#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eea s SER 2 N 0.00 -0.42 0.28 1.61 1.04 -1.26 -5.19 113.70 109.76 2eea s SER 2 Ca 0.00 0.35 -0.21 0.00 0.48 0.00 0.00 55.95 56.57 2eea s SER 2 Cb 0.00 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2eea s SER 2 CO 0.00 -0.47 0.72 -0.44 0.98 0.00 0.00 173.24 174.03 2eea s SER 3 N -1.50 -0.26 0.00 7.02 0.01 -1.26 -5.18 113.70 112.53 2eea s SER 3 Ca -0.02 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2eea s SER 3 Cb -0.01 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2eea s SER 3 CO 0.00 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 172.91 2eea n GLY 4 N -0.46 5.47 3.38 3.44 0.00 -1.26 -5.19 105.19 110.57 2eea n GLY 4 Ca -0.04 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 2eea n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eea s SER 5 N 1.00 -0.42 0.07 1.61 0.15 -1.26 -5.18 113.70 109.67 2eea s SER 5 Ca 0.00 0.16 -0.27 0.00 0.70 0.00 0.00 55.95 56.54 2eea s SER 5 Cb 0.00 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 64.88 2eea s SER 5 CO 0.00 -0.71 1.15 -0.94 1.20 0.00 0.00 173.24 173.94 2eea s SER 6 N -1.95 -0.08 0.11 5.45 1.04 -1.26 -5.19 113.70 111.83 2eea s SER 6 Ca -0.05 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 2eea s SER 6 Cb -0.01 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 2eea s SER 6 CO -0.01 -0.60 0.22 -0.83 0.98 0.00 0.00 173.24 173.00 2eea s GLY 7 N -3.13 0.21 0.14 7.32 0.00 -1.26 -5.14 107.32 105.46 2eea s GLY 7 Ca 0.17 -0.70 -0.31 0.00 0.00 0.00 0.00 44.72 43.88 2eea s GLY 7 CO -0.00 -0.81 1.34 2.56 0.00 0.00 0.00 173.10 176.19 2eea s PRO 8 N -3.90 4.35 -0.57 2.90 0.04 -1.26 -5.00 135.00 131.58 2eea s PRO 8 Ca 0.09 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 2eea s PRO 8 Cb 0.04 -3.24 0.15 0.00 0.04 0.00 0.00 34.50 31.49 2eea s PRO 8 CO -0.07 -0.36 0.41 -1.21 0.04 0.00 0.00 177.00 175.81 2eea s GLU 9 N 0.69 2.56 0.02 4.56 2.02 -1.26 -5.05 118.70 122.23 2eea s GLU 9 Ca 0.61 -2.17 0.02 0.00 0.02 0.00 0.00 54.97 53.45 2eea s GLU 9 Cb -0.36 -3.84 -0.01 0.00 0.10 0.00 0.00 34.13 30.02 2eea s GLU 9 CO 0.33 -1.17 -0.07 0.45 0.02 0.00 0.00 175.26 174.82 2eea s SER 10 N 1.64 0.75 -0.47 -0.19 0.15 -1.26 -5.10 113.70 109.20 2eea s SER 10 Ca 0.12 -0.32 -0.28 0.00 0.70 0.00 0.00 55.95 56.18 2eea s SER 10 Cb -0.21 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 2eea s SER 10 CO -0.03 -0.06 1.77 -2.16 1.20 0.00 0.00 173.24 173.96 2eea s PRO 11 N -0.83 3.04 -0.00 5.44 0.04 -1.26 -4.97 135.00 136.45 2eea s PRO 11 Ca -0.04 0.97 0.02 0.00 0.04 0.00 0.00 61.00 61.99 2eea s PRO 11 Cb -0.06 -4.26 -0.01 0.00 0.04 0.00 0.00 34.50 30.21 2eea s PRO 11 CO 0.00 -2.23 -0.05 -0.51 0.04 0.00 0.00 177.00 174.25 2eea s LEU 12 N 7.71 2.02 -0.45 -3.56 1.43 -1.26 -5.12 118.68 119.46 2eea s LEU 12 Ca 0.71 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.54 2eea s LEU 12 Cb -0.17 -0.27 0.06 0.00 0.03 0.00 0.00 46.19 45.84 2eea s LEU 12 CO 0.27 0.05 0.35 -1.10 0.23 0.00 0.00 176.35 176.16 2eea s GLN 13 N -0.20 2.95 0.34 1.70 -0.21 -1.26 -5.03 119.66 117.94 2eea s GLN 13 Ca 0.01 -1.26 -0.13 0.00 0.02 0.00 0.00 55.36 54.00 2eea s GLN 13 Cb -0.02 -4.06 0.03 0.00 1.00 0.00 0.00 33.01 29.96 2eea s GLN 13 CO -0.00 -0.94 0.65 -0.06 -2.12 0.00 0.00 175.29 172.82 2eea s PHE 14 N 1.63 0.34 -0.67 0.91 0.08 -1.26 -5.11 117.98 113.90 2eea s PHE 14 Ca 0.04 -0.82 -0.24 0.00 0.12 0.00 0.00 56.93 56.03 2eea s PHE 14 Cb -0.23 0.49 0.06 0.00 -0.57 0.00 0.00 43.02 42.76 2eea s PHE 14 CO 0.07 -1.32 1.06 0.71 -0.10 0.00 0.00 175.22 175.65 2eea s TYR 15 N -3.03 2.56 -0.11 0.36 2.02 -1.26 -5.00 117.35 112.89 2eea s TYR 15 Ca 0.20 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.58 