#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eea n SER 2 N 0.00 -2.72 -4.90 1.61 2.88 -1.26 -4.94 113.62 104.29 2eea n SER 2 Ca 0.00 -0.99 -0.33 0.00 -1.33 0.00 0.00 58.87 56.22 2eea n SER 2 Cb 0.00 -2.93 -0.05 0.00 -0.75 0.00 0.00 64.21 60.48 2eea n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eea s SER 3 N -3.56 6.39 0.00 -3.46 1.04 -1.26 -4.99 113.70 107.87 2eea s SER 3 Ca 0.55 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.36 2eea s SER 3 Cb -0.30 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2eea s SER 3 CO 0.91 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.97 2eea n GLY 4 N 0.82 2.60 3.66 7.32 0.00 -1.26 -5.03 105.19 113.30 2eea n GLY 4 Ca -0.09 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 2eea n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eea s SER 5 N 0.00 6.82 0.24 1.61 1.04 -1.26 -4.90 113.70 117.25 2eea s SER 5 Ca 0.00 1.95 -0.10 0.00 0.48 0.00 0.00 55.95 58.28 2eea s SER 5 Cb 0.00 -2.54 0.36 0.00 0.10 0.00 0.00 66.02 63.94 2eea s SER 5 CO 0.00 -0.83 1.60 0.28 0.98 0.00 0.00 173.24 175.27 2eea h SER 6 N 8.77 -0.68 0.00 7.02 0.02 -2.00 -3.45 113.55 123.23 2eea h SER 6 Ca -0.33 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2eea h SER 6 Cb 1.14 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.15 2eea h SER 6 CO 0.96 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 2eea n GLY 7 N -1.50 0.69 3.68 -3.77 0.00 -1.26 -5.11 105.19 97.92 2eea n GLY 7 Ca 0.12 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2eea n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eea s PRO 8 N 0.00 4.26 -0.01 1.61 0.04 -1.26 -5.00 135.00 134.64 2eea s PRO 8 Ca 0.00 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 2eea s PRO 8 Cb 0.00 -3.62 0.08 0.00 0.04 0.00 0.00 34.50 31.00 2eea s PRO 8 CO 0.00 -0.63 0.71 -2.00 0.04 0.00 0.00 177.00 175.12 2eea s GLU 9 N 2.63 1.05 -0.03 4.56 2.12 -1.26 -5.17 118.70 122.60 2eea s GLU 9 Ca 0.66 0.05 0.04 0.00 0.36 0.00 0.00 54.97 56.07 2eea s GLU 9 Cb -0.32 0.49 -0.00 0.00 0.26 0.00 0.00 34.13 34.55 2eea s GLU 9 CO 0.27 -0.37 -0.14 -1.54 -0.54 0.00 0.00 175.26 172.94 2eea s SER 10 N -1.61 1.75 0.20 -1.70 1.04 -1.26 -5.13 113.70 106.99 2eea s SER 10 Ca -0.06 -0.28 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 2eea s SER 10 Cb -0.00 -0.37 -0.09 0.00 0.10 0.00 0.00 66.02 65.66 2eea s SER 10 CO 0.03 0.14 1.30 -2.16 0.98 0.00 0.00 173.24 173.53 2eea s PRO 11 N -0.07 4.39 0.22 4.02 0.04 -1.26 -5.04 135.00 137.30 2eea s PRO 11 Ca 0.00 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.18 2eea s PRO 11 Cb -0.08 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 2eea s PRO 11 CO 0.01 -0.25 -0.18 -0.48 0.04 0.00 0.00 177.00 176.14 2eea s LEU 12 N -0.13 2.53 0.00 -3.56 2.34 -1.26 -5.16 118.68 113.45 2eea s LEU 12 Ca 0.56 -0.98 -0.00 0.00 0.06 0.00 0.00 54.13 53.77 2eea s LEU 12 Cb -0.36 -0.88 0.00 0.00 -0.56 0.00 0.00 46.19 44.39 2eea s LEU 12 CO 0.38 -0.05 0.36 0.00 -1.06 0.00 0.00 176.35 175.98 2eea n GLN 13 N -0.27 0.52 -3.30 1.48 10.64 -1.26 -5.12 117.38 120.07 2eea n GLN 13 Ca -0.08 -2.25 -0.45 0.00 -1.83 0.00 0.00 57.00 52.38 2eea n GLN 13 Cb 0.59 2.12 -0.06 0.00 -0.86 0.00 0.00 30.24 32.04 2eea n GLN 13 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 2eea s PHE 14 N -3.32 3.21 -0.06 2.61 -0.71 -1.26 -5.05 117.98 113.40 2eea s PHE 14 Ca 0.24 -1.09 -0.30 0.00 -1.04 0.00 0.00 56.93 54.74 2eea s PHE 14 Cb -0.00 -3.61 -0.02 0.00 -1.21 0.00 0.00 43.02 38.18 2eea s PHE 14 CO 0.17 -0.98 0.99 -0.47 -1.34 0.00 0.00 175.22 173.59 2eea s TYR 15 N 1.79 3.58 -0.02 3.49 5.04 -1.26 -5.04 117.35 124.94 2eea s TYR 15 Ca 0.05 1.63 0.02 0.00 -2.44 0.00 0.00 57.07 56.33 2eea s TYR 15 Cb -0.27 -3.15 0.01 0.00 0.35 0.00 0.00 41.96 38.90 2eea s TYR 15 CO 0.05 -0.12 -0.05 0.14 -1.34 0.00 0.00 