#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 -4.49 -4.95 1.61 7.64 -1.26 -5.02 113.62 107.15 2eea n SER 2 Ca 0.00 -0.40 -0.23 0.00 1.01 0.00 0.00 58.87 59.25 2eea n SER 2 Cb 0.00 -3.78 0.03 0.00 -1.01 0.00 0.00 64.21 59.45 2eea n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eea s SER 3 N -3.39 5.44 0.00 6.43 0.15 -1.26 -4.93 113.70 116.14 2eea s SER 3 Ca 0.33 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2eea s SER 3 Cb -0.15 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 2eea s SER 3 CO 0.53 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.54 2eea n GLY 4 N -2.35 0.23 4.31 9.45 0.00 -1.26 -5.01 105.19 110.57 2eea n GLY 4 Ca 0.05 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2eea n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eea n SER 5 N 0.00 -2.39 -3.70 1.61 3.41 -1.26 -4.92 113.62 106.37 2eea n SER 5 Ca 0.00 -1.10 -0.12 0.00 -0.26 0.00 0.00 58.87 57.39 2eea n SER 5 Cb 0.00 -2.36 -0.13 0.00 -0.26 0.00 0.00 64.21 61.47 2eea n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eea s SER 6 N -3.43 -0.13 -0.41 4.04 0.01 -1.26 -5.11 113.70 107.42 2eea s SER 6 Ca 0.67 0.60 0.01 0.00 1.31 0.00 0.00 55.95 58.55 2eea s SER 6 Cb -0.38 0.56 0.14 0.00 0.21 0.00 0.00 66.02 66.55 2eea s SER 6 CO 0.96 -0.19 0.24 -0.83 0.41 0.00 0.00 173.24 173.83 2eea s GLY 7 N 1.64 1.32 0.90 3.44 0.00 -1.26 -5.13 107.32 108.22 2eea s GLY 7 Ca -0.06 -2.31 -0.12 0.00 0.00 0.00 0.00 44.72 42.24 2eea s GLY 7 CO -0.09 1.81 1.09 2.56 0.00 0.00 0.00 173.10 178.47 2eea s PRO 8 N 0.58 1.25 -0.58 2.90 0.04 -1.26 -4.83 135.00 133.10 2eea s PRO 8 Ca 0.19 0.82 -0.35 0.00 0.04 0.00 0.00 61.00 61.70 2eea s PRO 8 Cb -0.21 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 2eea s PRO 8 CO -0.02 -2.25 2.35 0.39 0.04 0.00 0.00 177.00 177.52 2eea n GLU 9 N -3.89 0.53 -2.78 4.56 -0.58 -1.26 -4.89 120.64 112.34 2eea n GLU 9 Ca 0.07 0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.58 2eea n GLU 9 Cb 0.55 -2.12 -0.06 0.00 -0.57 0.00 0.00 31.44 29.24 2eea n GLU 9 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2eea s SER 10 N 8.19 6.90 1.18 1.62 1.04 -1.26 -5.06 113.70 126.30 2eea s SER 10 Ca 1.18 1.74 -0.15 0.00 0.48 0.00 0.00 55.95 59.20 2eea s SER 10 Cb -1.02 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 62.77 2eea s SER 10 CO 0.50 -0.39 0.78 -0.81 0.98 0.00 0.00 173.24 174.30 2eea n PRO 11 N -0.55 -2.55 -2.86 4.02 -0.04 -1.26 -5.07 135.00 126.69 2eea n PRO 11 Ca 0.07 -1.24 -0.20 0.00 -0.04 0.00 0.00 63.50 62.08 2eea n PRO 11 Cb 0.53 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 2eea n PRO 11 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2eea s LEU 12 N 0.00 3.49 0.28 1.53 1.43 -1.26 -5.05 118.68 119.10 2eea s LEU 12 Ca 0.51 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.26 2eea s LEU 12 Cb -0.05 -2.87 -0.11 0.00 0.03 0.00 0.00 46.19 43.19 2eea s LEU 12 CO 0.39 -0.91 1.51 -1.58 0.23 0.00 0.00 176.35 175.99 2eea s GLN 13 N -4.58 4.19 0.54 1.70 2.00 -1.26 -4.95 119.66 117.31 2eea s GLN 13 Ca 0.54 2.45 -0.21 0.00 -2.00 0.00 0.00 55.36 56.13 2eea s GLN 13 Cb -0.10 -3.06 -0.05 0.00 0.80 0.00 0.00 33.01 30.60 2eea s GLN 13 CO 0.37 -0.52 1.32 -0.06 -0.50 0.00 0.00 175.29 175.89 2eea s PHE 14 N -0.08 2.35 1.03 1.67 0.08 -1.26 -4.95 117.98 116.82 2eea s PHE 14 Ca 0.61 1.41 -0.18 0.00 0.12 0.00 0.00 56.93 58.89 2eea s PHE 14 Cb -0.45 -3.72 -0.00 0.00 -0.57 0.00 0.00 43.02 38.28 2eea s PHE 14 CO 0.47 -2.67 -0.23 2.48 -0.10 0.00 0.00 175.22 175.16 2eea n TYR 15 N -1.06 -2.02 -2.19 0.36 0.18 -1.26 -4.87 117.16 106.30 2eea n TYR 15 Ca 0.11 0.22 -0.41 0.00 1.88 0.00 0.00 57.90 59.70 2eea n TYR 15 Cb 0.46 -1.59 -0.03 0.00 -0.38 0.00 0.00 39.34 