2eea s TYR 15 Cb -0.03 -4.38 0.01 0.00 -0.40 0.00 0.00 41.96 37.15 2eea s TYR 15 CO 0.13 -1.75 -0.19 0.14 -1.57 0.00 0.00 175.55 172.30 2eea s VAL 16 N 4.58 1.80 -0.36 0.71 -7.23 -1.26 -5.00 120.40 113.64 2eea s VAL 16 Ca 0.27 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.68 2eea s VAL 16 Cb -0.14 -1.60 0.73 0.00 0.56 0.00 0.00 36.38 35.93 2eea s VAL 16 CO 0.13 0.50 1.83 0.59 -0.31 0.00 0.00 175.10 177.84 2eea n ASN 17 N 3.96 4.63 -4.87 4.85 3.02 -1.26 -4.95 115.26 120.64 2eea n ASN 17 Ca -0.20 -3.29 -0.36 0.00 -0.03 0.00 0.00 54.58 50.71 2eea n ASN 17 Cb 0.52 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 2eea n ASN 17 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2eea s TYR 18 N -3.03 3.62 -0.22 3.10 2.02 -1.26 -5.04 117.35 116.53 2eea s TYR 18 Ca 0.55 0.71 -0.29 0.00 -0.37 0.00 0.00 57.07 57.67 2eea s TYR 18 Cb 0.45 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 2eea s TYR 18 CO 0.13 0.62 1.61 -1.25 -1.57 0.00 0.00 175.55 175.09 2eea s PRO 19 N -1.54 3.79 -0.35 -1.71 0.04 -1.26 -4.96 135.00 129.02 2eea s PRO 19 Ca 0.26 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 2eea s PRO 19 Cb -0.14 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.37 2eea s PRO 19 CO 0.14 -1.30 1.30 -0.80 0.04 0.00 0.00 177.00 176.39 2eea s ASN 20 N 4.22 6.60 -0.72 6.66 -0.87 -1.26 -4.96 114.94 124.62 2eea s ASN 20 Ca 0.71 1.03 0.05 0.00 -1.57 0.00 0.00 52.86 53.08 2eea s ASN 20 Cb -0.25 -2.54 0.18 0.00 -0.02 0.00 0.00 41.25 38.63 2eea s ASN 20 CO 0.29 -1.17 0.55 -0.24 -2.57 0.00 0.00 177.10 173.96 2eea n SER 21 N 7.90 3.23 0.00 -1.22 2.88 -1.26 -4.78 113.62 120.37 2eea n SER 21 Ca 0.15 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 2eea n SER 21 Cb 0.47 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 1.83 0.78 3.01 0.46 0.00 -1.26 -5.11 105.19 104.90 2eea n GLY 22 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.00 0.43 -0.11 1.61 1.04 -1.26 -5.15 113.70 109.26 2eea s SER 23 Ca 0.00 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 2eea s SER 23 Cb 0.00 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 2eea s SER 23 CO 0.00 -0.30 -0.04 -0.69 0.98 0.00 0.00 173.24 173.20 2eea s VAL 24 N -1.62 3.94 0.42 5.02 1.01 -1.26 -4.85 120.40 123.06 2eea s VAL 24 Ca -0.13 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2eea s VAL 24 Cb -0.09 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 2eea s VAL 24 CO -0.01 0.56 0.07 -0.44 0.00 0.00 0.00 175.10 175.27 2eea s SER 25 N -0.33 4.08 -0.04 3.32 0.01 -1.26 -4.71 113.70 114.77 2eea s SER 25 Ca 0.06 -1.30 0.01 0.00 1.31 0.00 0.00 55.95 56.02 2eea s SER 25 Cb -0.12 -0.34 0.02 0.00 0.21 0.00 0.00 66.02 65.79 2eea s SER 25 CO 0.02 -0.52 -0.03 0.00 0.41 0.00 0.00 173.24 173.13 2eea s ALA 26 N -2.69 0.51 -0.09 1.44 0.00 -1.26 -2.86 121.76 116.81 2eea s ALA 26 Ca 0.35 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 2eea s ALA 26 Cb 0.07 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2eea s ALA 26 CO 0.18 -0.02 0.30 1.52 0.00 0.00 0.00 175.76 177.74 2eea s TYR 27 N 0.91 -0.29 0.00 0.00 1.13 -1.15 -5.08 117.35 112.87 2eea s TYR 27 Ca -0.11 0.67 0.00 0.00 -1.41 0.00 0.00 57.07 56.23 2eea s TYR 27 Cb -0.14 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 2eea s TYR 27 CO -0.01 -0.21 0.00 0.41 -2.51 0.00 0.00 175.55 173.23 2eea n GLY 28 N 2.53 2.71 0.00 5.49 0.00 -1.26 -2.43 105.19 112.23 2eea n GLY 28 Ca -0.15 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.80 0.32 0.02 1.61 -0.04 -1.26 -2.20 135.00 132.64 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 -0.04 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 -0.02 -1.13 0.13 0.55 0.00 -1.23 -3.94 105.19 99.54 2eea n GLY 30 Ca 0.09 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.92 1.93 -0.31 0.99 4.77 -0.93 -4.46 117.00 117.07 2eea n LEU 31 Ca 0.01 0.36 0.04 0.00 -0.03 0.00 0.00 56.01 56.39 2eea n LEU 31 Cb 0.44 -0.86 0.18 0.00 -2.33 0.00 0.00 43.42 40.84 2eea n LEU 31 CO 0.42 0.49 1.16 0.58 -1.33 0.00 0.00 177.39 178.71 2eea h VAL 32 N -1.00 0.92 -2.73 4.08 2.07 -1.76 -3.31 116.25 114.53 2eea h VAL 32 Ca -0.61 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 66.70 2eea h VAL 32 Cb 1.