175.55 174.23 2eea s VAL 16 N 1.51 0.47 -0.18 3.14 -7.23 -1.26 -5.15 120.40 111.71 2eea s VAL 16 Ca 0.50 -0.19 -0.27 0.00 -1.81 0.00 0.00 61.98 60.21 2eea s VAL 16 Cb -0.20 -0.44 0.07 0.00 0.56 0.00 0.00 36.38 36.38 2eea s VAL 16 CO 0.23 0.16 0.69 0.20 -0.31 0.00 0.00 175.10 176.07 2eea s ASN 17 N 0.26 -0.70 -0.05 4.85 -0.87 -1.26 -5.17 114.94 112.00 2eea s ASN 17 Ca -0.03 1.13 -0.04 0.00 -1.57 0.00 0.00 52.86 52.36 2eea s ASN 17 Cb -0.07 1.08 0.02 0.00 -0.02 0.00 0.00 41.25 42.26 2eea s ASN 17 CO -0.00 -0.39 0.13 -0.72 -2.57 0.00 0.00 177.10 173.54 2eea s TYR 18 N -0.26 -0.14 0.23 2.20 -0.85 -1.26 -5.03 117.35 112.24 2eea s TYR 18 Ca -0.04 0.37 0.23 0.00 -0.52 0.00 0.00 57.07 57.11 2eea s TYR 18 Cb -0.03 -0.01 0.97 0.00 0.38 0.00 0.00 41.96 43.27 2eea s TYR 18 CO 0.05 -0.10 1.86 -1.00 -1.52 0.00 0.00 175.55 174.84 2eea h PRO 19 N 6.46 0.00 0.00 -3.49 0.13 -2.09 -3.46 132.00 129.56 2eea h PRO 19 Ca -0.32 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.45 2eea h PRO 19 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2eea h PRO 19 CO 0.43 0.25 -0.35 0.09 -0.23 0.00 0.00 178.00 178.19 2eea n ASN 20 N -3.53 -0.39 -0.11 1.44 4.13 -1.26 -5.10 115.26 110.44 2eea n ASN 20 Ca -0.01 -2.64 -0.20 0.00 1.68 0.00 0.00 54.58 53.41 2eea n ASN 20 Cb 0.40 1.21 -0.07 0.00 -1.54 0.00 0.00 39.78 39.79 2eea n ASN 20 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2eea n SER 21 N -1.98 1.93 0.00 6.41 2.88 -1.26 -5.12 113.62 116.48 2eea n SER 21 Ca 0.05 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2eea n SER 21 Cb 0.45 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2eea n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eea n GLY 22 N 1.37 3.94 3.61 0.46 0.00 -1.26 -5.18 105.19 108.14 2eea n GLY 22 Ca -0.35 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 2eea n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eea s SER 23 N 0.00 0.42 -0.10 1.61 1.04 -1.26 -5.04 113.70 110.38 2eea s SER 23 Ca 0.00 -1.25 -0.29 0.00 0.48 0.00 0.00 55.95 54.89 2eea s SER 23 Cb 0.00 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 2eea s SER 23 CO 0.00 -1.38 0.98 -0.69 0.98 0.00 0.00 173.24 173.13 2eea s VAL 24 N -3.07 4.81 0.25 5.02 1.01 -1.26 -4.59 120.40 122.57 2eea s VAL 24 Ca 0.24 2.00 0.10 0.00 0.00 0.00 0.00 61.98 64.32 2eea s VAL 24 Cb -0.02 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2eea s VAL 24 CO 0.15 0.03 -0.11 -0.55 0.00 0.00 0.00 175.10 174.63 2eea s SER 25 N 1.08 4.07 -0.10 3.32 0.15 0.68 -4.56 113.70 118.35 2eea s SER 25 Ca 0.48 -0.79 0.02 0.00 0.70 0.00 0.00 55.95 56.35 2eea s SER 25 Cb -0.18 -0.58 0.01 0.00 -1.71 0.00 0.00 66.02 63.56 2eea s SER 25 CO 0.19 0.04 -0.14 0.00 1.20 0.00 0.00 173.24 174.53 2eea s ALA 26 N -2.26 1.56 0.06 5.45 0.00 -1.26 -1.50 121.76 123.80 2eea s ALA 26 Ca 0.29 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 2eea s ALA 26 Cb -0.06 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.32 2eea s ALA 26 CO 0.17 -0.06 0.45 1.52 0.00 0.00 0.00 175.76 177.84 2eea s TYR 27 N 0.97 -0.32 0.00 0.00 1.13 -0.53 -5.03 117.35 113.57 2eea s TYR 27 Ca -0.08 0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.86 2eea s TYR 27 Cb -0.15 0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.98 2eea s TYR 27 CO -0.01 -0.62 0.00 0.41 -2.51 0.00 0.00 175.55 172.83 2eea n GLY 28 N 0.38 3.43 0.00 5.49 0.00 -1.26 -1.04 105.19 112.18 2eea n GLY 28 Ca -0.18 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.46 2eea n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 29 N -1.73 0.32 0.00 1.61 -0.04 -1.26 -2.16 135.00 131.74 2eea n PRO 29 Ca 0.00 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2eea n PRO 29 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2eea n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eea n GLY 30 N -0.02 -1.05 0.12 0.55 0.00 -1.19 -3.91 105.19 99.69 2eea n GLY 30 Ca 0.09 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 2eea n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eea n LEU 31 N -1.72 1.92 -0.31 0.99 4.77 -0.92 -4.46 117.00 117.27 2eea n LEU 31 Ca 0.02 0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 56.36 2eea n LEU 31 Cb 0.39 -0.87 0.10 0.00 -2.33 0.00 0.00 43.42 40.71 2eea n LEU 31 CO 0.43 0.42 1.22 0.58 -1.33 0.00 0.00 177.39 178.70 2eea h VAL 32 N -1.00 1.16 -2.67 4.08 2.07 -1.77 -3.21 116.25 114.91 2eea h VAL 32 Ca -0.54 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 66.72 2eea h VAL 32 Cb 1.46 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2eea h VAL 32 CO -0.33 0.20 0.38 -0.72 0.02 0.00 0.00 177.57 177.12 2eea s TYR 33 N -6.11 -0.10 0.00 1.57 -0.85 -1.25 -1.90 117.35 108.71 2eea s TYR 33 Ca -0.13 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 2eea s TYR 33 Cb 0.17 0.70 0.00 0.00 0.38 0.00 0.00 41.96 43.21 2eea s TYR 33 CO 0.79 -1.08 0.00 0.41 -1.52 0.00 0.00 175.55 174.16 2eea n GLY 34 N -0.50 2.43 2.83 5.49 0.00 -1.09 -3.87 105.19 110.48 2eea n GLY 34 Ca -0.05 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 2eea n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eea s VAL 35 N -2.98 -0.03 0.33 1.61 1.01 -1.26 -1.65 120.40 117.43 2eea s VAL 35 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 2eea s VAL 35 Cb 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 36.38 36.20 2eea s VAL 35 CO 0.00 0.05 1.54 0.00 0.00 0.00 0.00 175.10 176.69 2eea n ALA 36 N 3.66 2.41 -3.50 5.51 0.00 -0.47 -2.10 120.51 126.01 2eea n ALA 36 Ca -0.20 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 2eea n ALA 36 Cb 0.55 -2.43 0.05 0.00 0.00 0.00 0.00 19.45 17.61 2eea n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2eea n ASN 37 N 1.43 -5.71 -3.74 0.00 5.03 -0.95 -4.83 115.26 106.49 2eea n ASN 37 Ca 0.06 -0.52 -0.14 0.00 0.87 0.00 0.00 54.58 54.84 2eea n ASN 37 Cb 0.37 -4.56 -0.15 0.00 -1.02 0.00 0.00 39.78 34.43 2eea n ASN 37 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2eea s LYS 38 N -6.20 0.06 0.01 3.52 -0.14 -0.89 -5.00 119.74 111.10 2eea s LYS 38 Ca 0.52 0.38 -0.33 0.00 -1.36 0.00 0.00 55.97 55.18 2eea s LYS 38 Cb -0.24 -0.21 -0.11 0.00 -1.68 0.00 0.00 37.83 35.59 2eea s LYS 38 CO 0.64 -0.19 1.84 0.25 -0.76 0.00 0.00 175.35 177.13 2eea n THR 39 N 4.41 0.49 -3.96 2.17 -2.24 -1.26 -4.39 114.28 109.50 2eea n THR 39 Ca -0.23 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 2eea n THR 39 Cb 0.51 -1.94 -0.15 0.00 -2.10 0.00 0.00 70.33 66.65 2eea n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2eea s ALA 40 N 3.43 2.32 0.14 6.98 0.00 -0.91 -4.98 121.76 128.74 2eea s ALA 40 Ca 0.88 -1.88 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2eea s ALA 40 Cb -0.61 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2eea s ALA 40 CO 0.45 -1.43 0.27 0.95 0.00 0.00 0.00 175.76 176.00 2eea s THR 41 N 1.21 5.29 0.21 0.00 -4.23 -1.26 -3.39 115.64 113.48 2eea s THR 41 Ca 0.02 -0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 59.76 2eea s THR 41 Cb -0.19 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 2eea s THR 41 CO -0.09 -0.07 0.34 0.72 -0.54 0.00 0.00 174.62 174.97 2eea s PHE 42 N -1.72 0.58 -0.01 3.99 -0.71 -1.13 -3.18 117.98 115.79 2eea s PHE 42 Ca 0.34 -0.90 0.02 0.00 -1.04 0.00 0.00 56.93 55.36 2eea s PHE 42 Cb -0.11 -0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 2eea s PHE 42 CO 0.28 -0.83 -0.06 0.99 -1.34 0.00 0.00 175.22 174.27 2eea s THR 43 N -4.04 3.75 -0.31 -4.49 2.01 -0.21 -3.16 115.64 109.18 2eea s THR 43 Ca 0.25 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2eea s THR 43 Cb 0.02 -2.62 0.10 0.00 0.01 0.00 0.00 72.50 70.01 2eea s THR 43 CO 0.07 0.43 0.10 -0.63 -0.69 0.00 0.00 174.62 