0.00 176.35 176.13 1yej s ASN 161 N 1.54 5.21 -0.12 3.68 0.01 -1.26 -0.80 114.94 123.19 1yej s ASN 161 Ca 0.00 -0.06 -0.10 0.00 -0.71 0.00 0.00 52.86 51.99 1yej s ASN 161 Cb -0.15 -1.34 0.03 0.00 0.41 0.00 0.00 41.25 40.20 1yej s ASN 161 CO -0.08 0.22 0.31 -0.55 -1.51 0.00 0.00 177.10 175.49 1yej s SER 162 N -2.01 -0.33 0.13 -1.22 0.15 -0.40 -5.01 113.70 105.01 1yej s SER 162 Ca 0.24 0.63 0.10 0.00 0.70 0.00 0.00 55.95 57.62 1yej s SER 162 Cb -0.12 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1yej s SER 162 CO 0.16 -0.12 -0.24 0.26 1.20 0.00 0.00 173.24 174.50 1yej s TRP 163 N 0.34 2.12 0.52 3.44 0.51 -1.26 -0.54 118.94 124.07 1yej s TRP 163 Ca -0.01 -0.39 -0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1yej s TRP 163 Cb -0.03 -1.13 0.02 0.00 -0.81 0.00 0.00 33.47 31.51 1yej s TRP 163 CO -0.01 0.31 0.76 0.95 -0.51 0.00 0.00 176.95 178.45 1yej s THR 164 N -1.20 3.31 0.85 2.01 -4.23 -0.22 -5.00 115.64 111.16 1yej s THR 164 Ca 0.12 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 1yej s THR 164 Cb -0.10 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.62 1yej s THR 164 CO 0.06 -0.19 1.20 -0.62 -0.54 0.00 0.00 174.62 174.52 1yej s ASP 165 N -4.33 3.97 0.14 3.99 -1.08 -1.26 -4.55 116.67 113.55 1yej s ASP 165 Ca 0.53 0.43 -0.31 0.00 -0.52 0.00 0.00 52.55 52.68 1yej s ASP 165 Cb -0.10 -0.75 -0.10 0.00 -1.46 0.00 0.00 42.92 40.51 1yej s ASP 165 CO 0.39 -2.20 1.61 -1.58 0.52 0.00 0.00 175.17 173.92 1yej s GLN 166 N -5.62 4.20 0.08 4.34 0.74 -1.26 -4.73 119.66 117.41 1yej s GLN 166 Ca 0.67 2.38 -0.31 0.00 0.05 0.00 0.00 55.36 58.16 1yej s GLN 166 Cb -0.08 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.69 1yej s GLN 166 CO 0.50 -0.66 1.34 0.34 -0.55 0.00 0.00 175.29 176.26 1yej s ASP 167 N 1.54 6.90 0.40 6.67 2.15 -0.21 -4.93 116.67 129.19 1yej s ASP 167 Ca 0.72 2.20 0.16 0.00 0.43 0.00 0.00 52.55 56.06 1yej s ASP 167 Cb -0.43 -2.58 0.86 0.00 -0.30 0.00 0.00 42.92 40.47 1yej s ASP 167 CO 0.32 -0.62 1.87 0.77 -0.17 0.00 0.00 175.17 177.33 1yej h SER 168 N 7.01 0.00 -0.08 -0.34 4.64 -1.92 0.58 113.55 123.45 1yej h SER 168 Ca -0.41 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 1yej h SER 168 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1yej h SER 168 CO 0.86 0.32 -0.30 0.11 -0.87 0.00 0.00 176.83 176.94 1yej h LYS 169 N 0.00 0.34 0.00 4.77 1.79 -1.98 -3.40 116.57 118.09 1yej h LYS 169 Ca -0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1yej h LYS 169 Cb 0.62 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1yej h LYS 169 CO 0.04 0.90 0.00 -0.40 -1.08 0.00 0.00 179.45 178.91 1yej n ASP 170 N -4.44 0.87 -1.45 0.86 5.68 -1.21 -5.02 116.55 111.84 1yej n ASP 170 Ca -0.08 -1.19 -0.16 0.00 -0.50 0.00 0.00 54.79 52.86 1yej n ASP 170 Cb 0.49 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 1yej n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1yej n SER 171 N -0.10 -4.92 -4.95 -1.12 7.64 0.20 -5.00 113.62 105.38 1yej n SER 171 Ca 0.00 0.26 -0.20 0.00 1.01 0.00 0.00 58.87 59.94 1yej n SER 