#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 2.49 0.07 1.61 0.01 -1.26 -5.18 113.70 111.44 2eea s SER 2 Ca 0.00 -1.63 -0.05 0.00 1.31 0.00 0.00 55.95 55.58 2eea s SER 2 Cb 0.00 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 2eea s SER 2 CO 0.00 -0.90 0.08 -0.44 0.41 0.00 0.00 173.24 172.40 2eea s SER 3 N -3.54 0.29 0.16 2.44 0.01 -1.26 -5.07 113.70 106.73 2eea s SER 3 Ca 0.28 -0.81 -0.25 0.00 1.31 0.00 0.00 55.95 56.47 2eea s SER 3 Cb 0.04 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.56 2eea s SER 3 CO 0.16 -0.66 1.58 1.23 0.41 0.00 0.00 173.24 175.96 2eea h GLY 4 N 2.96 -0.44 -5.95 3.44 0.00 -2.10 -3.45 103.07 97.52 2eea h GLY 4 Ca -0.34 0.49 -0.41 0.00 0.00 0.00 0.00 47.33 47.07 2eea h GLY 4 CO 0.61 -0.20 -0.73 -1.26 0.00 0.00 0.00 176.54 174.97 2eea n SER 5 N -5.42 -4.91 -4.41 0.19 2.88 -1.26 -4.91 113.62 95.78 2eea n SER 5 Ca -0.00 -0.63 -0.36 0.00 -1.33 0.00 0.00 58.87 56.54 2eea n SER 5 Cb 0.35 -4.69 0.06 0.00 -0.75 0.00 0.00 64.21 59.18 2eea n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2eea n SER 6 N -3.00 -1.79 0.00 -3.46 2.88 -1.26 -4.98 113.62 102.01 2eea n SER 6 Ca -0.05 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2eea n SER 6 Cb 0.58 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2eea n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eea n GLY 7 N 1.85 0.14 2.69 0.46 0.00 -1.26 -5.12 105.19 103.95 2eea n GLY 7 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2eea n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eea n PRO 8 N -1.43 -2.66 -3.86 1.61 -0.04 -1.26 -5.10 135.00 122.26 2eea n PRO 8 Ca 0.00 -1.34 -0.01 0.00 -0.04 0.00 0.00 63.50 62.11 2eea n PRO 8 Cb 0.00 -1.26 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 2eea n PRO 8 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2eea s GLU 9 N -4.90 0.93 0.32 0.54 -1.05 -1.26 -5.16 118.70 108.12 2eea s GLU 9 Ca 0.54 -0.58 -0.18 0.00 -0.15 0.00 0.00 54.97 54.60 2eea s GLU 9 Cb -0.05 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.82 2eea s GLU 9 CO 0.42 -0.43 0.78 -1.54 0.95 0.00 0.00 175.26 175.44 2eea s SER 10 N -3.39 6.90 0.97 0.83 1.04 -1.26 -5.07 113.70 113.72 2eea s SER 10 Ca 0.22 1.42 -0.12 0.00 0.48 0.00 0.00 55.95 57.94 2eea s SER 10 Cb -0.01 -2.42 0.17 0.00 0.10 0.00 0.00 66.02 63.86 2eea s SER 10 CO 0.02 -0.17 1.09 -2.16 0.98 0.00 0.00 173.24 173.00 2eea s PRO 11 N -2.74 0.65 0.27 4.02 0.04 -1.26 -5.08 135.00 130.90 2eea s PRO 11 Ca 0.53 0.60 0.11 0.00 0.04 0.00 0.00 61.00 62.28 2eea s PRO 11 Cb -0.12 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2eea s PRO 11 CO 0.18 -2.60 -0.18 -0.51 0.04 0.00 0.00 177.00 173.92 2eea s LEU 12 N -6.40 2.59 0.37 -3.56 1.02 -1.26 -5.10 118.68 106.34 2eea s LEU 12 Ca 0.65 -1.04 -0.16 0.00 0.02 0.00 0.00 54.13 53.60 2eea s LEU 12 Cb -0.18 -1.02 -0.12 0.00 0.02 0.00 0.00 46.19 44.88 2eea s LEU 12 CO 0.57 -0.01 -0.02 1.67 0.02 0.00 0.00 176.35 178.58 2eea n GLN 13 N -0.59 0.00 -4.51 1.70 7.27 -1.26 -4.98 117.38 115.01 2eea