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2eea h VAL 32 CO -0.37 0.15 0.45 0.00 0.02 0.00 0.00 177.57 177.83 2eea n TYR 33 N -4.71 -1.78 -3.67 1.57 0.18 -1.25 -2.16 117.16 105.33 2eea n TYR 33 Ca 0.15 -1.50 -0.01 0.00 1.88 0.00 0.00 57.90 58.41 2eea n TYR 33 Cb 0.28 0.74 0.01 0.00 -0.38 0.00 0.00 39.34 39.99 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 0.93 3.09 -7.48 0.00 -1.19 -4.03 105.19 95.86 2eea n GLY 34 Ca -0.05 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.32 0.72 0.24 1.61 1.01 -1.26 -2.19 120.40 118.20 2eea s VAL 35 Ca 0.09 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2eea s VAL 35 Cb -0.01 -0.73 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 2eea s VAL 35 CO 0.02 -0.26 1.50 0.00 0.00 0.00 0.00 175.10 176.36 2eea s ALA 36 N -1.19 3.69 -1.40 5.51 0.00 -0.22 -2.73 121.76 125.42 2eea s ALA 36 Ca -0.06 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 2eea s ALA 36 Cb -0.09 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.47 2eea s ALA 36 CO 0.01 -0.80 0.76 0.09 0.00 0.00 0.00 175.76 175.81 2eea n ASN 37 N 2.69 -2.26 -3.74 0.00 5.03 -0.79 -4.87 115.26 111.32 2eea n ASN 37 Ca 0.09 -0.84 -0.16 0.00 0.87 0.00 0.00 54.58 54.54 2eea n ASN 37 Cb 0.39 -3.83 -0.16 0.00 -1.02 0.00 0.00 39.78 35.16 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 -6.29 -0.01 0.20 3.52 -0.14 -1.10 -4.99 119.74 110.92 2eea s LYS 38 Ca 0.23 0.30 -0.33 0.00 -1.36 0.00 0.00 55.97 54.82 2eea s LYS 38 Cb -0.12 -0.29 -0.14 0.00 -1.68 0.00 0.00 37.83 35.60 2eea s LYS 38 CO 0.83 -0.21 1.38 0.25 -0.76 0.00 0.00 175.35 176.84 2eea n THR 39 N 4.51 0.66 -3.63 2.17 -2.24 -1.26 -4.22 114.28 110.27 2eea n THR 39 Ca -0.21 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 2eea n THR 39 Cb 0.50 -1.30 -0.13 0.00 -2.10 0.00 0.00 70.33 67.31 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 0.16 -0.50 0.18 6.98 0.00 -0.64 -4.96 121.76 122.98 2eea s ALA 40 Ca 0.73 0.80 0.08 0.00 0.00 0.00 0.00 51.96 53.56 2eea s ALA 40 Cb -0.73 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 2eea s ALA 40 CO 0.48 -0.74 -0.16 -0.08 0.00 0.00 0.00 175.76 175.26 2eea s THR 41 N 2.40 1.73 0.22 0.00 -1.32 -1.26 -2.57 115.64 114.83 2eea s THR 41 Ca 0.03 -2.06 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 2eea s THR 41 Cb -0.13 -1.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.90 2eea s THR 41 CO -0.09 -0.48 0.11 0.72 -2.21 0.00 0.00 174.62 172.67 2eea s PHE 42 N -2.56 1.31 -0.08 9.09 -0.71 -1.14 -3.55 117.98 120.33 2eea s PHE 42 Ca 0.19 -1.28 0.02 0.00 -1.04 0.00 0.00 56.93 54.82 2eea s PHE 42 Cb -0.03 -0.70 -0.02 0.00 -1.21 0.00 0.00 43.02 41.06 2eea s PHE 42 CO 0.06 -0.49 -0.14 0.99 -1.34 0.00 0.00 175.22 174.30 2eea s THR 43 N -3.97 3.08 0.12 -4.49 2.01 -1.02 -2.99 115.64 108.38 2eea s THR 43 Ca 0.37 -0.69 0.09 0.00 0.31 0.00 0.00 61.69 61.77 2eea s THR 43 Cb 0.07 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2eea s THR 43 CO 0.12 0.57 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.80 2eea s ILE 44 N -0.31 2.84 -0.74 1.82 1.01 -0.42 -2.91 121.20 122.49 2eea s ILE 44 Ca 0.03 -1.50 -0.17 0.00 0.00 0.00 0.00 60.65 59.00 