37.81 2eea n TYR 15 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2eea s VAL 16 N -2.22 2.89 0.49 -3.48 1.01 -1.26 -5.04 120.40 112.80 2eea s VAL 16 Ca 0.51 0.89 0.05 0.00 0.00 0.00 0.00 61.98 63.42 2eea s VAL 16 Cb -0.12 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 2eea s VAL 16 CO 0.69 0.21 0.23 0.20 0.00 0.00 0.00 175.10 176.43 2eea s ASN 17 N -0.52 4.45 -0.02 3.32 0.01 -1.26 -5.16 114.94 115.76 2eea s ASN 17 Ca 0.48 -1.29 -0.21 0.00 -0.71 0.00 0.00 52.86 51.14 2eea s ASN 17 Cb -0.38 0.14 0.04 0.00 0.41 0.00 0.00 41.25 41.46 2eea s ASN 17 CO 0.50 -0.86 0.44 -0.31 -1.51 0.00 0.00 177.10 175.36 2eea s TYR 18 N -2.74 -0.35 1.07 2.20 1.51 -1.26 -5.17 117.35 112.61 2eea s TYR 18 Ca 0.29 0.56 -0.14 0.00 -1.01 0.00 0.00 57.07 56.77 2eea s TYR 18 Cb 0.01 0.21 0.22 0.00 -0.11 0.00 0.00 41.96 42.29 2eea s TYR 18 CO 0.17 -0.48 1.10 -1.25 -1.11 0.00 0.00 175.55 173.98 2eea s PRO 19 N -1.35 -0.14 0.06 -1.71 0.04 -1.26 -5.09 135.00 125.55 2eea s PRO 19 Ca -0.12 0.32 -0.00 0.00 0.04 0.00 0.00 61.00 61.24 2eea s PRO 19 Cb -0.03 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2eea s PRO 19 CO 0.06 -3.07 -0.04 0.54 0.04 0.00 0.00 177.00 174.53 2eea s ASN 20 N -3.58 0.60 -0.15 6.66 2.20 -1.26 -5.09 114.94 114.32 2eea s ASN 20 Ca 0.67 -0.92 -0.11 0.00 -0.94 0.00 0.00 52.86 51.56 2eea s ASN 20 Cb -0.16 0.16 -0.04 0.00 -2.00 0.00 0.00 41.25 39.21 2eea s ASN 20 CO 0.57 -0.52 -0.22 -0.24 -2.94 0.00 0.00 177.10 173.75 2eea n SER 21 N 0.31 1.78 -0.16 3.54 2.88 -1.26 -5.11 113.62 115.61 2eea n SER 21 Ca -0.15 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 2eea n SER 21 Cb 0.60 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 1.58 -0.10 3.59 0.46 0.00 -1.26 -5.15 105.19 104.31 2eea n GLY 22 Ca -0.09 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -0.16 -0.27 1.61 0.15 -1.26 -5.02 113.70 108.75 2eea s SER 23 Ca 0.00 0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.63 2eea s SER 23 Cb 0.00 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 2eea s SER 23 CO 0.00 -0.27 -0.02 -0.69 1.20 0.00 0.00 173.24 173.46 2eea s VAL 24 N -2.46 3.08 -0.10 4.45 1.01 -1.26 -4.45 120.40 120.66 2eea s VAL 24 Ca 0.09 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2eea s VAL 24 Cb -0.01 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2eea s VAL 24 CO -0.05 0.10 -0.10 -0.44 0.00 0.00 0.00 175.10 174.61 2eea s SER 25 N 1.34 4.33 -0.10 3.32 0.01 -1.26 -4.30 113.70 117.04 2eea s SER 25 Ca -0.01 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2eea s SER 25 Cb -0.17 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 2eea s SER 25 CO -0.03 0.25 -0.09 0.00 0.41 0.00 0.00 173.24 173.79 2eea s ALA 26 N -0.14 2.85 -0.02 1.44 0.00 -1.26 -3.00 121.76 121.63 2eea s ALA 26 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 2eea s ALA 26 Cb -0.13 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.77 2eea s ALA 26 CO 0.03 0.42 0.39 1.52 0.00 0.00 0.00 175.76 178.12 2eea s TYR 27 N -0.30 -0.29 0.00 0.00 1.13 -1.01 -5.06 117.35 111.83 2eea s TYR 27 Ca 0.04 0.47 0.00 0.00 -1.41 0.00 0.00 57.07 56.16 2eea s TYR 27 Cb -0.13 0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 2eea s TYR 27 CO 0.03 -0.43 0.00 0.41 -2.51 0.00 0.00 175.55 173.04 2eea n GLY 28 N 1.24 3.68 0.00 5.49 0.00 -1.26 -1.41 105.19 112.92 2eea n GLY 28 Ca -0.21 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.41 0.40 0.07 1.61 -0.04 -1.26 -2.34 135.00 132.03 2eea n PRO 29 Ca 0.00 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.59 2eea n PRO 29 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.35 0.13 0.55 0.00 -1.24 -3.66 105.19 99.58 2eea n GLY 30 Ca 0.10 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.66 