171 Cb 0.15 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 1yej n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1yej s THR 172 N -2.67 2.53 0.26 0.44 -4.23 -1.25 -4.70 115.64 106.01 1yej s THR 172 Ca 0.00 -1.19 0.11 0.00 -1.18 0.00 0.00 61.69 59.42 1yej s THR 172 Cb 0.00 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1yej s THR 172 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.66 1yej s TYR 173 N -2.51 2.48 0.04 3.99 2.02 -0.30 -1.04 117.35 122.03 1yej s TYR 173 Ca 0.51 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 1yej s TYR 173 Cb -0.06 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1yej s TYR 173 CO 0.31 0.66 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.76 1yej s SER 174 N -3.49 0.63 0.02 2.29 0.01 -1.26 -1.15 113.70 110.75 1yej s SER 174 Ca 0.30 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 1yej s SER 174 Cb -0.06 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1yej s SER 174 CO 0.17 -0.27 0.03 -0.32 0.41 0.00 0.00 173.24 173.26 1yej s MET 175 N -1.76 0.42 -0.03 12.44 1.75 -0.10 -1.06 119.30 130.95 1yej s MET 175 Ca -0.10 -0.62 0.04 0.00 -1.25 0.00 0.00 55.69 53.75 1yej s MET 175 Cb -0.08 0.16 -0.00 0.00 2.84 0.00 0.00 34.83 37.74 1yej s MET 175 CO -0.01 -0.09 -0.14 0.45 -0.65 0.00 0.00 175.02 174.59 1yej s SER 176 N -1.64 1.73 -0.09 1.11 0.15 0.30 -0.50 113.70 114.75 1yej s SER 176 Ca -0.12 -0.28 -0.00 0.00 0.70 0.00 0.00 55.95 56.25 1yej s SER 176 Cb -0.07 -0.44 0.02 0.00 -1.71 0.00 0.00 66.02 63.83 1yej s SER 176 CO -0.01 0.12 -0.06 -0.55 1.20 0.00 0.00 173.24 173.94 1yej s SER 177 N 0.05 1.85 -0.15 5.45 0.15 0.03 -1.28 113.70 119.79 1yej s SER 177 Ca -0.02 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1yej s SER 177 Cb -0.10 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 1yej s SER 177 CO 0.01 -0.11 -0.18 -0.89 1.20 0.00 0.00 173.24 173.27 1yej s THR 178 N 1.56 2.43 -0.23 6.45 2.01 0.02 -0.76 115.64 127.13 1yej s THR 178 Ca 0.01 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 1yej s THR 178 Cb -0.13 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1yej s THR 178 CO -0.05 0.53 0.05 -0.22 -0.69 0.00 0.00 174.62 174.24 1yej s LEU 179 N 0.86 3.46 -0.10 4.42 2.96 0.28 -0.55 118.68 130.02 1yej s LEU 179 Ca -0.05 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1yej s LEU 179 Cb -0.15 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1yej s LEU 179 CO -0.02 0.02 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.01 1yej s THR 180 N 1.26 3.07 0.34 3.68 2.01 -0.31 -0.46 115.64 125.23 1yej s THR 180 Ca 0.04 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.42 1yej s THR 180 Cb -0.15 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 1yej s THR 180 CO 0.03 0.55 0.22 -0.76 -0.69 0.00 0.00 174.62 173.98 1yej s LEU 181 N -0.11 1.77 0.51 4.42 1.43 0.69 -4.73 118.68 122.66 1yej s LEU 181 Ca -0.01 -1.71 -0.08 0.00 -1.03 0.00 0.00 54.13 51.30 1yej s LEU 181 Cb -0.14 0.35 -0.04 0.00 0.03 0.00 0.00 46.19 46.39 1yej s LEU 181 CO 0.03 -1.01 0.86 