#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eea h SER 2 N 0.00 -0.01 -3.49 1.61 4.64 -2.09 -3.44 113.55 110.76 2eea h SER 2 Ca 0.00 -0.64 -0.52 0.00 -0.47 0.00 0.00 61.79 60.16 2eea h SER 2 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2eea h SER 2 CO 0.00 0.64 0.60 -0.94 -0.87 0.00 0.00 176.83 176.26 2eea s SER 3 N -5.84 6.98 0.00 4.97 1.04 -1.26 -4.95 113.70 114.64 2eea s SER 3 Ca -0.17 2.35 0.00 0.00 0.48 0.00 0.00 55.95 58.62 2eea s SER 3 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2eea s SER 3 CO 0.66 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2eea n GLY 4 N 2.08 1.97 0.69 7.32 0.00 -1.26 -5.08 105.19 110.91 2eea n GLY 4 Ca 0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 2eea n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eea n SER 5 N 0.00 0.82 0.02 1.61 7.64 -1.26 -4.79 113.62 117.66 2eea n SER 5 Ca 0.00 0.14 -0.10 0.00 1.01 0.00 0.00 58.87 59.92 2eea n SER 5 Cb 0.00 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 2eea n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2eea h SER 6 N -0.36 -1.05 -4.47 6.43 0.02 -1.99 -3.48 113.55 108.65 2eea h SER 6 Ca -0.21 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2eea h SER 6 Cb 1.08 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2eea h SER 6 CO -0.13 -0.31 -0.38 0.61 -1.14 0.00 0.00 176.83 175.47 2eea n GLY 7 N -1.28 -1.56 3.71 -3.77 0.00 -1.26 -5.02 105.19 96.02 2eea n GLY 7 Ca -0.04 0.70 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.89 1.16 -0.01 1.61 0.04 -1.26 -4.99 135.00 129.66 2eea s PRO 8 Ca 0.14 0.79 0.17 0.00 0.04 0.00 0.00 61.00 62.13 2eea s PRO 8 Cb -0.04 -1.80 -0.23 0.00 0.04 0.00 0.00 34.50 32.47 2eea s PRO 8 CO 0.51 -2.30 0.50 -1.91 0.04 0.00 0.00 177.00 173.83 2eea n GLU 9 N -3.92 0.95 -3.73 4.56 2.13 -1.26 -4.98 120.64 114.39 2eea n GLU 9 Ca 0.07 -0.09 -0.13 0.00 0.66 0.00 0.00 57.16 57.66 2eea n GLU 9 Cb 0.55 -1.35 -0.10 0.00 0.27 0.00 0.00 31.44 30.82 2eea n GLU 9 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2eea s SER 10 N -3.38 -0.39 -0.41 4.31 0.15 -1.26 -5.12 113.70 107.61 2eea s SER 10 Ca -0.01 0.70 -0.28 0.00 0.70 0.00 0.00 55.95 57.06 2eea s SER 10 Cb 0.11 0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 65.15 2eea s SER 10 CO 0.69 -0.20 1.74 -2.16 1.20 0.00 0.00 173.24 174.50 2eea s PRO 11 N -0.06 3.23 -0.45 5.44 0.04 -1.26 -4.93 135.00 137.01 2eea s PRO 11 Ca -0.02 1.15 0.03 0.00 0.04 0.00 0.00 61.00 62.20 2eea s PRO 11 Cb -0.03 -4.21 0.16 0.00 0.04 0.00 0.00 34.50 30.46 2eea s PRO 11 CO 0.01 -1.99 0.31 -0.51 0.04 0.00 0.00 177.00 174.87 2eea s LEU 12 N 7.08 2.07 -0.26 -3.56 1.43 -1.26 -5.06 118.68 119.12 2eea s LEU 12 Ca 0.73 -2.91 -0.03 0.00 -1.03 0.00 0.00 54.13 50.90 2eea s LEU 12 Cb -0.19 -0.72 0.15 0.00 0.03 0.00 0.00 46.19 45.46 2eea s LEU 12 CO 0.31 -0.21 0.47 -1.10 0.23 0.00 0.00 176.35 176.05 2eea s GLN 13 N 0.11 0.43 0.10 1.70 -0.21 -1.26 -5.16 119.66 115.38 2eea s GLN 13 Ca 0.25 0.82 0.03 0.00 0.02 0.00 0.00 55.36 56.49 2eea s GLN 13 Cb -0.09 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.94 2eea s GLN 13 CO -0.11 -0.55 0.11 0.12 -2.12 0.00 0.00 175.29 172.74 2eea s PHE 14 N 2.68 3.20 -0.62 0.91 5.36 -1.26 -4.56 117.98 123.70 2eea s PHE 14 Ca 0.12 0.06 -0.03 0.00 -0.96 0.00 0.00 56.93 56.12 2eea s PHE 14 Cb -0.15 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.94 2eea s PHE 14 CO -0.17 0.52 0.53 0.98 -1.46 0.00 0.00 175.22 175.62 2eea n TYR 15 N 0.19 -1.26 -5.01 10.12 9.36 -1.26 -5.04 117.16 124.26 2eea n TYR 15 Ca -0.08 0.47 -0.30 0.00 3.32 0.00 0.00 57.90 61.31 2eea n TYR 15 Cb 0.52 -3.05 -0.17 0.00 -0.63 0.00 0.00 39.34 36.02 2eea n TYR 15 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2eea