n GLN 13 Ca -0.06 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.77 2eea n GLN 13 Cb 0.60 -0.81 -0.11 0.00 2.41 0.00 0.00 30.24 32.33 2eea n GLN 13 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 2eea s PHE 14 N -1.50 2.20 -1.56 3.69 0.08 -1.26 -4.77 117.98 114.86 2eea s PHE 14 Ca 0.47 -0.74 -0.13 0.00 0.12 0.00 0.00 56.93 56.65 2eea s PHE 14 Cb -0.46 -1.42 0.09 0.00 -0.57 0.00 0.00 43.02 40.66 2eea s PHE 14 CO 0.52 0.29 0.84 0.98 -0.10 0.00 0.00 175.22 177.76 2eea n TYR 15 N -0.77 -2.03 -2.04 0.36 9.36 -1.26 -4.95 117.16 115.83 2eea n TYR 15 Ca -0.04 0.85 -0.28 0.00 3.32 0.00 0.00 57.90 61.75 2eea n TYR 15 Cb 0.66 -3.68 0.08 0.00 -0.63 0.00 0.00 39.34 35.77 2eea n TYR 15 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2eea s VAL 16 N -3.40 2.12 -0.25 2.97 -7.23 -1.26 -5.10 120.40 108.25 2eea s VAL 16 Ca 0.56 -0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 60.34 2eea s VAL 16 Cb -0.29 -3.00 0.15 0.00 0.56 0.00 0.00 36.38 33.80 2eea s VAL 16 CO 0.86 0.00 1.14 0.21 -0.31 0.00 0.00 175.10 177.00 2eea s ASN 17 N -4.56 -0.30 0.12 4.85 3.84 -1.26 -5.17 114.94 112.45 2eea s ASN 17 Ca 0.62 0.48 0.02 0.00 0.21 0.00 0.00 52.86 54.19 2eea s ASN 17 Cb -0.11 0.45 -0.04 0.00 -0.55 0.00 0.00 41.25 41.01 2eea s ASN 17 CO 0.47 -0.17 0.21 -0.31 -2.79 0.00 0.00 177.10 174.51 2eea s TYR 18 N -0.37 3.40 0.46 0.43 2.02 -1.26 -5.09 117.35 116.93 2eea s TYR 18 Ca 0.03 0.13 -0.23 0.00 -0.37 0.00 0.00 57.07 56.63 2eea s TYR 18 Cb -0.03 -1.66 -0.07 0.00 -0.40 0.00 0.00 41.96 39.79 2eea s TYR 18 CO -0.06 0.54 1.17 -1.25 -1.57 0.00 0.00 175.55 174.38 2eea s PRO 19 N -2.88 3.77 0.12 -1.71 0.04 -1.26 -5.06 135.00 128.02 2eea s PRO 19 Ca 0.33 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 2eea s PRO 19 Cb -0.12 -2.42 0.01 0.00 0.04 0.00 0.00 34.50 32.02 2eea s PRO 19 CO 0.27 -0.54 0.29 -0.80 0.04 0.00 0.00 177.00 176.25 2eea s ASN 20 N -1.35 -0.03 0.54 6.66 0.01 -1.26 -5.18 114.94 114.32 2eea s ASN 20 Ca 0.63 -0.56 0.08 0.00 -0.71 0.00 0.00 52.86 52.31 2eea s ASN 20 Cb -0.29 0.41 0.05 0.00 0.41 0.00 0.00 41.25 41.84 2eea s ASN 20 CO 0.35 -0.81 0.59 -0.94 -1.51 0.00 0.00 177.10 174.78 2eea s SER 21 N -2.86 4.96 0.00 -1.22 1.04 -1.26 -5.10 113.70 109.27 2eea s SER 21 Ca 0.06 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2eea s SER 21 Cb 0.03 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2eea s SER 21 CO -0.09 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.59 2eea n GLY 22 N -1.97 2.39 3.42 7.32 0.00 -1.26 -4.97 105.19 110.11 2eea n GLY 22 Ca 0.08 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 2.13 -0.06 1.61 1.04 -1.26 -5.03 113.70 112.13 2eea s SER 23 Ca 0.00 -1.60 0.06 0.00 0.48 0.00 0.00 55.95 54.89 2eea s SER 23 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2eea s SER 23 CO 0.00 -0.89 -0.23 -0.69 0.98 0.00 0.00 173.24 172.41 2eea s VAL 24 N -3.41 1.91 -0.10 5.02 1.01 -1.26 -4.66 120.40 118.91 2eea s VAL 24 Ca 0.31 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 