0.42 0.23 0.00 0.00 176.35 176.89 1yej s THR 182 N -3.43 4.83 0.22 5.49 -4.23 -1.26 -0.97 115.64 116.27 1yej s THR 182 Ca 0.36 0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1yej s THR 182 Cb 0.03 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 70.19 1yej s THR 182 CO 0.23 -0.90 1.83 0.50 -0.54 0.00 0.00 174.62 175.74 1yej h LYS 183 N 0.20 1.14 -0.23 3.99 3.64 -1.54 -1.87 116.57 121.89 1yej h LYS 183 Ca -0.46 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1yej h LYS 183 Cb 1.20 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1yej h LYS 183 CO 0.62 0.84 0.14 -0.44 -2.27 0.00 0.00 179.45 178.34 1yej h ASP 184 N 1.13 0.23 -0.27 4.20 3.32 -1.93 -1.87 116.42 121.22 1yej h ASP 184 Ca 0.29 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 1yej h ASP 184 Cb 0.04 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1yej h ASP 184 CO -0.05 0.17 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.29 1yej h GLU 185 N 0.28 0.77 -0.78 3.56 4.81 -1.92 -2.90 114.58 118.40 1yej h GLU 185 Ca 0.09 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1yej h GLU 185 Cb -0.01 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1yej h GLU 185 CO -0.04 0.96 0.48 -0.92 -0.73 0.00 0.00 179.01 178.76 1yej h TYR 186 N 0.66 0.88 0.00 0.92 3.20 -1.11 -1.60 116.97 119.92 1yej h TYR 186 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1yej h TYR 186 Cb 0.80 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1yej h TYR 186 CO 0.04 0.45 0.00 0.39 -1.64 0.00 0.00 178.16 177.41 1yej n GLU 187 N -4.67 0.83 -0.02 1.82 1.02 -0.72 -3.02 120.64 115.88 1yej n GLU 187 Ca 0.10 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.34 1yej n GLU 187 Cb 0.16 -1.30 -0.17 0.00 -0.02 0.00 0.00 31.44 30.10 1yej n GLU 187 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1yej n ARG 188 N -0.80 0.66 -3.60 3.49 0.63 -0.60 -4.99 116.66 111.44 1yej n ARG 188 Ca 0.12 -0.19 -0.20 0.00 -0.92 0.00 0.00 57.85 56.66 1yej n ARG 188 Cb 0.06 -1.51 -0.02 0.00 0.45 0.00 0.00 32.46 31.43 1yej n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1yej s HIS 189 N -3.44 2.91 -0.10 -0.14 3.76 -1.17 -5.08 115.29 112.03 1yej s HIS 189 Ca -0.08 -0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 54.38 1yej s HIS 189 Cb 0.13 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.80 1yej s HIS 189 CO 0.90 0.02 -0.24 0.09 -0.85 0.00 0.00 174.74 174.66 1yej n ASN 190 N -1.52 1.63 -4.71 1.40 3.02 -1.26 -4.77 115.26 109.05 1yej n ASN 190 Ca 0.01 0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.47 1yej n ASN 190 Cb 0.60 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1yej n ASN 190 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1yej s SER 191 N -6.04 5.87 -0.20 6.41 0.01 -1.26 -0.84 113.70 117.66 1yej s SER 191 Ca -0.20 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.27 1yej s SER 191 Cb 0.04 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.34 1yej s SER 191 CO 0.30 0.24 -0.16 -0.31 0.41 0.00 0.00 173.24 173.72 1yej s TYR 192 N -0.03 2.80 -0.06 2.43 1.51 -0.47 -1.70 117.35 121.83 1yej s TYR 192 Ca 0.07 -1.77 0.05 0.00 -1.01 0.00 0.00 57.07 54.42 1yej s TYR 192 Cb -0.12 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1yej s TYR 192 CO 0.01 -0.81 -0.23 0.99 -1.11 0.00 0.00 175.55 174.40 1yej s THR 193 N 1.27 1.93 -0.28 -0.71 2.01 0.48 -2.38 115.64 117.97 1yej s THR 193 Ca 0.01 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 60.94 1yej s THR 193 Cb -0.15 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1yej s THR 193 CO -0.10 0.54 0.12 0.00 -0.69 0.00 0.00 174.62 174.48 1yej s GLU 195 N 1.63 2.61 0.07 0.00 2.12 0.26 -1.62 118.70 123.78 1yej s GLU 195 Ca 0.06 -0.70 0.06 0.00 0.36 0.00 0.00 54.97 54.75 1yej s GLU 195 Cb -0.16 -2.18 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 1yej s GLU 195 CO 0.06 -0.07 -0.11 0.00 -0.54 0.00 0.00 175.26 174.60 1yej s ALA 196 N 0.99 2.90 -0.19 6.30 0.00 0.12 -0.12 121.76 131.76 1yej s ALA 196 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1yej s ALA 196 Cb -0.15 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1yej s ALA 196 CO -0.03 0.62 -0.17 0.99 0.00 0.00 0.00 175.76 177.17 1yej s THR 197 N -1.13 2.28 0.03 0.00 2.01 0.12 -0.15 115.64 118.81 1yej s THR 197 Ca 0.19 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.19 1yej s THR 197 Cb -0.11 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 1yej s THR 197 CO 0.11 0.46 0.11 -2.28 -0.69 0.00 0.00 174.62 172.34 1yej s HIS 198 N 1.30 0.16 0.43 4.92 2.46 -1.26 -1.54 115.29 121.77 1yej s HIS 198 Ca 0.04 -0.43 0.20 0.00 0.47 0.00 0.00 55.06 55.33 1yej s HIS 198 Cb -0.14 -0.12 1.15 0.00 -0.13 0.00 0.00 32.58 33.34 1yej s HIS 198 CO -0.11 -0.36 1.84 -0.22 -2.47 0.00 0.00 174.74 173.42 1yej h LYS 199 N 3.71 0.34 0.00 2.88 3.64 -1.94 -2.15 116.57 123.05 1yej h LYS 199 Ca -0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1yej h LYS 199 Cb 1.19 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1yej h LYS 199 CO 0.49 0.22 0.00 0.25 -2.27 0.00 0.00 179.45 178.14 1yej n THR 200 N -4.50 0.00 -3.68 1.00 -2.24 -1.26 -4.76 114.28 98.85 1yej n THR 200 Ca 0.21 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.85 1yej n THR 200 Cb 0.78 -0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 1yej n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yej s SER 201 N -1.60 -0.56 0.34 3.42 0.15 -0.81 -4.99 113.70 109.65 1yej s SER 201 Ca 0.09 1.03 0.25 0.00 0.70 0.00 0.00 55.95 58.01 1yej s SER 201 Cb 0.04 1.04 0.64 0.00 -1.71 0.00 0.00 66.02 66.03 1yej s SER 201 CO 0.07 -0.24 1.71 0.71 1.20 0.00 0.00 173.24 176.69 1yej h THR 202 N 4.14 0.00 -2.93 6.45 1.35 -1.85 -3.43 112.91 116.63 1yej h THR 202 Ca -0.28 -0.71 -0.57 0.00 -0.55 0.00 0.00 66.41 64.30 1yej h THR 202 Cb 1.17 1.69 -0.17 0.00 -1.73 0.00 0.00 68.15 69.12 1yej h THR 202 CO 0.19 0.00 -0.78 -0.94 -0.25 0.00 0.00 175.52 173.74 1yej s SER 203 N -5.36 3.12 0.51 5.36 1.04 -1.26 -5.11 113.70 111.99 1yej s SER 203 Ca 0.08 -0.93 -0.23 0.00 0.48 0.00 0.00 55.95 55.35 1yej s SER 203 Cb 0.09 -0.22 -0.06 0.00 0.10 