s VAL 16 N -3.15 1.77 0.52 2.97 1.01 -1.26 -5.14 120.40 117.12 2eea s VAL 16 Ca 0.20 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2eea s VAL 16 Cb -0.09 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2eea s VAL 16 CO 0.34 0.50 0.81 0.21 0.00 0.00 0.00 175.10 176.96 2eea s ASN 17 N 0.46 5.94 0.11 3.32 3.84 -1.26 -5.11 114.94 122.24 2eea s ASN 17 Ca -0.17 0.74 0.06 0.00 0.21 0.00 0.00 52.86 53.70 2eea s ASN 17 Cb -0.17 -1.93 -0.04 0.00 -0.55 0.00 0.00 41.25 38.56 2eea s ASN 17 CO 0.07 -0.78 -0.15 -0.31 -2.79 0.00 0.00 177.10 173.14 2eea s TYR 18 N -2.80 1.44 0.21 0.43 1.51 -1.26 -5.04 117.35 111.85 2eea s TYR 18 Ca 0.50 -0.50 0.25 0.00 -1.01 0.00 0.00 57.07 56.30 2eea s TYR 18 Cb -0.10 -0.77 1.06 0.00 -0.11 0.00 0.00 41.96 42.04 2eea s TYR 18 CO 0.44 0.15 1.89 -1.00 -1.11 0.00 0.00 175.55 175.91 2eea h PRO 19 N 3.77 0.00 -3.98 -1.71 0.13 -2.07 -3.38 132.00 124.76 2eea h PRO 19 Ca -0.41 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.96 2eea h PRO 19 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 2eea h PRO 19 CO 0.46 0.20 -0.13 -0.80 -0.23 0.00 0.00 178.00 177.51 2eea s ASN 20 N -6.18 6.29 -0.53 1.44 0.01 -1.26 -5.03 114.94 109.68 2eea s ASN 20 Ca -0.00 -2.24 -0.28 0.00 -0.71 0.00 0.00 52.86 49.62 2eea s ASN 20 Cb 0.11 -2.16 0.01 0.00 0.41 0.00 0.00 41.25 39.62 2eea s ASN 20 CO 0.62 -0.69 1.41 -0.94 -1.51 0.00 0.00 177.10 176.00 2eea s SER 21 N 2.70 6.17 -0.06 -1.22 1.04 -1.26 -4.46 113.70 116.61 2eea s SER 21 Ca 0.10 0.41 -0.02 0.00 0.48 0.00 0.00 55.95 56.92 2eea s SER 21 Cb -0.21 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.37 2eea s SER 21 CO -0.03 -1.65 0.04 0.61 0.98 0.00 0.00 173.24 173.19 2eea n GLY 22 N 5.22 -1.20 3.59 7.32 0.00 -1.26 -5.03 105.19 113.83 2eea n GLY 22 Ca 0.13 0.31 -0.05 0.00 0.00 0.00 0.00 46.02 46.41 2eea n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eea s SER 23 N -0.59 -0.17 0.10 1.61 0.15 -1.26 -5.11 113.70 108.43 2eea s SER 23 Ca -0.04 0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.71 2eea s SER 23 Cb 0.00 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 2eea s SER 23 CO 0.19 -0.25 0.05 -0.69 1.20 0.00 0.00 173.24 173.75 2eea s VAL 24 N -2.08 4.26 -0.18 4.45 1.01 -1.26 -4.71 120.40 121.88 2eea s VAL 24 Ca 0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2eea s VAL 24 Cb -0.01 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.36 2eea s VAL 24 CO -0.05 0.07 0.47 -0.94 0.00 0.00 0.00 175.10 174.66 2eea s SER 25 N -2.50 -0.54 -0.14 3.32 1.04 -1.25 -4.72 113.70 108.91 2eea s SER 25 Ca 0.28 0.98 0.02 0.00 0.48 0.00 0.00 55.95 57.71 2eea s SER 25 Cb -0.11 0.94 0.01 0.00 0.10 0.00 0.00 66.02 66.95 2eea s SER 25 CO 0.20 -0.18 -0.20 0.00 0.98 0.00 0.00 173.24 174.04 2eea s ALA 26 N 0.70 2.31 -0.01 5.32 0.00 -1.26 -1.60 121.76 127.21 2eea s ALA 26 Ca -0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 2eea s ALA 26 Cb -0.05 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 2eea s ALA 26 CO -0.05 0.02 0.06 1.52 0.00 0.00 0.00 175.76 177.31 2eea s TYR 27 N 0.74 0.06 0.00 0.00 -0.85 -1.11 -5.04 117.35 111.14 2eea s TYR 27 Ca -0.08 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 2eea s TYR 27 Cb -0.16 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.12 2eea s TYR 27 CO 0.00 -0.14 0.00 0.41 -1.52 0.00 0.00 175.55 174.30 2eea n GLY 28 N 2.21 2.96 0.00 5.49 0.00 -1.26 -1.94 105.19 112.65 2eea n GLY 28 Ca -0.18 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.91 0.38 0.03 1.61 -0.04 -1.25 -2.24 135.00 132.58 2eea n PRO 29 Ca 0.00 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2eea n PRO 29 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -0.03 -1.18 0.10 0.55 0.00 -1.03 -3.63 105.19 