173.90 2eea s ILE 44 N -0.98 0.81 0.16 1.82 1.01 -0.84 -1.45 121.20 121.73 2eea s ILE 44 Ca 0.17 -1.36 -0.31 0.00 0.00 0.00 0.00 60.65 59.15 2eea s ILE 44 Cb -0.11 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.65 2eea s ILE 44 CO 0.07 -0.68 1.41 -0.69 0.00 0.00 0.00 174.94 175.05 2eea s VAL 45 N 1.65 3.08 -0.16 2.92 1.01 -0.56 -2.91 120.40 125.42 2eea s VAL 45 Ca 0.10 0.81 0.10 0.00 0.00 0.00 0.00 61.98 62.99 2eea s VAL 45 Cb -0.17 -3.52 -0.15 0.00 0.00 0.00 0.00 36.38 32.54 2eea s VAL 45 CO -0.26 0.08 0.29 1.07 0.00 0.00 0.00 175.10 176.29 2eea n THR 46 N 3.47 0.00 -3.85 3.92 5.66 -1.25 -0.23 114.28 122.00 2eea n THR 46 Ca 0.10 -0.25 -0.29 0.00 -3.05 0.00 0.00 64.05 60.57 2eea n THR 46 Cb 0.41 0.49 0.01 0.00 -1.55 0.00 0.00 70.33 69.69 2eea n THR 46 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2eea n GLU 47 N -1.67 -2.37 -3.51 1.09 1.02 -1.26 -0.36 120.64 113.58 2eea n GLU 47 Ca -0.01 0.41 -0.23 0.00 -0.02 0.00 0.00 57.16 57.31 2eea n GLU 47 Cb 0.24 -4.27 -0.03 0.00 -0.02 0.00 0.00 31.44 27.36 2eea n GLU 47 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2eea n ASP 48 N -2.82 -2.24 -0.08 1.62 -0.08 -1.26 -4.76 116.55 106.93 2eea n ASP 48 Ca -0.22 -0.42 0.12 0.00 -1.51 0.00 0.00 54.79 52.76 2eea n ASP 48 Cb 0.64 -1.94 0.50 0.00 2.34 0.00 0.00 41.12 42.67 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2eea h ALA 49 N 0.94 2.01 0.00 -1.67 0.00 -1.09 -3.48 119.26 115.97 2eea h ALA 49 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2eea h ALA 49 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2eea h ALA 49 CO 0.50 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.02 2eea n GLY 50 N -1.52 0.58 3.25 0.00 0.00 -1.26 -5.05 105.19 101.19 2eea n GLY 50 Ca 0.09 -2.04 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 2eea n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2eea s GLU 51 N -0.68 0.44 0.00 1.61 -1.05 -1.26 -5.07 118.70 112.70 2eea s GLU 51 Ca 0.00 1.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.84 2eea s GLU 51 Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 2eea s GLU 51 CO 0.00 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.21 2eea n GLY 52 N 5.41 -0.66 2.46 -3.83 0.00 -1.26 -5.08 105.19 102.24 2eea n GLY 52 Ca -0.07 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2eea n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eea s GLY 53 N -2.41 0.86 -0.59 -0.02 0.00 -1.26 -5.00 107.32 98.91 2eea s GLY 53 Ca 0.00 -1.97 -0.20 0.00 0.00 0.00 0.00 44.72 42.54 2eea s GLY 53 CO 0.00 2.19 0.76 -2.27 0.00 0.00 0.00 173.10 173.78 2eea s LEU 54 N 0.74 4.98 -0.26 0.66 2.96 -1.26 -0.13 118.68 126.37 2eea s LEU 54 Ca 0.23 -1.15 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 2eea s LEU 54 Cb -0.12 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2eea s LEU 54 CO -0.07 -1.15 0.17 -0.62 -1.32 0.00 0.00 176.35 173.36 2eea s ASP 55 N 3.39 5.99 -0.16 3.68 2.15 -0.92 -4.98 116.67 125.83 2eea s ASP 55 Ca 0.16 0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.17 2eea s ASP 55 Cb -0.21 -2.10 0.02 0.00 -0.30 0.00 0.00 42.92 40.33 2eea s ASP 55 CO 0.09 -0.00 -0.18 -0.22 -0.17 0.00 0.00 175.17 174.69 2eea s LEU 56 N 1.48 1.93 -0.03 -1.34 0.20 -1.26 0.05 118.68 119.72 2eea s LEU 56 Ca 0.07 -0.57 0.00 0.00 0.69 0.00 0.00 54.13 54.32 2eea s LEU 56 Cb -0.15 -1.34 0.03 0.00 -0.43 0.00 0.00 46.19 44.30 2eea s LEU 56 CO 0.08 -0.01 0.01 0.00 -0.29 0.00 0.00 176.35 176.13 2eea s ALA 57 N 1.31 0.25 -0.04 5.97 0.00 0.64 -5.03 121.76 124.87 2eea s ALA 57 Ca 0.03 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.23 2eea s ALA 57 Cb -0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2eea s ALA 57 CO -0.11 -0.08 -0.13 0.42 0.00 0.00 0.00 175.76 175.87 2eea s ILE 58 N 1.00 3.15 0.34 0.00 1.01 -1.26 -0.07 121.20 125.37 2eea s