2.64 -0.08 0.99 4.77 -0.99 -4.45 117.00 117.22 2eea n LEU 31 Ca -0.03 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 2eea n LEU 31 Cb 0.61 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2eea n LEU 31 CO 0.41 0.87 0.93 0.58 -1.33 0.00 0.00 177.39 178.86 2eea h VAL 32 N 0.02 1.13 -2.56 4.08 2.07 -1.72 -2.93 116.25 116.34 2eea h VAL 32 Ca -0.52 -0.36 0.13 0.00 0.82 0.00 0.00 66.70 66.77 2eea h VAL 32 Cb 1.97 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 2eea h VAL 32 CO -0.02 0.13 0.46 -0.72 0.02 0.00 0.00 177.57 177.44 2eea s TYR 33 N -5.82 -0.04 0.10 1.57 -0.85 -1.24 -1.54 117.35 109.53 2eea s TYR 33 Ca -0.13 -0.36 -0.05 0.00 -0.52 0.00 0.00 57.07 56.00 2eea s TYR 33 Cb 0.09 0.69 0.02 0.00 0.38 0.00 0.00 41.96 43.14 2eea s TYR 33 CO 0.72 -1.01 0.28 0.41 -1.52 0.00 0.00 175.55 174.43 2eea n GLY 34 N -0.54 1.44 3.13 5.49 0.00 -1.20 -4.14 105.19 109.38 2eea n GLY 34 Ca -0.05 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.60 0.93 0.31 1.61 1.01 -1.26 -2.07 120.40 118.33 2eea s VAL 35 Ca 0.06 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 2eea s VAL 35 Cb -0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 36.38 35.33 2eea s VAL 35 CO 0.03 -0.24 1.58 0.00 0.00 0.00 0.00 175.10 176.47 2eea s ALA 36 N -1.25 3.72 -1.39 5.51 0.00 -0.15 -2.59 121.76 125.62 2eea s ALA 36 Ca -0.04 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.51 2eea s ALA 36 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2eea s ALA 36 CO 0.02 -1.02 0.48 0.09 0.00 0.00 0.00 175.76 175.33 2eea n ASN 37 N 1.83 -0.50 -3.84 0.00 5.03 -0.86 -4.75 115.26 112.17 2eea n ASN 37 Ca 0.07 -0.97 -0.12 0.00 0.87 0.00 0.00 54.58 54.43 2eea n ASN 37 Cb 0.38 -3.26 -0.12 0.00 -1.02 0.00 0.00 39.78 35.76 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 -6.44 0.19 0.45 3.52 -0.14 -1.07 -5.00 119.74 111.26 2eea s LYS 38 Ca 0.01 0.05 -0.25 0.00 -1.36 0.00 0.00 55.97 54.42 2eea s LYS 38 Cb -0.01 0.09 -0.08 0.00 -1.68 0.00 0.00 37.83 36.15 2eea s LYS 38 CO 0.87 -0.03 1.44 0.95 -0.76 0.00 0.00 175.35 177.82 2eea s THR 39 N -0.21 2.04 -0.28 2.17 -4.23 -1.26 -4.22 115.64 109.65 2eea s THR 39 Ca -0.03 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 2eea s THR 39 Cb -0.02 -3.02 0.17 0.00 1.34 0.00 0.00 72.50 70.97 2eea s THR 39 CO 0.00 0.00 0.53 0.00 -0.54 0.00 0.00 174.62 174.61 2eea s ALA 40 N -1.19 -1.88 0.10 3.99 0.00 -1.01 -4.88 121.76 116.89 2eea s ALA 40 Ca 0.61 1.52 0.05 0.00 0.00 0.00 0.00 51.96 54.15 2eea s ALA 40 Cb -0.44 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 2eea s ALA 40 CO 0.57 -1.32 -0.14 -0.08 0.00 0.00 0.00 175.76 174.79 2eea s THR 41 N 2.76 1.22 0.34 0.00 -1.32 -1.26 -2.19 115.64 115.18 2eea s THR 41 Ca 0.18 -1.51 0.05 0.00 -1.21 0.00 0.00 61.69 59.20 2eea s THR 41 Cb -0.15 -1.30 -0.07 0.00 -1.51 0.00 0.00 72.50 69.47 2eea s THR 41 CO -0.19 -0.32 0.04 0.72 -2.21 0.00 0.00 174.62 172.65 2eea s PHE 42 N -1.71 2.07 -0.07 9.09 -0.71 -1.10 -3.69 117.98 121.86 2eea s PHE 42 Ca 0.03 -0.88 0.02 0.00 -1.04 0.00 0.00 56.93 55.07 2eea s PHE 42 Cb -0.07 -1.36 -0.02 0.00 -1.21 0.00 0.00 43.02 40.35 2eea s PHE 42 CO 0.02 0.12 -0.14 0.99 -1.34 0.00 0.00 175.22 174.87 2eea s THR 43 N -3.16 3.04 0.16 -4.49 2.01 -0.50 -3.35 115.64 109.36 2eea s THR 43 Ca 0.36 -0.71 0.10 0.00 0.31 0.00 0.00 61.69 61.74 2eea s THR 43 Cb 0.08 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2eea s THR 43 CO 0.16 0.57 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.81 2eea s ILE 44 N -0.39 2.06 -0.84 1.82 1.01 -1.06 -2.40 121.20 121.40 2eea s ILE 44 Ca 0.04 -1.90 -0.04 0.00 0.00 0.00 0.00 60.65 58.76 2eea s ILE 44 Cb -0.12 -1.93 0.21 0.00 0.01 0.00 0.00 