99.98 2eea n GLY 30 Ca 0.10 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.18 1.10 -0.03 0.99 4.77 -0.95 -4.44 117.00 116.27 2eea n LEU 31 Ca -0.00 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 2eea n LEU 31 Cb 0.50 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2eea n LEU 31 CO 0.42 0.58 0.52 0.58 -1.33 0.00 0.00 177.39 178.16 2eea h VAL 32 N 0.01 1.46 -2.48 4.08 2.07 -1.73 -3.00 116.25 116.66 2eea h VAL 32 Ca -0.45 -1.57 0.13 0.00 0.82 0.00 0.00 66.70 65.64 2eea h VAL 32 Cb 2.09 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 34.22 2eea h VAL 32 CO 0.04 0.43 0.50 0.00 0.02 0.00 0.00 177.57 178.56 2eea n TYR 33 N -4.62 -1.34 -2.39 1.57 0.18 -1.24 -0.87 117.16 108.45 2eea n TYR 33 Ca -0.08 -1.17 0.00 0.00 1.88 0.00 0.00 57.90 58.53 2eea n TYR 33 Cb 0.39 0.57 0.00 0.00 -0.38 0.00 0.00 39.34 39.92 2eea n TYR 33 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2eea n GLY 34 N -0.63 2.11 3.13 -7.48 0.00 -1.18 -4.09 105.19 97.06 2eea n GLY 34 Ca -0.02 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.61 0.01 -0.05 1.61 1.01 -1.26 -2.57 120.40 116.54 2eea s VAL 35 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 61.98 61.50 2eea s VAL 35 Cb 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 36.38 35.84 2eea s VAL 35 CO 0.00 -0.05 1.49 0.00 0.00 0.00 0.00 175.10 176.54 2eea n ALA 36 N 2.69 -0.69 -3.75 5.51 0.00 -0.06 -0.60 120.51 123.61 2eea n ALA 36 Ca -0.14 0.47 -0.26 0.00 0.00 0.00 0.00 53.44 53.51 2eea n ALA 36 Cb 0.58 -2.13 0.05 0.00 0.00 0.00 0.00 19.45 17.94 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 3.60 -4.10 -4.23 0.00 5.03 0.12 -4.74 115.26 110.94 2eea n ASN 37 Ca 0.21 -0.72 -0.24 0.00 0.87 0.00 0.00 54.58 54.71 2eea n ASN 37 Cb 0.17 -4.31 -0.14 0.00 -1.02 0.00 0.00 39.78 34.48 2eea n ASN 37 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2eea s LYS 38 N -6.29 1.23 -0.02 3.52 2.47 0.23 -4.97 119.74 115.92 2eea s LYS 38 Ca 0.44 -0.93 -0.30 0.00 -1.56 0.00 0.00 55.97 53.61 2eea s LYS 38 Cb -0.21 -1.35 -0.06 0.00 -1.46 0.00 0.00 37.83 34.75 2eea s LYS 38 CO 0.79 0.34 1.66 0.95 0.16 0.00 0.00 175.35 179.25 2eea s THR 39 N -0.88 3.45 -0.06 3.43 -4.23 -1.26 -4.19 115.64 111.89 2eea s THR 39 Ca 0.06 0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 61.19 2eea s THR 39 Cb -0.09 -3.41 0.03 0.00 1.34 0.00 0.00 72.50 70.37 2eea s THR 39 CO 0.02 -0.04 0.05 0.00 -0.54 0.00 0.00 174.62 174.11 2eea s ALA 40 N 3.68 0.37 0.19 3.99 0.00 -1.03 -4.95 121.76 124.01 2eea s ALA 40 Ca 0.74 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 2eea s ALA 40 Cb -0.35 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 2eea s ALA 40 CO 0.31 -0.57 0.09 -0.08 0.00 0.00 0.00 175.76 175.51 2eea s THR 41 N 2.12 0.22 0.17 0.00 -1.32 -1.26 -1.75 115.64 113.82 2eea s THR 41 Ca 0.05 -1.98 -0.10 0.00 -1.21 0.00 0.00 61.69 58.45 2eea s THR 41 Cb -0.13 -2.38 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 2eea s THR 41 CO -0.04 -0.17 0.30 0.72 -2.21 0.00 0.00 174.62 173.23 2eea s PHE 42 N -3.99 0.36 -0.13 9.09 -0.71 -1.08 -2.45 117.98 119.07 2eea s PHE 42 Ca 0.33 -0.72 0.01 0.00 -1.04 0.00 0.00 56.93 55.51 2eea s PHE 42 Cb 0.07 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.85 2eea s PHE 42 CO 0.09 -0.74 -0.15 0.99 -1.34 0.00 0.00 175.22 174.07 2eea s THR 43 N -3.96 2.83 -0.21 -4.49 2.01 -0.82 -3.02 115.64 107.98 2eea s THR 43 Ca 0.17 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 2eea s THR 43 Cb 0.03 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 2eea s THR 43 CO -0.00 0.53 0.05 -0.63 -0.69 0.00 0.00 174.62 173.88 2eea s ILE 44 N 0.40 4.38 -0.32 1.82 1.01 -1.13 -2.75 121.20 124.61 2eea s ILE 44 Ca -0.12 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 