2eea s VAL 24 Cb 0.04 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.84 2eea s VAL 24 CO 0.17 0.53 0.41 -0.44 0.00 0.00 0.00 175.10 175.77 2eea s SER 25 N -0.07 -0.38 -0.13 3.32 0.01 -1.24 -4.76 113.70 110.45 2eea s SER 25 Ca -0.05 0.60 0.02 0.00 1.31 0.00 0.00 55.95 57.83 2eea s SER 25 Cb -0.14 0.66 0.01 0.00 0.21 0.00 0.00 66.02 66.76 2eea s SER 25 CO 0.04 -0.29 -0.21 0.00 0.41 0.00 0.00 173.24 173.18 2eea s ALA 26 N -0.41 2.27 0.15 1.44 0.00 -1.26 -1.61 121.76 122.34 2eea s ALA 26 Ca -0.05 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 2eea s ALA 26 Cb -0.03 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2eea s ALA 26 CO 0.03 0.03 0.18 1.52 0.00 0.00 0.00 175.76 177.52 2eea s TYR 27 N 0.73 0.59 0.00 0.00 -0.85 -1.05 -5.03 117.35 111.74 2eea s TYR 27 Ca -0.09 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 2eea s TYR 27 Cb -0.16 -0.24 0.00 0.00 0.38 0.00 0.00 41.96 41.94 2eea s TYR 27 CO 0.00 -0.63 0.00 0.41 -1.52 0.00 0.00 175.55 173.81 2eea n GLY 28 N -0.16 4.13 0.00 5.49 0.00 -1.26 -1.13 105.19 112.26 2eea n GLY 28 Ca -0.07 -1.34 0.08 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.76 0.46 0.01 1.61 -0.04 -1.26 -2.44 135.00 131.58 2eea n PRO 29 Ca 0.00 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2eea n PRO 29 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.14 0.13 0.55 0.00 -1.18 -3.79 105.19 99.73 2eea n GLY 30 Ca 0.11 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 2eea n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2eea h LEU 31 N 0.00 0.37 -0.53 0.99 3.38 -1.76 -3.38 115.31 114.38 2eea h LEU 31 Ca -0.21 -0.83 -0.00 0.00 0.09 0.00 0.00 57.88 56.94 2eea h LEU 31 Cb 1.64 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 2eea h LEU 31 CO 0.04 1.74 0.33 0.58 0.09 0.00 0.00 178.44 181.22 2eea h VAL 32 N 0.07 1.15 -2.16 1.22 2.07 -1.73 -3.20 116.25 113.66 2eea h VAL 32 Ca -0.40 -0.32 0.22 0.00 0.82 0.00 0.00 66.70 67.01 2eea h VAL 32 Cb 2.04 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 2eea h VAL 32 CO 0.09 0.15 0.60 -0.72 0.02 0.00 0.00 177.57 177.72 2eea s TYR 33 N -6.04 -0.06 0.33 1.57 -0.85 -1.25 -2.69 117.35 108.35 2eea s TYR 33 Ca -0.13 -0.22 -0.10 0.00 -0.52 0.00 0.00 57.07 56.10 2eea s TYR 33 Cb 0.12 0.63 0.04 0.00 0.38 0.00 0.00 41.96 43.13 2eea s TYR 33 CO 0.75 -0.70 0.62 0.41 -1.52 0.00 0.00 175.55 175.11 2eea n GLY 34 N -0.54 1.34 3.05 5.49 0.00 -1.13 -4.18 105.19 109.22 2eea n GLY 34 Ca -0.06 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.34 0.79 0.14 1.61 1.01 -1.26 -2.29 120.40 118.06 2eea s VAL 35 Ca 0.16 -0.52 -0.33 0.00 0.00 0.00 0.00 61.98 61.29 2eea s VAL 35 Cb -0.04 -0.68 -0.12 0.00 0.00 0.00 0.00 36.38 35.54 2eea s VAL 35 CO 0.12 0.15 1.73 0.00 0.00 0.00 0.00 175.10 177.10 2eea n ALA 36 N 2.65 2.02 -3.33 5.51 0.00 0.14 -2.12 120.51 125.37 2eea n ALA 36 Ca -0.15 0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 2eea n ALA 36 Cb 0.56 -2.49 0.08 0.00 0.00 0.00 0.00 19.45 17.60 