42.46 40.63 2eea s ILE 44 CO 0.02 -0.16 0.73 -0.69 0.00 0.00 0.00 174.94 174.84 2eea s VAL 45 N -1.68 4.46 -1.35 2.92 1.01 -1.16 -2.19 120.40 122.40 2eea s VAL 45 Ca 0.16 -3.50 -0.17 0.00 0.00 0.00 0.00 61.98 58.48 2eea s VAL 45 Cb -0.08 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2eea s VAL 45 CO 0.08 -1.04 1.95 0.41 0.00 0.00 0.00 175.10 176.50 2eea n THR 46 N 2.77 3.63 -0.03 3.92 -1.04 -0.99 -4.40 114.28 118.15 2eea n THR 46 Ca 0.18 -3.53 -0.14 0.00 -2.04 0.00 0.00 64.05 58.52 2eea n THR 46 Cb 0.38 -2.45 -0.14 0.00 -1.82 0.00 0.00 70.33 66.30 2eea n THR 46 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2eea n GLU 47 N 7.40 0.68 -1.96 -2.82 -0.58 -1.26 -4.42 120.64 117.68 2eea n GLU 47 Ca 0.50 0.23 -0.11 0.00 -0.42 0.00 0.00 57.16 57.37 2eea n GLU 47 Cb 0.43 -1.71 0.06 0.00 -0.57 0.00 0.00 31.44 29.65 2eea n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2eea n ASP 48 N -3.18 3.27 -3.88 1.62 2.03 -1.26 -4.93 116.55 110.22 2eea n ASP 48 Ca -0.27 -3.20 -0.28 0.00 0.52 0.00 0.00 54.79 51.56 2eea n ASP 48 Cb 1.06 -0.40 -0.12 0.00 -0.72 0.00 0.00 41.12 40.94 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2eea s ALA 49 N -3.32 3.68 -0.35 -1.67 0.00 -1.26 -4.77 121.76 114.07 2eea s ALA 49 Ca 0.42 -3.74 0.15 0.00 0.00 0.00 0.00 51.96 48.78 2eea s ALA 49 Cb 0.38 -2.15 0.42 0.00 0.00 0.00 0.00 23.12 21.78 2eea s ALA 49 CO -0.01 -2.09 1.01 0.41 0.00 0.00 0.00 175.76 175.08 2eea n GLY 50 N 2.10 1.76 1.82 0.00 0.00 -1.26 -4.90 105.19 104.72 2eea n GLY 50 Ca 0.19 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 2eea n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eea n GLU 51 N -0.09 3.60 -3.99 1.61 1.02 -1.26 -4.92 120.64 116.61 2eea n GLU 51 Ca 0.09 -3.08 -0.33 0.00 -0.02 0.00 0.00 57.16 53.82 2eea n GLU 51 Cb 0.79 -2.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2eea n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2eea n GLY 52 N -0.21 -0.46 2.50 0.62 0.00 -1.26 -4.87 105.19 101.50 2eea n GLY 52 Ca 0.38 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 46.37 2eea n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eea n GLY 53 N -1.33 1.40 3.51 -0.02 0.00 -1.26 -5.00 105.19 102.49 2eea n GLY 53 Ca 0.06 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2eea n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eea s LEU 54 N -1.14 4.67 -0.30 0.99 2.96 -1.26 0.21 118.68 124.81 2eea s LEU 54 Ca 0.33 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2eea s LEU 54 Cb 0.22 -2.52 0.04 0.00 0.50 0.00 0.00 46.19 44.43 2eea s LEU 54 CO -0.17 -0.62 0.02 -1.81 -1.32 0.00 0.00 176.35 172.45 2eea s ASP 55 N 1.86 4.92 -0.09 3.68 1.11 0.54 -5.02 116.67 123.67 2eea s ASP 55 Ca 0.16 -1.12 0.02 0.00 0.18 0.00 0.00 52.55 51.79 2eea s ASP 55 Cb -0.16 -1.76 -0.02 0.00 1.07 0.00 0.00 42.92 42.06 2eea s ASP 55 CO 0.15 -0.25 -0.16 -0.22 1.18 0.00 0.00 175.17 175.87 2eea s LEU 56 N 1.32 2.59 -0.18 1.23 2.96 -1.26 -0.84 118.68 124.50 2eea s LEU 56 Ca -0.03 -0.32 -0.21 0.00 -0.22 0.00 0.00 54.13 53.35 2eea s LEU 56 Cb -0.19 -1.54 0.06 0.00 0.50 0.00 0.00 46.19 45.01 2eea s LEU 56 CO -0.00 0.24 0.57 0.00 -1.32 0.00 0.00 176.35 175.84 2eea s ALA 57 N -0.13 -1.42 -0.02 5.97 0.00 -0.51 -5.04 121.76 120.60 2eea s ALA 57 Ca -0.02 1.49 0.05 0.00 0.00 0.00 0.00 51.96 53.48 2eea s ALA 57 Cb -0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 2eea s ALA 57 CO 0.04 -0.28 -0.16 0.42 0.00 0.00 0.00 175.76 175.77 2eea s ILE 58 N -0.01 1.29 0.38 0.00 1.01 -1.26 -0.31 121.20 122.29 2eea s ILE 58 Ca -0.02 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2eea s ILE 58 Cb -0.04 -1.09 -0.07 0.00 0.01 0.00 0.00 42.46 41.27 2eea s ILE 58 CO 0.02 0.37 0.03 -1.61 