2eea s ILE 44 Cb -0.16 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.31 2eea s ILE 44 CO 0.06 0.40 1.21 -0.69 0.00 0.00 0.00 174.94 175.92 2eea s VAL 45 N 1.03 4.28 -0.31 2.92 1.01 -0.63 -3.25 120.40 125.45 2eea s VAL 45 Ca 0.03 1.45 0.11 0.00 0.00 0.00 0.00 61.98 63.57 2eea s VAL 45 Cb -0.14 -4.27 0.46 0.00 0.00 0.00 0.00 36.38 32.43 2eea s VAL 45 CO 0.03 -0.51 1.14 0.35 0.00 0.00 0.00 175.10 176.11 2eea n THR 46 N 6.11 2.11 0.13 3.92 -2.24 -1.21 -3.95 114.28 119.15 2eea n THR 46 Ca 0.14 -3.97 -0.00 0.00 -2.27 0.00 0.00 64.05 57.95 2eea n THR 46 Cb 0.47 -0.48 0.26 0.00 -2.10 0.00 0.00 70.33 68.48 2eea n THR 46 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2eea h GLU 47 N 2.41 0.12 -0.95 -0.78 4.11 -1.89 -3.24 114.58 114.36 2eea h GLU 47 Ca 0.21 -0.06 -0.47 0.00 0.07 0.00 0.00 59.36 59.11 2eea h GLU 47 Cb 1.35 -0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.18 2eea h GLU 47 CO 0.63 0.54 -0.91 -3.47 0.07 0.00 0.00 179.01 175.86 2eea n ASP 48 N -4.01 3.67 -0.10 3.06 2.03 -1.26 -4.77 116.55 115.17 2eea n ASP 48 Ca -0.02 -3.24 -0.14 0.00 0.52 0.00 0.00 54.79 51.91 2eea n ASP 48 Cb 0.48 -0.43 -0.09 0.00 -0.72 0.00 0.00 41.12 40.36 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2eea n ALA 49 N -0.52 1.58 0.00 -1.67 0.00 -1.22 -4.55 120.51 114.13 2eea n ALA 49 Ca 0.30 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2eea n ALA 49 Cb 0.82 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.33 2eea n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eea n GLY 50 N 2.51 0.72 3.29 0.00 0.00 -1.26 -4.81 105.19 105.64 2eea n GLY 50 Ca -0.35 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 0.37 0.00 1.61 -1.05 -1.26 -5.08 118.70 113.28 2eea s GLU 51 Ca 0.00 0.96 0.00 0.00 -0.15 0.00 0.00 54.97 55.78 2eea s GLU 51 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 2eea s GLU 51 CO 0.00 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.41 2eea n GLY 52 N 4.93 -0.70 3.14 -3.83 0.00 -1.26 -5.13 105.19 102.33 2eea n GLY 52 Ca -0.15 0.39 0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.25 -1.20 0.24 -0.02 0.00 -1.26 -5.06 107.32 99.77 2eea s GLY 53 Ca 0.00 1.23 -0.07 0.00 0.00 0.00 0.00 44.72 45.89 2eea s GLY 53 CO 0.00 3.83 0.51 -2.27 0.00 0.00 0.00 173.10 175.18 2eea s LEU 54 N 2.68 4.14 0.02 0.66 0.20 -1.26 -3.43 118.68 121.69 2eea s LEU 54 Ca 0.16 0.76 0.00 0.00 0.69 0.00 0.00 54.13 55.74 2eea s LEU 54 Cb -0.06 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.14 2eea s LEU 54 CO -0.22 -0.10 -0.03 -1.81 -0.29 0.00 0.00 176.35 173.90 2eea s ASP 55 N -2.71 0.24 -0.01 3.68 1.01 -0.81 -5.03 116.67 113.02 2eea s ASP 55 Ca 0.45 -0.35 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 2eea s ASP 55 Cb -0.11 0.06 0.01 0.00 1.01 0.00 0.00 42.92 43.89 2eea s ASP 55 CO 0.26 -0.20 0.03 -0.76 0.21 0.00 0.00 175.17 174.71 2eea s LEU 56 N -1.03 1.65 -0.30 1.23 1.02 -1.26 -2.39 118.68 117.60 2eea s LEU 56 Ca -0.11 0.05 -0.10 0.00 0.02 0.00 0.00 54.13 54.00 2eea s LEU 56 Cb -0.07 0.05 0.13 0.00 0.02 0.00 0.00 46.19 46.31 2eea s LEU 56 CO -0.01 -0.05 0.64 0.00 0.02 0.00 0.00 176.35 176.96 2eea s ALA 57 N 0.34 -2.01 -0.11 4.21 0.00 -0.53 -5.04 121.76 118.62 2eea s ALA 57 Ca -0.03 2.33 -0.03 0.00 0.00 0.00 0.00 51.96 54.23 2eea s ALA 57 Cb -0.04 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 2eea s ALA 57 CO -0.01 -0.90 0.01 0.42 0.00 0.00 0.00 175.76 175.28 2eea s ILE 58 N 2.83 4.36 0.42 0.00 1.01 -1.26 -1.15 121.20 127.41 2eea s ILE 58 Ca -0.06 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.44 2eea s ILE 58 Cb -0.12 -2.86 -0.06 0.00 0.01 0.00 0.00 42.46 39.43 2eea s ILE 58 CO -0.19 0.57 0.10 -1.61 0.00 0.00 0.00 174.94 173.81 