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 4.56 -3.30 -3.90 0.00 3.02 -0.93 -4.80 115.26 109.91 2eea n ASN 37 Ca 0.18 -0.53 -0.11 0.00 -0.03 0.00 0.00 54.58 54.09 2eea n ASN 37 Cb 0.33 -4.57 -0.11 0.00 -0.61 0.00 0.00 39.78 34.82 2eea n ASN 37 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2eea s LYS 38 N -5.52 0.38 0.30 3.52 -0.14 -0.90 -5.05 119.74 112.33 2eea s LYS 38 Ca 0.17 -0.37 -0.29 0.00 -1.36 0.00 0.00 55.97 54.12 2eea s LYS 38 Cb -0.08 0.15 -0.10 0.00 -1.68 0.00 0.00 37.83 36.13 2eea s LYS 38 CO 0.65 -0.08 1.19 0.95 -0.76 0.00 0.00 175.35 177.29 2eea s THR 39 N -1.18 3.16 -0.29 2.17 -4.23 -1.26 -4.25 115.64 109.76 2eea s THR 39 Ca -0.13 1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 61.44 2eea s THR 39 Cb -0.07 -3.74 0.12 0.00 1.34 0.00 0.00 72.50 70.14 2eea s THR 39 CO 0.01 0.28 0.65 0.00 -0.54 0.00 0.00 174.62 175.01 2eea s ALA 40 N -1.15 -1.97 0.16 3.99 0.00 -1.12 -4.91 121.76 116.75 2eea s ALA 40 Ca 0.46 2.32 0.00 0.00 0.00 0.00 0.00 51.96 54.75 2eea s ALA 40 Cb -0.35 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2eea s ALA 40 CO 0.46 -0.81 0.04 -0.08 0.00 0.00 0.00 175.76 175.37 2eea s THR 41 N 2.63 0.38 0.24 0.00 -1.32 -1.26 -0.90 115.64 115.41 2eea s THR 41 Ca -0.07 -1.95 0.01 0.00 -1.21 0.00 0.00 61.69 58.47 2eea s THR 41 Cb -0.11 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 2eea s THR 41 CO -0.19 -0.43 0.12 0.72 -2.21 0.00 0.00 174.62 172.64 2eea s PHE 42 N -3.86 1.39 0.18 9.09 -0.71 -0.87 -3.09 117.98 120.10 2eea s PHE 42 Ca 0.25 -1.30 0.08 0.00 -1.04 0.00 0.00 56.93 54.92 2eea s PHE 42 Cb 0.07 -0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 2eea s PHE 42 CO 0.04 -0.50 -0.01 0.99 -1.34 0.00 0.00 175.22 174.40 2eea s THR 43 N -3.91 3.67 -0.13 -4.49 2.01 -0.28 -2.52 115.64 109.99 2eea s THR 43 Ca 0.38 -1.46 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 2eea s THR 43 Cb 0.07 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.76 2eea s THR 43 CO 0.14 -0.12 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.25 2eea s ILE 44 N -1.76 1.01 -0.58 1.82 1.01 -0.17 -2.52 121.20 120.01 2eea s ILE 44 Ca 0.27 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.29 2eea s ILE 44 Cb -0.09 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.33 2eea s ILE 44 CO 0.18 0.29 1.23 -0.69 0.00 0.00 0.00 174.94 175.96 2eea s VAL 45 N 1.71 3.96 -0.23 2.92 1.01 -0.63 -2.10 120.40 127.03 2eea s VAL 45 Ca 0.04 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 62.83 2eea s VAL 45 Cb -0.13 -4.69 0.09 0.00 0.00 0.00 0.00 36.38 31.65 2eea s VAL 45 CO -0.08 -1.33 0.16 0.42 0.00 0.00 0.00 175.10 174.26 2eea s THR 46 N 5.17 -0.17 -0.01 3.92 -4.23 -1.15 -3.60 115.64 115.57 2eea s THR 46 Ca 0.44 -0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 2eea s THR 46 Cb -0.08 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.97 2eea s THR 46 CO 0.25 -0.45 0.06 -1.83 -0.54 0.00 0.00 174.62 172.11 2eea s GLU 47 N 2.19 0.16 -1.74 3.99 4.04 -1.25 -3.42 118.70 122.67 2eea s GLU 47 