0.00 0.00 0.00 174.94 173.75 2eea s GLU 59 N -0.21 1.84 0.00 2.79 0.41 0.36 -4.83 118.70 119.07 2eea s GLU 59 Ca 0.02 -2.04 0.00 0.00 -0.41 0.00 0.00 54.97 52.55 2eea s GLU 59 Cb -0.08 -1.36 0.00 0.00 -1.78 0.00 0.00 34.13 30.91 2eea s GLU 59 CO 0.00 -0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.09 2eea n GLY 60 N -0.86 -0.97 0.15 -1.39 0.00 -1.26 -0.18 105.19 100.68 2eea n GLY 60 Ca -0.04 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.93 2eea n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eea h PRO 61 N 0.00 0.00 -2.68 1.61 0.13 -1.91 -3.44 132.00 125.71 2eea h PRO 61 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2eea h PRO 61 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 2eea h PRO 61 CO 0.00 0.00 -0.15 0.45 -0.23 0.00 0.00 178.00 178.07 2eea s SER 62 N -4.44 -0.39 0.09 1.44 0.15 -1.26 -5.02 113.70 104.27 2eea s SER 62 Ca 0.04 0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.89 2eea s SER 62 Cb 0.09 0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 64.92 2eea s SER 62 CO 0.41 -0.38 1.21 -0.75 1.20 0.00 0.00 173.24 174.93 2eea s LYS 63 N -0.75 4.44 -0.06 5.44 2.47 -1.26 -4.84 119.74 125.18 2eea s LYS 63 Ca -0.08 1.81 0.03 0.00 -1.56 0.00 0.00 55.97 56.16 2eea s LYS 63 Cb -0.03 -3.32 0.01 0.00 -1.46 0.00 0.00 37.83 33.03 2eea s LYS 63 CO 0.04 -0.22 -0.14 0.00 0.16 0.00 0.00 175.35 175.19 2eea s ALA 64 N 0.81 1.37 0.79 3.13 0.00 -1.26 -4.73 121.76 121.86 2eea s ALA 64 Ca 0.58 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 2eea s ALA 64 Cb -0.31 -0.56 0.07 0.00 0.00 0.00 0.00 23.12 22.33 2eea s ALA 64 CO 0.31 0.16 1.13 -1.21 0.00 0.00 0.00 175.76 176.16 2eea s GLU 65 N 0.48 1.91 -0.11 0.00 8.01 -1.26 -4.92 118.70 122.81 2eea s GLU 65 Ca -0.12 1.44 -0.01 0.00 0.01 0.00 0.00 54.97 56.29 2eea s GLU 65 Cb -0.15 -1.84 0.03 0.00 -4.31 0.00 0.00 34.13 27.86 2eea s GLU 65 CO 0.04 -1.95 -0.06 0.42 0.01 0.00 0.00 175.26 173.72 2eea s ILE 66 N -2.56 0.87 -1.00 -1.63 1.01 -1.26 -3.78 121.20 112.85 2eea s ILE 66 Ca 0.66 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 2eea s ILE 66 Cb -0.22 -0.93 0.29 0.00 0.01 0.00 0.00 42.46 41.61 2eea s ILE 66 CO 0.52 0.33 1.27 -0.24 0.00 0.00 0.00 174.94 176.82 2eea n SER 67 N 4.99 5.73 -4.78 3.58 2.88 0.65 -4.99 113.62 121.67 2eea n SER 67 Ca -0.11 -3.35 -0.35 0.00 -1.33 0.00 0.00 58.87 53.72 2eea n SER 67 Cb 0.50 -1.17 -0.01 0.00 -0.75 0.00 0.00 64.21 62.78 2eea n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eea s ILE 69 N -1.75 -0.09 -0.20 0.00 1.01 0.10 -4.99 121.20 115.28 2eea s ILE 69 Ca 0.68 0.27 -0.29 0.00 0.00 0.00 0.00 60.65 61.31 2eea s ILE 69 Cb -0.23 -0.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 2eea s ILE 69 CO 0.27 0.06 1.16 -0.62 0.00 0.00 0.00 174.94 175.81 2eea s ASP 70 N 2.16 7.02 -0.09 3.58 2.15 -1.26 -2.76 116.67 127.46 2eea s ASP 70 Ca 0.04 1.54 -0.02 0.00 0.43 0.00 0.00 52.55 54.54 2eea s ASP 70 Cb -0.13 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.92 2eea s ASP 70 CO -0.05 -0.72 0.01 0.20 -0.17 0.00 0.00 175.17 174.44 2eea s ASN 71 N 1.61 5.26 -0.09 -0.34 0.01 -1.25 -4.99 114.94 115.16 2eea s ASN 71 Ca 0.50 0.14 0.07 0.00 -0.71 0.00 0.00 52.86 52.86 2eea s ASN 71 Cb -0.18 -1.51 0.37 0.00 0.41 0.00 0.00 41.25 40.33 2eea s ASN 71 CO 0.10 0.37 1.13 0.29 -1.51 0.00 0.00 177.10 177.48 2eea n LYS 72 N 2.22 2.62 -0.09 -0.60 5.02 -1.26 -3.77 118.16 122.30 2eea n LYS 72 Ca -0.19 -1.44 0.12 0.00 -2.02 0.00 0.00 58.31 54.79 2eea n LYS 72 Cb 0.54 -1.73 0.29 0.00 -0.02 0.00 0.00 35.03 34.10 2eea n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2eea n ASP 73 N 0.35 2.50 0.00 4.39 2.03 -1.26 -4.92 116.55 119.63 2eea n ASP 73 Ca 0.13 -1.83 0.00 0.00 