0.00 0.00 66.02 65.93 1yej s SER 203 CO 0.62 0.01 1.37 -2.16 0.98 0.00 0.00 173.24 174.06 1yej s PRO 204 N -3.05 3.37 -0.19 4.02 0.04 -1.26 -4.84 135.00 133.09 1yej s PRO 204 Ca 0.22 2.26 -0.22 0.00 0.04 0.00 0.00 61.00 63.30 1yej s PRO 204 Cb -0.06 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1yej s PRO 204 CO 0.10 -1.02 0.70 0.42 0.04 0.00 0.00 177.00 177.24 1yej s ILE 205 N -1.28 4.97 0.03 0.56 1.01 0.79 -4.89 121.20 122.39 1yej s ILE 205 Ca 0.67 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.74 1yej s ILE 205 Cb -0.41 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1yej s ILE 205 CO 0.50 0.08 -0.21 -0.69 0.00 0.00 0.00 174.94 174.62 1yej s VAL 206 N 1.98 2.54 -0.11 2.92 1.01 -1.26 0.11 120.40 127.58 1yej s VAL 206 Ca 0.32 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1yej s VAL 206 Cb -0.16 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.26 1yej s VAL 206 CO 0.11 0.40 0.24 -0.75 0.00 0.00 0.00 175.10 175.11 1yej s LYS 207 N -1.21 0.16 0.27 2.72 2.20 -0.64 -5.02 119.74 118.23 1yej s LYS 207 Ca 0.13 0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 56.29 1yej s LYS 207 Cb -0.10 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.12 1yej s LYS 207 CO 0.03 -0.24 0.44 -1.54 -0.36 0.00 0.00 175.35 173.68 1yej s SER 208 N 1.92 0.25 0.06 1.43 1.04 -1.26 -1.01 113.70 116.12 1yej s SER 208 Ca -0.03 -1.17 -0.14 0.00 0.48 0.00 0.00 55.95 55.10 1yej s SER 208 Cb -0.11 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1yej s SER 208 CO -0.08 -1.17 0.31 0.72 0.98 0.00 0.00 173.24 174.00 1yej s PHE 209 N -3.69 -0.10 -0.09 5.02 -0.12 -1.00 -5.01 117.98 112.98 1yej s PHE 209 Ca 0.27 -0.09 0.04 0.00 -0.05 0.00 0.00 56.93 57.09 1yej s PHE 209 Cb 0.00 0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 1yej s PHE 209 CO 0.13 -0.54 -0.22 -0.80 -0.05 0.00 0.00 175.22 173.74 1yej s ASN 210 N -2.25 3.30 -0.00 1.98 -0.87 -1.26 -1.37 114.94 114.46 1yej s ASN 210 Ca -0.03 -0.49 -0.02 0.00 -1.57 0.00 0.00 52.86 50.75 1yej s ASN 210 Cb 0.00 -1.30 -0.04 0.00 -0.02 0.00 0.00 41.25 39.89 1yej s ASN 210 CO -0.05 0.19 0.16 0.00 -2.57 0.00 0.00 177.10 174.83 1yej s ARG 211 N 0.19 3.36 0.00 -0.60 1.70 -0.02 -5.00 118.95 118.59 1yej s ARG 211 Ca -0.13 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.77 1yej s ARG 211 Cb -0.16 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.17 1yej s ARG 211 CO 0.07 0.67 0.00 0.09 -1.08 0.00 0.00 175.30 175.04 1yej n ASN 212 N 0.95 2.91 -3.90 -2.89 4.13 -1.26 -4.76 115.26 110.44 1yej n ASN 212 Ca -0.11 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.01 1yej n ASN 212 Cb 0.52 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.62 1yej n ASN 212 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1yej s GLU 213 N 4.63 0.17 0.00 3.52 0.41 -1.26 -5.23 118.70 120.94 1yej s GLU 213 Ca 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.50 1yej s GLU 213 Cb 0.00 -0.18 0.00 0.00 -1.78 0.00 0.00 34.13 32.17 1yej s GLU 213 CO 0.00 0.03 0.00 0.00 -0.49 0.00 0.00 175.26 174.80