ILE 58 Ca -0.10 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.86 2eea s ILE 58 Cb -0.13 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.02 2eea s ILE 58 CO -0.02 0.56 0.06 -1.61 0.00 0.00 0.00 174.94 173.93 2eea s GLU 59 N -0.85 1.70 0.00 2.79 0.41 0.36 -4.83 118.70 118.28 2eea s GLU 59 Ca 0.12 -1.95 0.00 0.00 -0.41 0.00 0.00 54.97 52.73 2eea s GLU 59 Cb -0.11 -0.90 0.00 0.00 -1.78 0.00 0.00 34.13 31.34 2eea s GLU 59 CO 0.01 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.99 2eea n GLY 60 N -0.73 -0.72 0.00 -1.39 0.00 -1.26 0.19 105.19 101.28 2eea n GLY 60 Ca -0.03 -1.23 0.07 0.00 0.00 0.00 0.00 46.02 44.83 2eea n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 61 N 0.00 0.05 -3.55 1.61 -0.04 -1.26 -4.75 135.00 127.06 2eea n PRO 61 Ca 0.00 0.23 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 2eea n PRO 61 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2eea n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eea s SER 62 N -2.89 -0.65 0.42 3.54 0.15 -1.26 -4.99 113.70 108.02 2eea s SER 62 Ca 0.09 0.83 -0.24 0.00 0.70 0.00 0.00 55.95 57.33 2eea s SER 62 Cb 0.09 0.70 -0.08 0.00 -1.71 0.00 0.00 66.02 65.02 2eea s SER 62 CO 0.25 -0.51 1.12 -0.75 1.20 0.00 0.00 173.24 174.56 2eea s LYS 63 N -0.85 3.98 -0.02 5.44 2.20 -1.26 -4.80 119.74 124.42 2eea s LYS 63 Ca -0.08 1.70 -0.00 0.00 -0.36 0.00 0.00 55.97 57.23 2eea s LYS 63 Cb -0.01 -2.53 0.03 0.00 -1.51 0.00 0.00 37.83 33.81 2eea s LYS 63 CO 0.07 -0.34 0.04 0.00 -0.36 0.00 0.00 175.35 174.76 2eea s ALA 64 N -1.55 0.08 1.06 3.13 0.00 -1.26 -4.48 121.76 118.74 2eea s ALA 64 Ca 0.60 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 2eea s ALA 64 Cb -0.27 -0.30 0.16 0.00 0.00 0.00 0.00 23.12 22.72 2eea s ALA 64 CO 0.33 -0.15 0.68 -0.85 0.00 0.00 0.00 175.76 175.77 2eea n GLU 65 N 4.30 -1.37 -3.76 0.00 0.28 -1.26 -4.85 120.64 113.98 2eea n GLU 65 Ca -0.25 -0.36 -0.13 0.00 -0.16 0.00 0.00 57.16 56.25 2eea n GLU 65 Cb 0.50 -2.04 -0.14 0.00 1.43 0.00 0.00 31.44 31.19 2eea n GLU 65 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2eea s ILE 66 N -2.42 -0.04 -0.42 3.84 1.01 -1.26 -3.87 121.20 118.05 2eea s ILE 66 Ca 0.63 0.13 0.02 0.00 0.00 0.00 0.00 60.65 61.43 2eea s ILE 66 Cb -0.21 -0.26 0.13 0.00 0.01 0.00 0.00 42.46 42.13 2eea s ILE 66 CO 0.64 0.05 0.21 -0.55 0.00 0.00 0.00 174.94 175.29 2eea s SER 67 N 0.95 3.82 0.01 3.58 0.15 0.73 -4.96 113.70 117.98 2eea s SER 67 Ca -0.07 -2.47 -0.26 0.00 0.70 0.00 0.00 55.95 53.85 2eea s SER 67 Cb -0.09 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 2eea s SER 67 CO -0.05 -0.29 0.82 0.00 1.20 0.00 0.00 173.24 174.92 2eea s ILE 69 N 0.44 0.12 0.13 0.00 1.01 -0.86 -4.98 121.20 117.06 2eea s ILE 69 Ca 0.42 -0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 2eea s ILE 69 Cb -0.20 -0.13 -0.06 0.00 0.01 0.00 0.00 42.46 42.08 2eea s ILE 69 CO 0.24 0.06 0.41 -0.62 0.00 0.00 0.00 174.94 175.02 2eea s ASP 70 N 0.23 6.56 0.47 3.58 2.15 -1.26 0.04 116.67 128.43 2eea s ASP 70 Ca -0.02 0.70 0.04 0.00 0.43 0.00 0.00 52.55 53.70 2eea s ASP 70 Cb -0.04 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 2eea s ASP 70 CO -0.01 0.07 0.04 0.20 -0.17 0.00 0.00 175.17 175.31 2eea s ASN 71 N -2.20 4.09 0.30 -0.34 0.01 -0.47 -4.90 114.94 111.43 2eea s ASN 71 Ca 0.39 -1.48 0.16 0.00 -0.71 0.00 0.00 52.86 51.22 2eea s ASN 71 Cb -0.13 0.09 0.12 0.00 0.41 0.00 0.00 41.25 41.75 2eea s ASN 71 CO 0.22 -0.69 1.47 0.50 -1.51 0.00 0.00 177.10 177.09 2eea h LYS 72 N 1.48 0.00 -1.84 -0.60 3.11 -2.00 -3.30 116.57 113.42 2eea h LYS 72 Ca -0.44 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.23 2eea h LYS 72 Cb 1.28 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.44 2eea h LYS 72 CO 0.76 0.45 0.12 -0.25 -2.81 0.00 0.00 179.45 177.72 2eea n ASP 73 N -3.23 5.80 -2.63 4.20 8.00 -1.26 -4.77 116.55 122.67 2eea n ASP 73 Ca 0.02 -2.70 -0.03 0.00 0.71 0.00 0.00 54.79 52.79 2eea n ASP 73 Cb 0.71 -1.15 -0.01 0.00 -0.02 0.00 0.00 41.12 40.65 2eea n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2eea n GLY 74 N 1.20 -0.49 3.25 0.44 0.00 -1.24 -4.87 105.19 103.47 2eea n GLY 74 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2eea n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eea s THR 75 N -2.08 1.84 -0.24 2.61 -4.23 -1.26 -3.95 115.64 108.33 2eea s THR 75 Ca 0.06 -0.97 -0.10 0.00 -1.18 0.00 0.00 61.69 59.49 2eea s THR 75 Cb -0.03 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.22 2eea s THR 75 CO 0.07 0.52 0.16 0.00 -0.54 0.00 0.00 174.62 174.83 2eea s THR 77 N 1.08 4.18 0.12 0.00 2.01 0.11 -1.99 115.64 121.15 2eea s THR 77 Ca 0.07 -1.62 -0.03 0.00 0.31 0.00 0.00 61.69 60.43 2eea s THR 77 Cb -0.14 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2eea s THR 77 CO 0.05 -0.65 0.32 -0.69 -0.69 0.00 0.00 174.62 172.96 2eea s VAL 78 N 1.38 5.25 0.01 3.82 1.01 -1.19 -2.03 120.40 128.65 2eea s VAL 78 Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2eea s VAL 78 Cb -0.25 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2eea s VAL 78 CO 0.00 0.05 -0.09 -0.89 0.00 0.00 0.00 175.10 174.17 2eea s THR 79 N -1.63 0.70 -0.10 3.92 2.01 -0.60 -2.84 115.64 117.10 2eea s THR 79 Ca 0.39 -0.56 -0.20 0.00 0.31 0.00 0.00 61.69 61.63 2eea s THR 79 Cb -0.12 -0.62 0.05 0.00 0.01 0.00 0.00 72.50 71.81 2eea s THR 79 CO 0.26 0.07 0.49 -0.72 -0.69 0.00 0.00 174.62 174.03 2eea s TYR 80 N -0.47 -0.47 -0.22 4.92 -0.85 -1.22 -0.20 117.35 118.85 2eea s TYR 80 Ca 0.01 0.98 0.02 0.00 -0.52 0.00 0.00 57.07 57.55 2eea s TYR 80 Cb -0.05 0.22 0.04 0.00 0.38 0.00 0.00 41.96 42.55 2eea s TYR 80 CO 0.00 -0.39 -0.16 -1.17 -1.52 0.00 0.00 175.55 172.32 2eea s LEU 81 N -0.57 2.76 0.76 -3.49 2.96 -1.25 -2.14 118.68 117.71 2eea s LEU 81 Ca -0.07 -1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 52.72 2eea s LEU 81 Cb -0.03 -1.51 0.05 0.00 0.50 0.00 0.00 46.19 45.19 2eea s LEU 81 CO 0.04 -0.09 1.09 -2.16 -1.32 0.00 0.00 176.35 173.91 2eea s PRO 82 N 1.20 2.31 -0.00 0.98 0.04 -1.26 -4.17 135.00 134.10 2eea s PRO 82 Ca -0.02 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.25 2eea s PRO 82 Cb -0.16 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2eea s PRO 82 CO -0.09 -1.61 0.11 2.41 0.04 0.00 0.00 177.00 177.86 2eea n THR 83 N -3.40 0.00 -3.70 1.26 -1.04 -1.26 -2.24 114.28 103.90 2eea n THR 83 Ca 0.09 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.05 61.72 2eea n THR 83 Cb 0.53 0.70 -0.09 0.00 -1.82 0.00 0.00 70.33 69.65 2eea n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2eea s LEU 84 N -2.73 0.15 -0.23 -4.42 1.43 -1.26 -4.77 118.68 106.86 2eea s LEU 84 Ca -0.00 0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 53.66 2eea s LEU 84 Cb 0.02 1.70 -0.02 0.00 0.03 0.00 0.00 46.19 47.92 2eea s LEU 84 CO 0.15 -0.24 1.61 -2.16 0.23 0.00 0.00 176.35 175.94 2eea s PRO 85 N -0.05 3.78 0.00 1.29 0.04 -1.26 -4.82 135.00 133.97 2eea s PRO 85 Ca -0.03 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2eea s PRO 85 Cb -0.03 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2eea s PRO 85 CO 0.02 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.15 2eea n GLY 86 N 4.69 -0.26 3.58 0.56 0.00 -1.23 -4.99 105.19 107.55 2eea n GLY 86 Ca 0.19 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2eea n GLY 86 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2eea s ASP 87 N 0.00 6.20 0.02 1.61 1.47 -1.26 -3.75 116.67 120.97 2eea s ASP 87 Ca 0.00 0.25 -0.26 0.00 1.18 0.00 0.00 52.55 53.72 2eea s ASP 87 Cb 0.00 -2.55 -0.05 0.00 -0.34 0.00 0.00 42.92 39.99 2eea s ASP 87 CO 0.00 -1.66 0.82 -0.31 0.68 0.00 0.00 175.17 174.70 2eea s TYR 88 N 5.80 3.70 -0.77 2.11 