2eea s ILE 44 Cb -0.13 -2.30 0.14 0.00 0.01 0.00 0.00 42.46 40.18 2eea s ILE 44 CO 0.03 0.10 0.83 -0.69 0.00 0.00 0.00 174.94 175.20 2eea s VAL 45 N -1.14 5.02 -1.30 2.92 1.01 -1.13 -1.73 120.40 124.04 2eea s VAL 45 Ca 0.18 -1.55 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 2eea s VAL 45 Cb -0.11 -4.56 0.08 0.00 0.00 0.00 0.00 36.38 31.80 2eea s VAL 45 CO 0.10 -1.20 1.75 0.41 0.00 0.00 0.00 175.10 176.17 2eea n THR 46 N 5.10 3.94 -1.95 3.92 -1.04 -1.09 -4.36 114.28 118.81 2eea n THR 46 Ca 0.05 -4.08 -0.31 0.00 -2.04 0.00 0.00 64.05 57.68 2eea n THR 46 Cb 0.45 -2.39 -0.04 0.00 -1.82 0.00 0.00 70.33 66.53 2eea n THR 46 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2eea s GLU 47 N 3.80 2.44 -0.30 -2.82 0.41 -1.26 -3.63 118.70 117.34 2eea s GLU 47 Ca 0.52 0.30 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 2eea s GLU 47 Cb 0.04 -4.73 0.00 0.00 -1.78 0.00 0.00 34.13 27.66 2eea s GLU 47 CO 0.06 -3.23 0.00 -3.47 -0.49 0.00 0.00 175.26 168.12 2eea n ASP 48 N 14.18 -1.78 0.01 -0.19 2.03 -1.26 -4.78 116.55 124.77 2eea n ASP 48 Ca 0.33 0.40 -0.18 0.00 0.52 0.00 0.00 54.79 55.86 2eea n ASP 48 Cb 0.49 -1.63 -0.14 0.00 -0.72 0.00 0.00 41.12 39.12 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2eea h ALA 49 N 1.02 -0.05 -2.11 -1.67 0.00 -1.94 -3.50 119.26 111.01 2eea h ALA 49 Ca -0.08 -0.62 0.20 0.00 0.00 0.00 0.00 54.91 54.41 2eea h ALA 49 Cb 1.03 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2eea h ALA 49 CO 0.10 0.26 -0.27 0.41 0.00 0.00 0.00 179.25 179.75 2eea n GLY 50 N 1.59 -1.17 3.44 0.00 0.00 -1.26 -4.31 105.19 103.47 2eea n GLY 50 Ca -0.12 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 2eea n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eea s GLU 51 N -1.33 3.46 0.09 1.61 2.02 -1.26 -4.73 118.70 118.56 2eea s GLU 51 Ca 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.38 2eea s GLU 51 Cb 0.00 -4.71 0.00 0.00 0.10 0.00 0.00 34.13 29.52 2eea s GLU 51 CO 0.00 -1.73 0.00 0.41 0.02 0.00 0.00 175.26 173.96 2eea n GLY 52 N 5.35 -0.03 2.69 -1.39 0.00 -1.26 -5.01 105.19 105.54 2eea n GLY 52 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 3.26 1.58 3.85 -0.02 0.00 -1.26 -5.11 105.19 107.49 2eea n GLY 53 Ca 0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.50 4.35 -0.06 0.99 0.20 -1.26 -2.96 118.68 116.43 2eea s LEU 54 Ca 0.19 1.00 0.03 0.00 0.69 0.00 0.00 54.13 56.03 2eea s LEU 54 Cb 0.42 -3.16 -0.03 0.00 -0.43 0.00 0.00 46.19 42.99 2eea s LEU 54 CO -0.09 0.13 -0.13 -0.62 -0.29 0.00 0.00 176.35 175.35 2eea s ASP 55 N -1.69 4.13 -0.09 3.68 -1.08 -0.66 -4.95 116.67 116.00 2eea s ASP 55 Ca 0.36 -0.18 -0.01 0.00 -0.52 0.00 0.00 52.55 52.19 2eea s ASP 55 Cb -0.15 -0.97 0.03 0.00 -1.46 0.00 0.00 42.92 40.37 2eea s ASP 55 CO 0.19 0.33 -0.00 -0.22 0.52 0.00 0.00 175.17 175.98 2eea s LEU 56 N -0.64 0.73 0.15 -1.34 2.96 -1.26 -1.66 118.68 117.62 2eea s LEU 56 Ca 0.09 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.74 2eea s LEU 56 Cb -0.11 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 2eea s LEU 56 CO 0.01 -0.20 0.22 0.00 -1.32 0.00 0.00 176.35 175.07 2eea s ALA 57 N 1.93 0.17 -0.05 5.97 0.00 -0.96 -5.07 121.76 123.75 2eea s ALA 57 Ca 0.04 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.93 2eea s ALA 57 Cb -0.13 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2eea s ALA 57 CO -0.06 -0.60 0.20 0.42 0.00 0.00 0.00 175.76 175.73 2eea s ILE 58 N -3.97 0.03 0.37 0.00 1.01 -1.26 -2.18 121.20 115.19 2eea s ILE 58 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.62 2eea s ILE 58 Cb 0.04 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 2eea s ILE 58 CO -0.01 -0.13 0.15 -1.61 0.00 0.00 0.00 174.94 