0.52 0.00 0.00 54.79 53.61 2eea n ASP 73 Cb 0.61 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2eea n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2eea n GLY 74 N 1.31 3.49 2.73 0.27 0.00 -1.25 -5.04 105.19 106.69 2eea n GLY 74 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 2eea n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2eea n THR 75 N -1.96 0.00 -3.96 2.61 -2.24 -1.26 -2.34 114.28 105.12 2eea n THR 75 Ca 0.00 -1.49 -0.09 0.00 -2.27 0.00 0.00 64.05 60.20 2eea n THR 75 Cb 0.00 -0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 67.79 2eea n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2eea s THR 77 N -1.54 1.71 -0.27 0.00 2.01 -1.11 -2.56 115.64 113.87 2eea s THR 77 Ca -0.15 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.15 2eea s THR 77 Cb -0.09 -1.58 0.07 0.00 0.01 0.00 0.00 72.50 70.91 2eea s THR 77 CO -0.01 0.48 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.65 2eea s VAL 78 N 1.43 1.97 0.05 3.82 1.01 -1.21 -0.73 120.40 126.75 2eea s VAL 78 Ca 0.05 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.41 2eea s VAL 78 Cb -0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2eea s VAL 78 CO -0.11 -0.17 0.02 -0.89 0.00 0.00 0.00 175.10 173.94 2eea s THR 79 N 1.16 4.19 0.13 3.92 2.01 -1.21 -2.71 115.64 123.14 2eea s THR 79 Ca -0.04 -0.79 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 2eea s THR 79 Cb -0.19 -2.96 0.05 0.00 0.01 0.00 0.00 72.50 69.41 2eea s THR 79 CO -0.07 0.22 0.48 -0.72 -0.69 0.00 0.00 174.62 173.84 2eea s TYR 80 N -1.25 -0.33 -0.17 4.92 1.13 -0.93 -0.26 117.35 120.46 2eea s TYR 80 Ca 0.24 0.08 -0.00 0.00 -1.41 0.00 0.00 57.07 55.98 2eea s TYR 80 Cb -0.12 0.37 0.04 0.00 -1.10 0.00 0.00 41.96 41.15 2eea s TYR 80 CO 0.16 -0.75 -0.07 -1.17 -2.51 0.00 0.00 175.55 171.21 2eea s LEU 81 N -2.72 1.79 0.69 -3.49 2.96 -1.25 -2.39 118.68 114.27 2eea s LEU 81 Ca 0.02 -0.71 -0.14 0.00 -0.22 0.00 0.00 54.13 53.08 2eea s LEU 81 Cb 0.01 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.70 2eea s LEU 81 CO -0.12 -0.17 1.11 -2.16 -1.32 0.00 0.00 176.35 173.69 2eea s PRO 82 N 1.56 2.67 -0.12 0.98 0.04 -1.26 -4.36 135.00 134.51 2eea s PRO 82 Ca 0.01 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.46 2eea s PRO 82 Cb -0.15 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 2eea s PRO 82 CO -0.08 -1.34 -0.01 2.41 0.04 0.00 0.00 177.00 178.02 2eea n THR 83 N -2.67 0.76 -3.87 1.26 -1.04 -1.26 -2.03 114.28 105.43 2eea n THR 83 Ca 0.10 -0.42 -0.11 0.00 -2.04 0.00 0.00 64.05 61.58 2eea n THR 83 Cb 0.52 -0.79 -0.12 0.00 -1.82 0.00 0.00 70.33 68.12 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 -5.09 1.78 -0.06 -4.42 1.43 -1.26 -4.61 118.68 106.44 2eea s LEU 84 Ca -0.09 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2eea s LEU 84 Cb 0.04 0.29 -0.05 0.00 0.03 0.00 0.00 46.19 46.51 2eea s LEU 84 CO 0.41 -0.12 1.50 -2.16 0.23 0.00 0.00 176.35 176.20 2eea s PRO 85 N -0.43 4.22 0.00 1.29 0.04 -1.26 -4.86 135.00 134.00 2eea s PRO 85 Ca -0.05 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2eea s PRO 85 Cb -0.03 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2eea s PRO 85 CO 0.00 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2eea n GLY 86 N 3.88 0.27 3.56 0.56 0.00 -1.20 -4.91 105.19 107.35 2eea n GLY 86 Ca 0.15 -0.90 -0.40 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 5.66 0.20 1.61 1.47 -1.26 -3.81 116.67 120.54 2eea s ASP 87 Ca 0.00 0.26 -0.26 0.00 1.18 0.00 0.00 52.55 53.73 2eea s ASP 87 Cb 0.00 -2.54 -0.08 0.00 -0.34 0.00 0.00 42.92 39.96 2eea s ASP 87 CO 0.00 -2.09 0.83 -0.31 0.68 0.00 0.00 175.17 174.28 2eea s TYR 88 N 7.68 3.89 -0.61 2.11 2.02 -1.25 -4.62 117.35 126.56 