1.51 -1.23 -4.68 117.35 123.79 2eea s TYR 88 Ca 0.50 1.51 -0.19 0.00 -1.01 0.00 0.00 57.07 57.89 2eea s TYR 88 Cb -0.10 -2.90 0.13 0.00 -0.11 0.00 0.00 41.96 38.97 2eea s TYR 88 CO 0.25 0.17 0.92 -1.12 -1.11 0.00 0.00 175.55 174.67 2eea s SER 89 N 0.32 6.44 -0.01 2.29 0.01 0.13 -3.54 113.70 119.34 2eea s SER 89 Ca 0.42 -1.80 -0.30 0.00 1.31 0.00 0.00 55.95 55.59 2eea s SER 89 Cb -0.20 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2eea s SER 89 CO 0.24 -1.07 0.97 -0.63 0.41 0.00 0.00 173.24 173.16 2eea s ILE 90 N 2.52 4.87 -0.17 1.44 1.01 -1.08 -0.49 121.20 129.30 2eea s ILE 90 Ca 0.22 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.91 2eea s ILE 90 Cb -0.13 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 38.07 2eea s ILE 90 CO -0.02 0.15 -0.09 -0.76 0.00 0.00 0.00 174.94 174.23 2eea s LEU 91 N 1.07 1.82 -0.02 2.97 1.43 0.90 -2.57 118.68 124.28 2eea s LEU 91 Ca 0.51 -0.68 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2eea s LEU 91 Cb -0.21 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 2eea s LEU 91 CO 0.27 -0.14 -0.22 -0.69 0.23 0.00 0.00 176.35 175.80 2eea s VAL 92 N 1.53 1.73 0.10 -1.59 1.01 -1.26 -0.26 120.40 121.66 2eea s VAL 92 Ca 0.01 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.13 2eea s VAL 92 Cb -0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2eea s VAL 92 CO -0.08 0.49 -0.17 -0.54 0.00 0.00 0.00 175.10 174.79 2eea s LYS 93 N -0.44 1.00 -0.38 2.72 1.02 0.11 -3.57 119.74 120.20 2eea s LYS 93 Ca 0.06 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 54.95 2eea s LYS 93 Cb -0.09 -1.11 0.12 0.00 -0.52 0.00 0.00 37.83 36.24 2eea s LYS 93 CO -0.00 0.25 0.19 -0.47 -0.92 0.00 0.00 175.35 174.39 2eea s TYR 94 N -1.39 1.70 -0.61 3.18 5.04 -0.33 -2.17 117.35 122.77 2eea s TYR 94 Ca 0.04 -2.07 -0.00 0.00 -2.44 0.00 0.00 57.07 52.59 2eea s TYR 94 Cb -0.09 -1.69 -0.00 0.00 0.35 0.00 0.00 41.96 40.53 2eea s TYR 94 CO 0.03 -0.82 0.51 0.09 -1.34 0.00 0.00 175.55 174.02 2eea n ASN 95 N 4.06 -2.25 -2.17 4.32 4.13 0.82 -3.13 115.26 121.04 2eea n ASN 95 Ca 0.05 -0.32 -0.19 0.00 1.68 0.00 0.00 54.58 55.80 2eea n ASN 95 Cb 0.37 -2.88 -0.01 0.00 -1.54 0.00 0.00 39.78 35.72 2eea n ASN 95 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2eea n ASP 96 N -2.12 -5.49 -3.43 6.41 9.92 -1.26 -4.97 116.55 115.61 2eea n ASP 96 Ca -0.14 -0.02 -0.15 0.00 -0.53 0.00 0.00 54.79 53.95 2eea n ASP 96 Cb 0.58 -4.54 -0.11 0.00 -0.64 0.00 0.00 41.12 36.42 2eea n ASP 96 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2eea s LYS 97 N -4.95 0.27 0.94 -1.24 1.02 -1.18 -5.15 119.74 109.45 2eea s LYS 97 Ca 0.00 0.21 -0.12 0.00 0.02 0.00 0.00 55.97 56.07 2eea s LYS 97 Cb 0.00 -0.85 0.05 0.00 -0.52 0.00 0.00 37.83 36.51 2eea s LYS 97 CO 0.00 -0.75 0.53 0.72 -0.92 0.00 0.00 175.35 174.93 2eea n HIS 98 N 5.33 -1.05 -2.93 3.18 8.25 -1.26 -1.19 115.22 125.55 2eea n HIS 98 Ca -0.04 0.26 -0.27 0.00 -0.26 0.00 0.00 57.72 57.41 2eea n HIS 98 Cb 0.49 -1.82 -0.01 0.00 1.12 0.00 0.00 29.99 29.76 2eea n HIS 98 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2eea s ILE 99 N -2.42 4.94 -0.47 1.59 -4.36 -1.23 -4.76 121.20 114.50 2eea s ILE 99 Ca 0.59 0.13 -0.28 0.00 -0.26 0.00 0.00 60.65 60.83 2eea s ILE 99 Cb -0.22 -3.82 -0.02 0.00 1.25 0.00 0.00 42.46 39.66 2eea s ILE 99 CO 0.66 -0.65 1.77 -2.16 0.24 0.00 0.00 174.94 174.80 2eea s PRO 100 N -4.31 3.05 0.00 0.37 0.04 -1.26 -2.71 135.00 130.17 2eea s PRO 100 Ca 0.46 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2eea s PRO 100 Cb -0.10 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2eea s PRO 100 CO 0.38 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.63 2eea n GLY 101 N 5.50 1.16 3.78 0.56 0.00 -1.26 -4.95 105.19 109.98 2eea n GLY 101 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2eea