173.34 2eea s GLU 59 N -0.45 1.81 0.00 2.79 2.02 -0.26 -4.88 118.70 119.72 2eea s GLU 59 Ca -0.06 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 52.86 2eea s GLU 59 Cb -0.04 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.81 2eea s GLU 59 CO 0.01 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.23 2eea n GLY 60 N -0.78 -0.15 0.07 -1.39 0.00 -1.26 -0.73 105.19 100.95 2eea n GLY 60 Ca -0.02 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 0.11 -3.43 1.61 -0.04 -1.26 -4.84 135.00 127.15 2eea n PRO 61 Ca 0.00 0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.71 2eea n PRO 61 Cb 0.00 -1.71 -0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2eea n PRO 61 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eea n SER 62 N -1.92 -1.46 -4.89 3.54 2.88 -1.26 -5.01 113.62 105.50 2eea n SER 62 Ca 0.03 -2.45 -0.32 0.00 -1.33 0.00 0.00 58.87 54.79 2eea n SER 62 Cb 0.20 2.55 -0.05 0.00 -0.75 0.00 0.00 64.21 66.17 2eea n SER 62 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2eea s LYS 63 N -2.40 3.36 -0.18 -1.46 0.00 -1.26 -4.87 119.74 112.92 2eea s LYS 63 Ca 0.19 -0.40 -0.05 0.00 0.00 0.00 0.00 55.97 55.71 2eea s LYS 63 Cb -0.02 -3.03 0.09 0.00 0.00 0.00 0.00 37.83 34.87 2eea s LYS 63 CO 0.14 0.65 0.34 0.00 0.00 0.00 0.00 175.35 176.48 2eea s ALA 64 N -1.37 -0.86 1.03 0.59 0.00 -1.26 -4.39 121.76 115.51 2eea s ALA 64 Ca 0.29 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 2eea s ALA 64 Cb -0.13 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.71 2eea s ALA 64 CO 0.21 -0.86 -0.17 -0.85 0.00 0.00 0.00 175.76 174.09 2eea n GLU 65 N 5.37 -0.76 -3.82 0.00 0.00 -1.26 -4.86 120.64 115.30 2eea n GLU 65 Ca -0.06 -0.20 -0.13 0.00 0.00 0.00 0.00 57.16 56.77 2eea n GLU 65 Cb 0.50 -1.58 -0.13 0.00 0.00 0.00 0.00 31.44 30.23 2eea n GLU 65 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2eea s ILE 66 N -2.23 -0.01 -0.36 3.84 1.01 -1.26 -4.23 121.20 117.97 2eea s ILE 66 Ca 0.52 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.22 2eea s ILE 66 Cb -0.13 -0.15 0.11 0.00 0.01 0.00 0.00 42.46 42.30 2eea s ILE 66 CO 0.69 0.02 0.13 -0.44 0.00 0.00 0.00 174.94 175.33 2eea s SER 67 N 0.28 4.12 -0.24 3.58 0.01 -0.55 -5.01 113.70 115.89 2eea s SER 67 Ca -0.02 -2.04 -0.19 0.00 1.31 0.00 0.00 55.95 55.01 2eea s SER 67 Cb -0.03 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 2eea s SER 67 CO -0.01 -0.37 0.55 0.00 0.41 0.00 0.00 173.24 173.82 2eea s ILE 69 N 2.11 0.83 0.54 0.00 1.01 -1.12 -5.02 121.20 119.54 2eea s ILE 69 Ca 0.24 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 2eea s ILE 69 Cb -0.16 -0.73 -0.06 0.00 0.01 0.00 0.00 42.46 41.52 2eea s ILE 69 CO 0.09 0.11 0.97 -0.62 0.00 0.00 0.00 174.94 175.49 2eea s ASP 70 N -0.58 6.47 0.36 3.58 2.15 -1.26 -1.54 116.67 125.86 2eea s ASP 70 Ca 0.02 1.44 0.04 0.00 0.43 0.00 0.00 52.55 54.48 2eea s ASP 70 Cb -0.05 -2.46 0.04 0.00 -0.30 0.00 0.00 42.92 40.15 2eea s ASP 70 CO 0.00 -0.66 0.35 0.59 -0.17 0.00 0.00 175.17 175.28 2eea n ASN 71 N -1.96 1.91 -0.00 -0.34 5.03 -0.37 -4.84 115.26 114.68 2eea n ASN 71 Ca 0.06 -2.16 0.06 0.00 0.87 0.00 0.00 54.58 53.41 2eea n ASN 71 Cb 0.54 -0.10 -0.08 0.00 -1.02 0.00 0.00 39.78 39.12 2eea n ASN 71 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2eea n LYS 72 N -1.49 2.55 -0.05 3.52 4.76 -1.26 -4.45 118.16 121.74 2eea n LYS 72 Ca 0.02 -0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.40 2eea n LYS 72 Cb 0.40 -1.14 -0.14 0.00 -1.84 0.00 0.00 35.03 32.31 2eea n LYS 72 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2eea n ASP 73 N -1.32 0.40 0.00 4.39 9.92 -1.26 -4.98 116.55 123.71 2eea n ASP 73 Ca 0.03 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2eea