2eea s GLU 59 N -0.55 2.11 0.00 2.79 0.41 -0.73 -4.56 118.70 118.17 2eea s GLU 59 Ca 0.09 -2.00 0.00 0.00 -0.41 0.00 0.00 54.97 52.65 2eea s GLU 59 Cb -0.12 -1.81 0.00 0.00 -1.78 0.00 0.00 34.13 30.43 2eea s GLU 59 CO 0.02 -0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.08 2eea n GLY 60 N -1.14 0.18 0.00 -1.39 0.00 -1.26 -1.98 105.19 99.60 2eea n GLY 60 Ca -0.04 -1.42 0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 -3.66 1.61 -0.04 -1.26 -4.72 135.00 126.93 2eea n PRO 61 Ca 0.00 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.57 2eea n PRO 61 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -3.00 -0.56 -0.66 3.54 0.15 -1.26 -4.98 113.70 106.92 2eea s SER 62 Ca 0.07 0.96 -0.28 0.00 0.70 0.00 0.00 55.95 57.40 2eea s SER 62 Cb 0.09 0.97 0.03 0.00 -1.71 0.00 0.00 66.02 65.40 2eea s SER 62 CO 0.26 -0.30 1.25 -0.75 1.20 0.00 0.00 173.24 174.90 2eea s LYS 63 N -0.13 3.34 0.11 5.44 2.20 -1.26 -4.86 119.74 124.58 2eea s LYS 63 Ca -0.03 -0.00 -0.21 0.00 -0.36 0.00 0.00 55.97 55.36 2eea s LYS 63 Cb -0.03 -4.11 -0.07 0.00 -1.51 0.00 0.00 37.83 32.11 2eea s LYS 63 CO 0.03 -1.94 0.65 0.00 -0.36 0.00 0.00 175.35 173.73 2eea s ALA 64 N 5.41 3.53 0.58 3.13 0.00 -1.26 -4.97 121.76 128.17 2eea s ALA 64 Ca 0.39 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 2eea s ALA 64 Cb -0.08 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2eea s ALA 64 CO 0.20 0.36 1.05 -1.83 0.00 0.00 0.00 175.76 175.54 2eea s GLU 65 N -1.16 3.41 -0.08 0.00 -1.05 -1.26 -4.78 118.70 113.78 2eea s GLU 65 Ca 0.32 1.20 0.02 0.00 -0.15 0.00 0.00 54.97 56.35 2eea s GLU 65 Cb -0.21 -2.05 0.02 0.00 -0.44 0.00 0.00 34.13 31.45 2eea s GLU 65 CO 0.22 -0.74 -0.11 0.42 0.95 0.00 0.00 175.26 176.00 2eea s ILE 66 N -2.43 1.09 -0.41 1.83 1.01 -1.26 -4.32 121.20 116.71 2eea s ILE 66 Ca 0.63 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.90 2eea s ILE 66 Cb -0.16 -1.03 0.11 0.00 0.01 0.00 0.00 42.46 41.40 2eea s ILE 66 CO 0.35 0.35 0.14 -0.55 0.00 0.00 0.00 174.94 175.23 2eea s SER 67 N 0.93 4.52 0.01 3.58 0.15 -1.07 -5.03 113.70 116.80 2eea s SER 67 Ca -0.10 -2.48 -0.26 0.00 0.70 0.00 0.00 55.95 53.82 2eea s SER 67 Cb -0.15 -1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.53 2eea s SER 67 CO 0.00 -0.32 0.79 0.00 1.20 0.00 0.00 173.24 174.92 2eea s ILE 69 N 0.33 1.02 0.20 0.00 1.01 -1.17 -5.02 121.20 117.57 2eea s ILE 69 Ca 0.41 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 2eea s ILE 69 Cb -0.20 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.25 2eea s ILE 69 CO 0.23 -0.08 0.57 -0.62 0.00 0.00 0.00 174.94 175.04 2eea s ASP 70 N -1.27 6.73 0.31 3.58 2.15 -1.26 -2.32 116.67 124.59 2eea s ASP 70 Ca -0.00 1.03 0.07 0.00 0.43 0.00 0.00 52.55 54.07 2eea s ASP 70 Cb -0.08 -2.27 -0.06 0.00 -0.30 0.00 0.00 42.92 40.21 2eea s ASP 70 CO 0.01 -0.01 -0.05 0.20 -0.17 0.00 0.00 175.17 175.16 2eea s ASN 71 N -2.07 3.01 0.00 -0.34 0.01 -1.02 -4.91 114.94 109.62 2eea s ASN 71 Ca 0.44 -1.23 0.27 0.00 -0.71 0.00 0.00 52.86 51.63 2eea s ASN 71 Cb -0.13 -0.21 0.96 0.00 0.41 0.00 0.00 41.25 42.28 2eea s ASN 71 CO 0.20 -0.35 1.70 1.17 -1.51 0.00 0.00 177.10 178.30 2eea n LYS 72 N -0.67 0.58 -1.13 -0.60 3.00 -1.26 -3.73 118.16 114.35 2eea n LYS 72 Ca -0.05 -0.27 -0.21 0.00 -0.00 0.00 0.00 58.31 57.78 2eea n LYS 72 Cb 0.64 -1.49 0.17 0.00 0.00 0.00 0.00 35.03 34.35 2eea n LYS 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2eea n ASP 73 N -0.98 3.75 -2.43 3.14 8.00 -1.26 -4.88 116.55 121.89 2eea n ASP 73 Ca 0.12 -3.47 -0.14 0.00 0.71 0.00 0.00 54.79 52.01 2eea n ASP 73 Cb 0.31 -0.81 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 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 -0.98 -0.49 3.55 0.44 