n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eea s SER 102 N -0.54 5.32 1.20 1.61 1.04 -1.10 -4.48 113.70 116.76 2eea s SER 102 Ca 0.00 2.01 -0.19 0.00 0.48 0.00 0.00 55.95 58.25 2eea s SER 102 Cb 0.00 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.85 2eea s SER 102 CO 0.00 -1.48 1.11 -2.16 0.98 0.00 0.00 173.24 171.69 2eea s PRO 103 N -3.93 -1.21 0.01 4.02 0.04 -1.26 -4.97 135.00 127.69 2eea s PRO 103 Ca 0.68 -0.06 0.07 0.00 0.04 0.00 0.00 61.00 61.73 2eea s PRO 103 Cb -0.20 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2eea s PRO 103 CO 0.38 -3.71 -0.23 -0.06 0.04 0.00 0.00 177.00 173.42 2eea s PHE 104 N -3.01 2.04 -0.24 0.56 0.08 -1.06 -5.00 117.98 111.35 2eea s PHE 104 Ca 0.71 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 57.33 2eea s PHE 104 Cb -0.10 -1.27 -0.00 0.00 -0.57 0.00 0.00 43.02 41.08 2eea s PHE 104 CO 0.56 0.03 -0.03 0.99 -0.10 0.00 0.00 175.22 176.67 2eea s THR 105 N -0.65 3.39 -0.33 0.64 2.01 -1.26 -2.62 115.64 116.81 2eea s THR 105 Ca 0.09 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 2eea s THR 105 Cb -0.09 -2.60 0.04 0.00 0.01 0.00 0.00 72.50 69.87 2eea s THR 105 CO 0.00 0.34 0.09 0.00 -0.69 0.00 0.00 174.62 174.36 2eea s ALA 106 N 1.46 3.00 -0.75 7.40 0.00 -1.21 -4.63 121.76 127.02 2eea s ALA 106 Ca 0.05 -1.78 -0.26 0.00 0.00 0.00 0.00 51.96 49.97 2eea s ALA 106 Cb -0.15 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2eea s ALA 106 CO -0.03 -1.34 1.62 0.15 0.00 0.00 0.00 175.76 176.17 2eea s LYS 107 N 1.36 2.93 -0.09 0.00 1.02 -0.80 -3.50 119.74 120.67 2eea s LYS 107 Ca -0.02 -0.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.80 2eea s LYS 107 Cb -0.20 -4.55 -0.05 0.00 -0.52 0.00 0.00 37.83 32.51 2eea s LYS 107 CO 0.02 -2.57 0.28 0.42 -0.92 0.00 0.00 175.35 172.59 2eea s ILE 108 N 7.57 5.27 0.54 2.17 1.01 -1.25 -2.65 121.20 133.85 2eea s ILE 108 Ca 0.54 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.81 2eea s ILE 108 Cb -0.08 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.85 2eea s ILE 108 CO 0.11 0.54 0.52 0.42 0.00 0.00 0.00 174.94 176.53 2eea s THR 109 N -0.59 1.95 -0.24 2.92 -4.23 -0.66 -3.49 115.64 111.30 2eea s THR 109 Ca 0.19 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2eea s THR 109 Cb -0.14 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.50 2eea s THR 109 CO 0.07 0.00 -0.01 -0.62 -0.54 0.00 0.00 174.62 173.53 2eea s ASP 110 N -4.38 3.73 -0.20 3.99 2.15 -1.26 -1.37 116.67 119.33 2eea s ASP 110 Ca 0.44 -1.23 -0.03 0.00 0.43 0.00 0.00 52.55 52.17 2eea s ASP 110 Cb -0.03 -1.04 0.01 0.00 -0.30 0.00 0.00 42.92 41.55 2eea s ASP 110 CO 0.28 -0.28 2.60 -0.67 -0.17 0.00 0.00 175.17 176.92 2eea n ASP 111 N 4.75 5.92 -0.03 -0.34 2.03 -1.26 -4.41 116.55 123.21 2eea n ASP 111 Ca -0.09 -2.81 -0.12 0.00 0.52 0.00 0.00 54.79 52.29 2eea n ASP 111 Cb 0.44 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 2eea n ASP 111 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2eea h SER 112 N 2.12 0.78 0.05 1.67 0.87 -1.97 -3.33 113.55 113.75 2eea h SER 112 Ca 0.23 -0.43 -0.26 0.00 -1.23 0.00 0.00 61.79 60.09 2eea h SER 112 Cb 1.03 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2eea h SER 112 CO 0.49 1.19 -1.40 -0.09 -0.53 0.00 0.00 176.83 176.49 2eea h ARG 113 N 0.52 0.11 -6.19 2.24 2.43 -2.06 -3.48 114.38 107.95 2eea h ARG 113 Ca 0.00 -0.18 -0.45 0.00 -0.81 0.00 0.00 59.98 58.54 2eea h ARG 113 Cb 1.16 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2eea h ARG 113 CO 0.12 1.09 -0.76 -2.13 -1.51 0.00 0.00 179.97 176.78 2eea n ARG 114 N -4.13 -5.81 0.00 0.20 0.63 -1.25 -5.28 116.66 101.02 2eea n ARG 114 Ca -0.30 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 2eea n ARG 114 Cb 0.80 -5.50 0.00 0.00 0.45 0.00 0.00 32.46 28.20 2eea n ARG 114 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12