2eea s TYR 88 Ca 0.59 1.70 -0.09 0.00 -0.37 0.00 0.00 57.07 58.90 2eea s TYR 88 Cb -0.12 -2.82 0.16 0.00 -0.40 0.00 0.00 41.96 38.78 2eea s TYR 88 CO 0.22 0.46 0.49 -1.12 -1.57 0.00 0.00 175.55 174.03 2eea s SER 89 N -1.24 5.91 0.06 2.29 0.01 0.75 -3.62 113.70 117.85 2eea s SER 89 Ca 0.39 -2.36 -0.30 0.00 1.31 0.00 0.00 55.95 54.99 2eea s SER 89 Cb -0.23 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 2eea s SER 89 CO 0.27 -0.59 1.00 -0.63 0.41 0.00 0.00 173.24 173.70 2eea s ILE 90 N 0.69 4.60 -0.17 1.44 1.01 -0.83 -0.49 121.20 127.46 2eea s ILE 90 Ca 0.12 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.76 2eea s ILE 90 Cb -0.21 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.03 2eea s ILE 90 CO -0.03 0.22 -0.11 -0.76 0.00 0.00 0.00 174.94 174.26 2eea s LEU 91 N 0.56 1.88 -0.20 2.97 1.43 0.57 -2.16 118.68 123.74 2eea s LEU 91 Ca 0.51 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2eea s LEU 91 Cb -0.23 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 44.89 2eea s LEU 91 CO 0.29 -0.12 -0.14 -0.69 0.23 0.00 0.00 176.35 175.92 2eea s VAL 92 N 1.49 1.86 0.03 -1.59 1.01 -1.26 -1.43 120.40 120.51 2eea s VAL 92 Ca 0.02 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.03 2eea s VAL 92 Cb -0.15 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2eea s VAL 92 CO -0.09 0.30 -0.22 -0.54 0.00 0.00 0.00 175.10 174.55 2eea s LYS 93 N 1.32 1.53 -0.12 2.72 1.02 -0.02 -3.14 119.74 123.06 2eea s LYS 93 Ca 0.00 -0.92 -0.02 0.00 0.02 0.00 0.00 55.97 55.06 2eea s LYS 93 Cb -0.15 -1.61 0.04 0.00 -0.52 0.00 0.00 37.83 35.58 2eea s LYS 93 CO -0.10 0.42 -0.00 -0.47 -0.92 0.00 0.00 175.35 174.28 2eea s TYR 94 N -0.73 0.95 -1.37 3.18 6.14 0.03 -0.34 117.35 125.21 2eea s TYR 94 Ca 0.08 -0.49 -0.07 0.00 0.64 0.00 0.00 57.07 57.23 2eea s TYR 94 Cb -0.09 -0.96 0.03 0.00 0.42 0.00 0.00 41.96 41.36 2eea s TYR 94 CO 0.01 -0.45 0.97 -1.71 0.64 0.00 0.00 175.55 175.01 2eea n ASN 95 N 5.07 -3.82 -3.20 4.32 5.15 0.13 -1.75 115.26 121.16 2eea n ASN 95 Ca -0.09 -0.70 -0.21 0.00 -0.60 0.00 0.00 54.58 52.99 2eea n ASN 95 Cb 0.49 -4.44 0.07 0.00 -0.53 0.00 0.00 39.78 35.37 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 -2.99 -5.63 -3.66 1.20 8.00 -1.26 -5.00 116.55 107.20 2eea n ASP 96 Ca -0.11 -0.48 -0.11 0.00 0.71 0.00 0.00 54.79 54.80 2eea n ASP 96 Cb 0.60 -4.47 -0.11 0.00 -0.02 0.00 0.00 41.12 37.12 2eea n ASP 96 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2eea s LYS 97 N -6.10 0.24 0.41 -1.24 1.02 -0.72 -5.15 119.74 108.20 2eea s LYS 97 Ca 0.49 0.88 -0.25 0.00 0.02 0.00 0.00 55.97 57.11 2eea s LYS 97 Cb -0.21 0.14 -0.08 0.00 -0.52 0.00 0.00 37.83 37.15 2eea s LYS 97 CO 0.64 -0.26 1.17 -1.01 -0.92 0.00 0.00 175.35 174.96 2eea s HIS 98 N 2.48 3.04 0.46 3.18 3.76 -1.26 -0.79 115.29 126.16 2eea s HIS 98 Ca -0.01 1.55 -0.17 0.00 -0.15 0.00 0.00 55.06 56.29 2eea s HIS 98 Cb -0.12 -3.39 -0.09 0.00 1.11 0.00 0.00 32.58 30.10 2eea s HIS 98 CO -0.11 -1.33 0.92 0.96 -0.85 0.00 0.00 174.74 174.34 2eea s ILE 99 N -1.44 4.54 -0.63 0.60 -4.36 -1.19 -4.92 121.20 113.80 2eea s ILE 99 Ca 0.58 1.18 -0.26 0.00 -0.26 0.00 0.00 60.65 61.89 2eea s ILE 99 Cb -0.30 -3.68 -0.02 0.00 1.25 0.00 0.00 42.46 39.71 2eea s ILE 99 CO 0.38 -0.52 1.87 -2.16 0.24 0.00 0.00 174.94 174.74 2eea s PRO 100 N -3.71 2.62 0.00 0.37 0.04 -1.26 -2.58 135.00 130.47 2eea s PRO 100 Ca 0.58 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2eea s PRO 100 Cb -0.10 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.02 2eea s PRO 100 CO 0.25 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 174.93 2eea n GLY 101 N 5.77 0.64 3.89 0.56 0.00 -1.26 -4.82 105.19 109.97 2eea n GLY 101 Ca 0.22 