0.00 -1.24 -4.94 105.19 101.52 2eea n GLY 74 Ca 0.55 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.70 1.03 -0.04 2.61 -4.23 -1.26 -3.30 115.64 107.75 2eea s THR 75 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2eea s THR 75 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2eea s THR 75 CO 0.00 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 173.96 2eea s THR 77 N 0.23 4.17 -0.42 0.00 2.01 -0.98 -2.86 115.64 117.80 2eea s THR 77 Ca -0.05 -2.06 -0.18 0.00 0.31 0.00 0.00 61.69 59.70 2eea s THR 77 Cb -0.11 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.68 2eea s THR 77 CO 0.01 -0.81 0.49 -0.69 -0.69 0.00 0.00 174.62 172.94 2eea s VAL 78 N 1.00 5.02 -0.08 3.82 1.01 -1.17 -3.06 120.40 126.95 2eea s VAL 78 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 2eea s VAL 78 Cb -0.23 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2eea s VAL 78 CO -0.02 -0.44 -0.01 -0.89 0.00 0.00 0.00 175.10 173.74 2eea s THR 79 N 2.32 4.19 0.11 3.92 2.01 -1.17 -2.64 115.64 124.38 2eea s THR 79 Ca 0.15 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 2eea s THR 79 Cb -0.16 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.61 2eea s THR 79 CO 0.15 0.60 0.29 -0.72 -0.69 0.00 0.00 174.62 174.25 2eea s TYR 80 N -0.88 0.01 -0.09 4.92 -0.85 -0.71 -2.60 117.35 117.15 2eea s TYR 80 Ca 0.13 -0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.29 2eea s TYR 80 Cb -0.11 0.08 0.03 0.00 0.38 0.00 0.00 41.96 42.34 2eea s TYR 80 CO 0.02 -0.63 -0.04 -1.17 -1.52 0.00 0.00 175.55 172.22 2eea s LEU 81 N -2.84 0.91 0.44 -3.49 2.96 -1.26 -2.48 118.68 112.92 2eea s LEU 81 Ca 0.05 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.51 2eea s LEU 81 Cb 0.03 -0.66 -0.08 0.00 0.50 0.00 0.00 46.19 45.99 2eea s LEU 81 CO -0.11 -0.15 1.17 -2.16 -1.32 0.00 0.00 176.35 173.78 2eea s PRO 82 N 1.83 3.87 -0.02 0.98 0.04 -1.26 -4.55 135.00 135.88 2eea s PRO 82 Ca 0.05 1.81 0.17 0.00 0.04 0.00 0.00 61.00 63.08 2eea s PRO 82 Cb -0.12 -2.51 -0.27 0.00 0.04 0.00 0.00 34.50 31.64 2eea s PRO 82 CO -0.07 -0.47 0.39 2.41 0.04 0.00 0.00 177.00 179.30 2eea n THR 83 N -0.27 0.00 -3.66 1.26 -1.04 -1.26 -0.70 114.28 108.61 2eea n THR 83 Ca 0.06 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.05 61.54 2eea n THR 83 Cb 0.47 0.14 -0.08 0.00 -1.82 0.00 0.00 70.33 69.04 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 -4.15 -0.14 -0.02 -4.42 1.43 -1.26 -4.75 118.68 105.37 2eea s LEU 84 Ca -0.06 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 2eea s LEU 84 Cb 0.11 1.98 -0.05 0.00 0.03 0.00 0.00 46.19 48.26 2eea s LEU 84 CO 0.72 -0.32 1.47 -2.16 0.23 0.00 0.00 176.35 176.29 2eea s PRO 85 N -0.23 4.25 0.00 1.29 0.04 -1.26 -4.85 135.00 134.23 2eea s PRO 85 Ca -0.04 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2eea s PRO 85 Cb -0.03 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2eea s PRO 85 CO 0.03 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2eea n GLY 86 N 3.78 2.45 3.60 0.56 0.00 -1.24 -4.96 105.19 109.37 2eea n GLY 86 Ca 0.14 -0.63 -0.55 0.00 0.00 0.00 0.00 46.02 44.99 2eea n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2eea n ASP 87 N 0.00 1.45 -4.09 1.61 8.00 -1.26 -4.46 116.55 117.80 2eea n ASP 87 Ca 0.00 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 56.28 2eea n ASP 87 Cb 0.00 -1.13 -0.13 0.00 -0.02 0.00 0.00 41.12 39.84 2eea n ASP 87 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2eea s TYR 88 N 0.93 3.62 -0.78 1.24 2.02 -1.22 -4.37 117.35 118.78 2eea s TYR 88 Ca 0.88 -2.57 -0.25 0.00 -0.37 0.00 0.00 57.07 54.76 2eea s TYR 88 Cb -1.04 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 37.47 2eea s TYR 88 CO 0.52 -0.95 1.77 -1.12 -1.57 0.00 0.00 175.55 