n ASP 73 Cb 0.21 0.62 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 2eea n ASP 73 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2eea n GLY 74 N 1.60 1.23 3.67 0.44 0.00 -1.26 -5.13 105.19 105.74 2eea n GLY 74 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.23 0.94 -0.01 2.61 -4.23 -1.26 -2.65 115.64 109.81 2eea s THR 75 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2eea s THR 75 Cb 0.00 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 2eea s THR 75 CO 0.00 0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 173.91 2eea s THR 77 N -0.41 2.92 -0.42 0.00 2.01 -0.59 -1.31 115.64 117.85 2eea s THR 77 Ca 0.06 -1.96 -0.15 0.00 0.31 0.00 0.00 61.69 59.95 2eea s THR 77 Cb -0.07 -2.95 0.03 0.00 0.01 0.00 0.00 72.50 69.52 2eea s THR 77 CO -0.01 -0.51 0.33 -0.69 -0.69 0.00 0.00 174.62 173.06 2eea s VAL 78 N 1.11 5.23 -0.10 3.82 1.01 -1.16 -2.80 120.40 127.51 2eea s VAL 78 Ca 0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2eea s VAL 78 Cb -0.21 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2eea s VAL 78 CO -0.04 -0.36 0.10 -0.89 0.00 0.00 0.00 175.10 173.90 2eea s THR 79 N 1.75 5.11 0.19 3.92 2.01 -0.95 -2.87 115.64 124.80 2eea s THR 79 Ca 0.06 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 2eea s THR 79 Cb -0.19 -3.22 0.03 0.00 0.01 0.00 0.00 72.50 69.13 2eea s THR 79 CO 0.10 0.59 0.54 -0.72 -0.69 0.00 0.00 174.62 174.44 2eea s TYR 80 N -1.00 -0.19 -0.11 4.92 1.13 -1.06 -1.49 117.35 119.55 2eea s TYR 80 Ca 0.15 -0.14 -0.01 0.00 -1.41 0.00 0.00 57.07 55.66 2eea s TYR 80 Cb -0.12 0.43 0.03 0.00 -1.10 0.00 0.00 41.96 41.20 2eea s TYR 80 CO 0.04 -0.91 -0.03 -1.17 -2.51 0.00 0.00 175.55 170.97 2eea s LEU 81 N -2.85 0.94 0.62 -3.49 2.96 -1.26 -1.62 118.68 113.98 2eea s LEU 81 Ca 0.08 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.55 2eea s LEU 81 Cb -0.01 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 2eea s LEU 81 CO -0.04 -0.18 1.12 -2.16 -1.32 0.00 0.00 176.35 173.77 2eea s PRO 82 N 1.84 2.97 -0.13 0.98 0.04 -1.26 -4.49 135.00 134.95 2eea s PRO 82 Ca 0.04 1.46 0.09 0.00 0.04 0.00 0.00 61.00 62.64 2eea s PRO 82 Cb -0.13 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.29 2eea s PRO 82 CO -0.07 -1.12 0.01 2.41 0.04 0.00 0.00 177.00 178.27 2eea n THR 83 N -2.07 0.89 -3.87 1.26 -1.04 -1.26 -1.88 114.28 106.31 2eea n THR 83 Ca 0.11 -0.51 -0.11 0.00 -2.04 0.00 0.00 64.05 61.50 2eea n THR 83 Cb 0.52 -0.74 -0.11 0.00 -1.82 0.00 0.00 70.33 68.18 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 -5.13 1.57 0.09 -4.42 1.43 -1.26 -4.49 118.68 106.47 2eea s LEU 84 Ca -0.09 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.59 2eea s LEU 84 Cb 0.04 0.60 -0.07 0.00 0.03 0.00 0.00 46.19 46.79 2eea s LEU 84 CO 0.50 -0.29 1.38 -2.16 0.23 0.00 0.00 176.35 176.00 2eea s PRO 85 N -1.05 4.32 0.00 1.29 0.04 -1.26 -4.85 135.00 133.49 2eea s PRO 85 Ca -0.11 2.03 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2eea s PRO 85 Cb -0.06 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2eea s PRO 85 CO 0.01 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2eea n GLY 86 N 3.49 1.18 3.59 0.56 0.00 -1.17 -4.94 105.19 107.90 2eea n GLY 86 Ca 0.11 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 6.09 -0.20 1.61 -4.77 -1.26 -3.84 116.67 114.30 2eea s ASP 87 Ca 0.00 0.66 -0.24 0.00 -3.30 0.00 0.00 52.55 49.68 2eea s ASP 87 Cb 0.00 -2.54 -0.01 0.00 -1.09 0.00 0.00 42.92 39.28 2eea s ASP 87 CO 0.00 -1.67 0.77 -0.31 0.70 0.00 0.00 175.17 174.66 2eea s TYR 88 N 6.24 3.37 -0.87 2.11 2.02 -1.23 -4.50 117.35 124.48 2eea s TYR 88 Ca 0.62 1.11 -0.21 0.00 -0.37 0.00 0.00 57.07 58.22 2eea s TYR 88 Cb -0.14 -2.96 0.09 0.00 -0.40 0.00 0.00 41.96 38.55 2eea s TYR 88 CO 0.29 -0.28 1.17 -1.12 -1.57 0.00 0.00 175.55 174.05 2eea s SER 89 N 1.24 6.46 -0.01 2.29 0.01 0.09 -3.64 113.70 120.14 2eea s SER 89 Ca 0.34 -1.55 -0.30 0.00 1.31 0.00 0.00 55.95 55.75 2eea s SER 89 Cb -0.16 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2eea s SER 89 CO 0.10 -1.31 0.98 -0.63 0.41 0.00 0.00 173.24 172.79 2eea s ILE 90 N 3.75 4.86 -0.28 1.44 1.01 -1.19 -1.10 121.20 129.69 2eea s ILE 90 Ca 0.33 2.05 0.03 0.00 0.00 0.00 0.00 60.65 63.06 2eea s ILE 90 Cb -0.07 -4.31 0.07 0.00 0.01 0.00 0.00 42.46 38.16 2eea s ILE 90 CO -0.03 0.14 -0.06 -0.76 0.00 0.00 0.00 174.94 174.22 2eea s LEU 91 N 1.13 3.64 -0.05 2.97 1.43 -0.92 -2.62 118.68 124.26 2eea s LEU 91 Ca 0.51 -1.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.10 2eea s LEU 91 Cb -0.21 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2eea s LEU 91 CO 0.27 -0.24 -0.16 -0.69 0.23 0.00 0.00 176.35 175.75 2eea s VAL 92 N 1.09 2.91 0.02 -1.59 1.01 -1.26 -2.27 120.40 120.32 2eea s VAL 92 Ca -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2eea s VAL 92 Cb -0.20 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2eea s VAL 92 CO -0.06 0.59 -0.08 -0.54 0.00 0.00 0.00 175.10 175.01 2eea s LYS 93 N -0.64 0.56 -0.32 2.72 1.02 -0.67 -4.05 119.74 118.37 2eea s LYS 93 Ca 0.09 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.56 2eea s LYS 93 Cb -0.11 -0.45 0.10 0.00 -0.52 0.00 0.00 37.83 36.85 2eea s LYS 93 CO 0.01 0.11 0.07 -0.47 -0.92 0.00 0.00 175.35 174.15 2eea s TYR 94 N -0.80 2.53 -0.55 3.18 5.04 0.47 -1.66 117.35 125.55 2eea s TYR 94 Ca -0.03 -2.22 -0.03 0.00 -2.44 0.00 0.00 57.07 52.34 2eea s TYR 94 Cb -0.07 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.07 2eea s TYR 94 CO 0.00 -0.90 0.48 -1.71 -1.34 0.00 0.00 175.55 172.08 2eea n ASN 95 N 4.61 -3.56 -2.57 4.32 2.85 -1.16 -3.46 115.26 116.30 2eea n ASN 95 Ca -0.00 -0.23 -0.15 0.00 -0.11 0.00 0.00 54.58 54.09 2eea n ASN 95 Cb 0.42 -2.38 0.05 0.00 1.24 0.00 0.00 39.78 39.11 2eea n ASN 95 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2eea n ASP 96 N -0.59 -4.18 -3.70 1.20 2.03 -1.25 -5.03 116.55 105.03 2eea n ASP 96 Ca -0.01 -0.37 -0.12 0.00 0.52 0.00 0.00 54.79 54.81 2eea n ASP 96 Cb 0.53 -3.52 -0.10 0.00 -0.72 0.00 0.00 41.12 37.31 2eea n ASP 96 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2eea s LYS 97 N -5.62 0.51 0.24 -0.67 2.20 -1.22 -5.16 119.74 110.01 2eea s LYS 97 Ca 0.29 0.76 -0.24 0.00 -0.36 0.00 0.00 55.97 56.42 2eea s LYS 97 Cb -0.13 0.15 -0.09 0.00 -1.51 0.00 0.00 37.83 36.25 2eea s LYS 97 CO 0.48 -0.11 0.83 -1.01 -0.36 0.00 0.00 175.35 175.19 2eea s HIS 98 N 0.82 3.77 0.63 4.03 3.76 -1.26 -0.40 115.29 126.65 2eea s HIS 98 Ca -0.05 1.64 -0.12 0.00 -0.15 0.00 0.00 55.06 56.38 2eea s HIS 98 Cb -0.05 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.81 2eea s HIS 98 CO -0.06 0.36 1.04 0.96 -0.85 0.00 0.00 174.74 176.19 2eea s ILE 99 N -1.41 4.35 -0.62 0.60 -4.36 -1.26 -4.95 121.20 113.55 2eea s ILE 99 Ca 0.43 0.84 -0.26 0.00 -0.26 0.00 0.00 60.65 61.39 2eea s ILE 99 Cb -0.20 -3.63 -0.02 0.00 1.25 0.00 0.00 42.46 39.85 2eea s ILE 99 CO 0.25 -0.93 1.87 -2.16 0.24 0.00 0.00 174.94 174.20 2eea s PRO 100 N -4.90 2.62 0.00 0.37 0.04 -1.26 -2.56 135.00 129.31 2eea s PRO 100 Ca 0.57 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2eea s PRO 100 Cb -0.12 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.00 2eea s PRO 100 CO 0.50 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 175.19 2eea n GLY 101 N 5.74 1.25 3.80 0.56 0.00 -1.26 -5.05 105.19 110.23 2eea n GLY 101 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.34 5.82 1.18 