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 -0.22 5.81 0.49 1.61 0.01 -1.07 -4.09 113.70 116.25 2eea s SER 102 Ca 0.00 -0.17 -0.22 0.00 1.31 0.00 0.00 55.95 56.88 2eea s SER 102 Cb 0.00 -1.49 -0.07 0.00 0.21 0.00 0.00 66.02 64.67 2eea s SER 102 CO 0.00 -0.13 1.15 -2.16 0.41 0.00 0.00 173.24 172.51 2eea s PRO 103 N -3.94 3.60 0.26 12.44 0.04 -1.26 -4.93 135.00 141.21 2eea s PRO 103 Ca 0.36 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 2eea s PRO 103 Cb -0.08 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 2eea s PRO 103 CO 0.27 -0.67 0.54 -0.06 0.04 0.00 0.00 177.00 177.13 2eea s PHE 104 N -1.64 3.46 -0.15 0.56 0.08 -0.92 -4.92 117.98 114.45 2eea s PHE 104 Ca 0.67 0.72 0.00 0.00 0.12 0.00 0.00 56.93 58.45 2eea s PHE 104 Cb -0.27 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.06 2eea s PHE 104 CO 0.31 0.22 -0.10 0.99 -0.10 0.00 0.00 175.22 176.54 2eea s THR 105 N -1.96 1.38 -0.37 0.64 2.01 -1.26 -1.96 115.64 114.12 2eea s THR 105 Ca 0.45 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 2eea s THR 105 Cb -0.11 -1.40 0.04 0.00 0.01 0.00 0.00 72.50 71.04 2eea s THR 105 CO 0.27 0.32 0.18 0.00 -0.69 0.00 0.00 174.62 174.70 2eea s ALA 106 N 1.54 3.21 -0.99 7.40 0.00 -1.11 -4.57 121.76 127.25 2eea s ALA 106 Ca 0.03 -1.78 -0.24 0.00 0.00 0.00 0.00 51.96 49.97 2eea s ALA 106 Cb -0.14 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 2eea s ALA 106 CO -0.09 -1.41 1.96 0.21 0.00 0.00 0.00 175.76 176.43 2eea s LYS 107 N 1.49 2.49 0.20 0.00 2.47 -0.59 -3.79 119.74 122.02 2eea s LYS 107 Ca 0.01 -0.55 -0.12 0.00 -1.56 0.00 0.00 55.97 53.75 2eea s LYS 107 Cb -0.20 -5.11 -0.07 0.00 -1.46 0.00 0.00 37.83 30.99 2eea s LYS 107 CO 0.05 -3.63 0.57 0.42 0.16 0.00 0.00 175.35 172.91 2eea s ILE 108 N 10.62 4.87 0.33 5.43 1.01 -1.25 -3.23 121.20 138.99 2eea s ILE 108 Ca 0.70 0.68 0.04 0.00 0.00 0.00 0.00 60.65 62.08 2eea s ILE 108 Cb -0.05 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2eea s ILE 108 CO 0.04 0.06 0.17 0.28 0.00 0.00 0.00 174.94 175.50 2eea s THR 109 N -1.67 0.33 0.36 2.92 -1.32 -0.88 -3.25 115.64 112.12 2eea s THR 109 Ca 0.44 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.87 2eea s THR 109 Cb -0.13 -2.48 -0.05 0.00 -1.51 0.00 0.00 72.50 68.34 2eea s THR 109 CO 0.20 0.00 0.63 1.51 -2.21 0.00 0.00 174.62 174.75 2eea s ASP 110 N -3.42 6.39 -0.13 8.08 1.47 -1.26 -0.98 116.67 126.82 2eea s ASP 110 Ca 0.34 0.76 -0.08 0.00 1.18 0.00 0.00 52.55 54.75 2eea s ASP 110 Cb 0.04 -2.16 -0.06 0.00 -0.34 0.00 0.00 42.92 40.40 2eea s ASP 110 CO 0.19 -0.32 -0.19 -0.67 0.68 0.00 0.00 175.17 174.86 2eea n ASP 111 N -1.43 1.12 -3.42 2.11 -0.08 -1.26 -4.87 116.55 108.73 2eea n ASP 111 Ca -0.01 0.19 -0.21 0.00 -1.51 0.00 0.00 54.79 53.25 2eea n ASP 111 Cb 0.55 -0.45 0.08 0.00 2.34 0.00 0.00 41.12 43.63 2eea n ASP 111 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2eea n SER 112 N -3.72 -4.84 -4.58 1.67 7.64 -1.26 -4.88 113.62 103.65 2eea n SER 112 Ca -0.25 -0.54 -0.48 0.00 1.01 0.00 0.00 58.87 58.61 2eea n SER 112 Cb 0.62 -4.87 -0.03 0.00 -1.01 0.00 0.00 64.21 58.92 2eea n SER 112 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2eea n ARG 113 N -4.55 1.19 -3.84 1.43 0.00 -1.26 -4.98 116.66 104.65 2eea n ARG 113 Ca -0.08 0.42 -0.12 0.00 -0.00 0.00 0.00 57.85 58.07 2eea n ARG 113 Cb 0.59 -1.89 -0.09 0.00 0.00 0.00 0.00 32.46 31.07 2eea n ARG 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2eea s ARG 114 N -0.62 0.56 0.00 -0.14 3.52 -1.26 -5.34 118.95 115.68 2eea s ARG 114 Ca 0.70 -0.38 0.25 0.00 -0.13 0.00 0.00 55.73 56.17 2eea s ARG 114 Cb -0.82 0.24 1.48 0.00 -1.56 0.00 0.00 34.95 34.29 2eea s ARG 114 CO 0.54 -0.15 1.84 0.00 -0.81 0.00 0.00 175.30 176.72