174.20 2eea s SER 89 N 1.47 5.48 -0.10 2.29 0.01 -0.84 -3.42 113.70 118.61 2eea s SER 89 Ca 0.08 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 2eea s SER 89 Cb -0.21 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.45 2eea s SER 89 CO -0.05 -2.34 1.06 -0.63 0.41 0.00 0.00 173.24 171.69 2eea s ILE 90 N 8.52 4.65 -0.19 1.44 1.01 -0.03 -1.77 121.20 134.83 2eea s ILE 90 Ca 0.61 1.93 0.01 0.00 0.00 0.00 0.00 60.65 63.20 2eea s ILE 90 Cb -0.08 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.16 2eea s ILE 90 CO 0.09 -0.00 -0.18 -0.76 0.00 0.00 0.00 174.94 174.08 2eea s LEU 91 N 2.09 2.26 -0.06 2.97 1.43 -0.30 -1.20 118.68 125.87 2eea s LEU 91 Ca 0.50 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2eea s LEU 91 Cb -0.20 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2eea s LEU 91 CO 0.19 -0.01 -0.08 -0.69 0.23 0.00 0.00 176.35 175.98 2eea s VAL 92 N 1.29 0.87 0.09 -1.59 1.01 -1.26 -1.45 120.40 119.36 2eea s VAL 92 Ca 0.04 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.81 2eea s VAL 92 Cb -0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2eea s VAL 92 CO -0.12 0.30 -0.25 -0.54 0.00 0.00 0.00 175.10 174.49 2eea s LYS 93 N 0.90 1.48 -0.07 2.72 1.02 -1.00 -3.66 119.74 121.13 2eea s LYS 93 Ca -0.11 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 54.65 2eea s LYS 93 Cb -0.15 -1.81 0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2eea s LYS 93 CO 0.01 0.44 0.12 -0.47 -0.92 0.00 0.00 175.35 174.54 2eea s TYR 94 N -0.97 -0.09 -1.08 3.18 6.14 0.25 -1.93 117.35 122.84 2eea s TYR 94 Ca 0.11 0.48 0.00 0.00 0.64 0.00 0.00 57.07 58.31 2eea s TYR 94 Cb -0.10 -0.34 0.00 0.00 0.42 0.00 0.00 41.96 41.94 2eea s TYR 94 CO 0.04 -0.24 0.00 -1.71 0.64 0.00 0.00 175.55 174.28 2eea n ASN 95 N 5.31 -3.97 -2.13 4.32 5.15 -1.22 -3.14 115.26 119.58 2eea n ASN 95 Ca -0.04 0.01 -0.08 0.00 -0.60 0.00 0.00 54.58 53.86 2eea n ASN 95 Cb 0.50 -3.15 0.04 0.00 -0.53 0.00 0.00 39.78 36.65 2eea n ASN 95 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2eea n ASP 96 N -0.37 -2.08 -3.59 1.20 9.92 -1.26 -5.05 116.55 115.32 2eea n ASP 96 Ca -0.15 -0.29 -0.10 0.00 -0.53 0.00 0.00 54.79 53.72 2eea n ASP 96 Cb 0.60 -2.66 -0.05 0.00 -0.64 0.00 0.00 41.12 38.37 2eea n ASP 96 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2eea s LYS 97 N -4.67 0.57 -0.09 -1.24 0.00 -1.19 -5.14 119.74 107.99 2eea s LYS 97 Ca 0.01 0.23 -0.27 0.00 0.00 0.00 0.00 55.97 55.93 2eea s LYS 97 Cb -0.00 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 38.07 2eea s LYS 97 CO 0.34 -0.16 0.89 -1.01 0.00 0.00 0.00 175.35 175.41 2eea s HIS 98 N -0.85 3.54 0.78 1.78 3.76 -1.26 -0.59 115.29 122.45 2eea s HIS 98 Ca -0.01 1.47 -0.13 0.00 -0.15 0.00 0.00 55.06 56.24 2eea s HIS 98 Cb -0.01 -3.05 0.07 0.00 1.11 0.00 0.00 32.58 30.70 2eea s HIS 98 CO -0.00 -0.11 1.15 0.96 -0.85 0.00 0.00 174.74 175.89 2eea s ILE 99 N 1.53 2.61 -0.31 0.60 -4.36 -1.24 -4.92 121.20 115.11 2eea s ILE 99 Ca 0.45 0.25 -0.29 0.00 -0.26 0.00 0.00 60.65 60.80 2eea s ILE 99 Cb -0.18 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.87 2eea s ILE 99 CO 0.19 -0.21 1.68 -2.16 0.24 0.00 0.00 174.94 174.68 2eea s PRO 100 N -4.36 3.51 0.00 0.37 0.04 -1.26 -2.60 135.00 130.70 2eea s PRO 100 Ca 0.68 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2eea s PRO 100 Cb -0.23 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2eea s PRO 100 CO 0.50 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 176.31 2eea n GLY 101 N 5.16 1.65 3.96 0.56 0.00 -1.26 -4.91 105.19 110.35 2eea n GLY 101 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 2eea n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eea s SER 102 N -1.82 6.17 0.61 1.61 0.01 -1.07 -4.20 113.70 115.01 2eea s SER 102 Ca 0.00 -0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 2eea s SER 102 Cb 0.00 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 2eea s SER 102 CO 0.00 -0.15 1.12 -2.16 0.41 0.00 0.00 173.24 172.46 2eea s PRO 103 N -4.01 3.02 0.34 12.44 0.04 -1.26 -4.90 135.00 140.67 2eea s PRO 103 Ca 0.36 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 2eea s PRO 103 Cb -0.09 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2eea s PRO 103 CO 0.29 -1.09 0.61 -0.06 0.04 0.00 0.00 177.00 176.80 2eea s PHE 104 N -2.12 3.49 -0.18 0.56 0.08 -0.34 -4.86 117.98 114.61 2eea s PHE 104 Ca 0.69 0.70 0.01 0.00 0.12 0.00 0.00 56.93 58.45 2eea s PHE 104 Cb -0.22 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.10 2eea s PHE 104 CO 0.36 0.07 -0.15 0.99 -0.10 0.00 0.00 175.22 176.39 2eea s THR 105 N -2.23 1.81 -0.31 0.64 2.01 -1.26 -0.85 115.64 115.44 2eea s THR 105 Ca 0.45 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.44 2eea s THR 105 Cb -0.10 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 70.67 2eea s THR 105 CO 0.32 0.38 0.15 0.00 -0.69 0.00 0.00 174.62 174.78 2eea s ALA 106 N 1.36 3.26 -1.07 7.40 0.00 -1.13 -4.48 121.76 127.10 2eea s ALA 106 Ca 0.02 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.35 2eea s ALA 106 Cb -0.14 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.66 2eea s ALA 106 CO -0.10 -0.93 1.50 0.21 0.00 0.00 0.00 175.76 176.43 2eea s LYS 107 N 1.60 3.67 0.17 0.00 2.20 -0.04 -3.45 119.74 123.89 2eea s LYS 107 Ca 0.04 -1.31 -0.11 0.00 -0.36 0.00 0.00 55.97 54.22 2eea s LYS 107 Cb -0.17 -5.38 -0.07 0.00 -1.51 0.00 0.00 37.83 30.70 2eea s LYS 107 CO 0.06 -2.21 0.52 0.42 -0.36 0.00 0.00 175.35 173.78 2eea s ILE 108 N 4.76 4.93 0.32 5.43 1.01 -1.26 -3.08 121.20 133.31 2eea s ILE 108 Ca 0.47 0.61 0.01 0.00 0.00 0.00 0.00 60.65 61.74 2eea s ILE 108 Cb 0.01 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 2eea s ILE 108 CO -0.06 0.12 0.05 0.35 0.00 0.00 0.00 174.94 175.39 2eea n THR 109 N 0.42 0.00 -4.03 2.92 -2.24 -1.06 -3.62 114.28 106.68 2eea n THR 109 Ca -0.03 -1.67 -0.28 0.00 -2.27 0.00 0.00 64.05 59.80 2eea n THR 109 Cb 0.52 0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 2eea n THR 109 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2eea s ASP 110 N -2.85 5.79 0.14 3.42 -4.77 -1.26 -0.88 116.67 116.26 2eea s ASP 110 Ca 0.07 0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.33 2eea s ASP 110 Cb 0.00 -1.61 0.00 0.00 -1.09 0.00 0.00 42.92 40.22 2eea s ASP 110 CO 0.05 0.11 0.00 -0.67 0.70 0.00 0.00 175.17 175.36 2eea n ASP 111 N -0.08 0.11 -4.53 2.11 2.03 -1.26 -4.90 116.55 110.03 2eea n ASP 111 Ca -0.08 0.24 -0.14 0.00 0.52 0.00 0.00 54.79 55.33 2eea n ASP 111 Cb 0.53 0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.96 2eea n ASP 111 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2eea n SER 112 N -3.08 1.07 -4.35 1.67 3.41 -1.26 -4.84 113.62 106.24 2eea n SER 112 Ca 0.00 -1.66 -0.46 0.00 -0.26 0.00 0.00 58.87 56.49 2eea n SER 112 Cb 0.00 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.42 2eea n SER 112 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2eea s ARG 113 N 8.38 3.36 0.66 4.33 6.06 -1.26 -5.05 118.95 135.43 2eea s ARG 113 Ca 0.89 -2.00 -0.16 0.00 -2.50 0.00 0.00 55.73 51.96 2eea s ARG 113 Cb -0.18 -4.43 0.00 0.00 0.06 0.00 0.00 34.95 30.40 2eea s ARG 113 CO 0.16 -1.40 1.13 0.50 -2.50 0.00 0.00 175.30 173.20 2eea s ARG 114 N 1.24 2.73 0.00 5.12 6.06 -1.26 -5.32 118.95 127.53 2eea s ARG 114 Ca 0.15 1.49 0.00 0.00 -2.50 0.00 0.00 55.73 54.87 2eea s ARG 114 Cb -0.17 -1.93 0.00 0.00 0.06 0.00 0.00 34.95 32.91 2eea s ARG 114 CO -0.03 -1.32 0.24 0.00 -2.50 0.00 0.00 175.30 171.68