1.61 1.04 -1.06 -4.47 113.70 117.49 2eea s SER 102 Ca 0.00 1.83 -0.15 0.00 0.48 0.00 0.00 55.95 58.11 2eea s SER 102 Cb 0.00 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.81 2eea s SER 102 CO 0.00 -1.14 0.79 -0.81 0.98 0.00 0.00 173.24 173.06 2eea n PRO 103 N -1.95 -2.56 -4.31 4.02 -0.04 -1.26 -4.97 135.00 123.93 2eea n PRO 103 Ca 0.09 -1.27 -0.28 0.00 -0.04 0.00 0.00 63.50 62.00 2eea n PRO 103 Cb 0.53 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 2eea n PRO 103 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2eea s PHE 104 N -2.43 2.55 -0.30 0.54 0.08 -1.08 -4.99 117.98 112.35 2eea s PHE 104 Ca 0.51 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.32 2eea s PHE 104 Cb -0.05 -1.31 0.09 0.00 -0.57 0.00 0.00 43.02 41.18 2eea s PHE 104 CO 0.39 0.44 0.04 0.99 -0.10 0.00 0.00 175.22 176.99 2eea s THR 105 N -1.40 1.55 -0.03 0.64 2.01 -1.26 -3.19 115.64 113.96 2eea s THR 105 Ca 0.21 -1.69 -0.16 0.00 0.31 0.00 0.00 61.69 60.36 2eea s THR 105 Cb -0.10 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 2eea s THR 105 CO 0.12 -0.50 0.42 0.00 -0.69 0.00 0.00 174.62 173.98 2eea s ALA 106 N 1.30 3.64 -0.96 7.40 0.00 -1.24 -4.86 121.76 127.03 2eea s ALA 106 Ca 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.67 2eea s ALA 106 Cb -0.18 -2.46 0.20 0.00 0.00 0.00 0.00 23.12 20.68 2eea s ALA 106 CO -0.14 0.35 1.02 0.15 0.00 0.00 0.00 175.76 177.14 2eea s LYS 107 N -0.60 3.78 0.05 0.00 1.02 -0.92 -3.56 119.74 119.51 2eea s LYS 107 Ca 0.24 -2.43 -0.08 0.00 0.02 0.00 0.00 55.97 53.72 2eea s LYS 107 Cb -0.16 -4.67 -0.05 0.00 -0.52 0.00 0.00 37.83 32.42 2eea s LYS 107 CO 0.12 -1.48 0.35 0.42 -0.92 0.00 0.00 175.35 173.84 2eea s ILE 108 N 0.78 5.17 0.29 2.17 1.01 -1.25 -3.20 121.20 126.17 2eea s ILE 108 Ca 0.28 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.29 2eea s ILE 108 Cb -0.08 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2eea s ILE 108 CO -0.08 0.31 0.14 0.28 0.00 0.00 0.00 174.94 175.60 2eea s THR 109 N -1.36 0.37 -0.14 2.92 -1.32 -0.93 -3.04 115.64 112.14 2eea s THR 109 Ca 0.31 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 2eea s THR 109 Cb -0.14 -2.54 -0.01 0.00 -1.51 0.00 0.00 72.50 68.30 2eea s THR 109 CO 0.17 0.00 -0.14 -0.62 -2.21 0.00 0.00 174.62 171.82 2eea s ASP 110 N -3.35 3.81 -0.51 8.08 -1.08 -1.26 -1.05 116.67 121.31 2eea s ASP 110 Ca 0.36 -0.40 0.03 0.00 -0.52 0.00 0.00 52.55 52.02 2eea s ASP 110 Cb 0.06 -1.58 0.43 0.00 -1.46 0.00 0.00 42.92 40.37 2eea s ASP 110 CO 0.16 0.13 1.55 -0.67 0.52 0.00 0.00 175.17 176.85 2eea n ASP 111 N 3.79 6.09 -1.89 -0.34 2.03 -1.26 -4.83 116.55 120.13 2eea n ASP 111 Ca -0.19 -3.77 -0.07 0.00 0.52 0.00 0.00 54.79 51.28 2eea n ASP 111 Cb 0.52 -0.65 -0.10 0.00 -0.72 0.00 0.00 41.12 40.16 2eea n ASP 111 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2eea n SER 112 N -0.71 4.73 -4.55 1.67 2.88 -1.26 -4.86 113.62 111.53 2eea n SER 112 Ca 0.50 -2.34 -0.35 0.00 -1.33 0.00 0.00 58.87 55.35 2eea n SER 112 Cb 0.72 -1.19 -0.04 0.00 -0.75 0.00 0.00 64.21 62.95 2eea n SER 112 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2eea s ARG 113 N 0.89 2.56 -0.30 -1.46 6.06 -1.26 -4.84 118.95 120.59 2eea s ARG 113 Ca 0.41 0.44 -0.08 0.00 -2.50 0.00 0.00 55.73 54.00 2eea s ARG 113 Cb 0.20 -4.57 0.18 0.00 0.06 0.00 0.00 34.95 30.82 2eea s ARG 113 CO 0.00 -2.95 0.87 0.50 -2.50 0.00 0.00 175.30 171.22 2eea s ARG 114 N 7.14 0.34 0.00 5.12 3.52 -1.26 -5.33 118.95 128.48 2eea s ARG 114 Ca 0.70 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.90 2eea s ARG 114 Cb -0.11 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 2eea s ARG 114 CO 0.16 -0.38 0.00 0.00 -0.81 0.00 0.00 175.30 174.27