Ca 0.06 -0.08 -0.17 0.00 0.04 0.00 0.00 54.97 54.83 2eea s GLU 47 Cb -0.16 0.07 0.16 0.00 0.02 0.00 0.00 34.13 34.22 2eea s GLU 47 CO -0.23 -0.03 0.60 -3.47 -1.84 0.00 0.00 175.26 170.30 2eea n ASP 48 N 2.64 -2.05 -0.06 0.83 -0.08 -1.26 -4.80 116.55 111.78 2eea n ASP 48 Ca -0.15 -1.13 -0.12 0.00 -1.51 0.00 0.00 54.79 51.87 2eea n ASP 48 Cb 0.58 -2.21 -0.04 0.00 2.34 0.00 0.00 41.12 41.79 2eea n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2eea n ALA 49 N -4.28 2.25 0.00 -1.67 0.00 -1.26 -4.82 120.51 110.72 2eea n ALA 49 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2eea n ALA 49 Cb 0.51 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 2.28 -0.08 3.20 0.00 0.00 -1.26 -5.12 105.19 104.21 2eea n GLY 50 Ca -0.23 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.42 0.29 0.00 1.61 2.02 -1.26 -4.97 118.70 114.98 2eea s GLU 51 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 54.97 55.89 2eea s GLU 51 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.39 2eea s GLU 51 CO 0.00 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2eea n GLY 52 N 5.11 0.17 2.68 -1.39 0.00 -1.26 -5.11 105.19 105.40 2eea n GLY 52 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -1.59 2.64 -0.02 0.00 -1.26 -4.80 105.19 100.16 2eea n GLY 53 Ca 0.00 1.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.96 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 0.85 0.34 0.05 0.99 2.96 -1.26 -0.27 118.68 122.35 2eea s LEU 54 Ca 0.24 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 2eea s LEU 54 Cb 0.13 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.55 2eea s LEU 54 CO -0.10 -0.32 -0.26 -0.62 -1.32 0.00 0.00 176.35 173.73 2eea s ASP 55 N 2.13 3.25 0.00 3.68 -1.08 -0.06 -4.98 116.67 119.61 2eea s ASP 55 Ca 0.03 -0.59 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 2eea s ASP 55 Cb -0.15 -0.31 -0.00 0.00 -1.46 0.00 0.00 42.92 40.99 2eea s ASP 55 CO -0.07 0.25 -0.02 -0.76 0.52 0.00 0.00 175.17 175.09 2eea s LEU 56 N -1.35 2.05 -0.30 -1.34 1.02 -1.26 -1.30 118.68 116.19 2eea s LEU 56 Ca 0.12 -0.11 -0.11 0.00 0.02 0.00 0.00 54.13 54.05 2eea s LEU 56 Cb -0.10 -0.06 0.15 0.00 0.02 0.00 0.00 46.19 46.20 2eea s LEU 56 CO 0.03 -0.03 0.77 0.00 0.02 0.00 0.00 176.35 177.14 2eea s ALA 57 N -0.28 -2.34 -0.09 4.21 0.00 0.21 -4.98 121.76 118.49 2eea s ALA 57 Ca -0.02 2.17 -0.00 0.00 0.00 0.00 0.00 51.96 54.11 2eea s ALA 57 Cb -0.02 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2eea s ALA 57 CO -0.00 -1.00 -0.08 0.42 0.00 0.00 0.00 175.76 175.10 2eea s ILE 58 N 2.75 3.61 0.34 0.00 1.01 -1.26 0.14 121.20 127.78 2eea s ILE 58 Ca -0.02 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.21 2eea s ILE 58 Cb -0.10 -2.50 -0.07 0.00 0.01 0.00 0.00 42.46 39.80 2eea s ILE 58 CO -0.18 0.57 -0.06 -1.61 0.00 0.00 0.00 174.94 173.65 2eea s GLU 59 N -0.40 1.76 0.00 2.79 0.41 0.12 -4.77 118.70 118.60 2eea s GLU 59 Ca 0.06 -1.92 0.00 0.00 -0.41 0.00 0.00 54.97 52.69 2eea s GLU 59 Cb -0.12 -1.51 0.00 0.00 -1.78 0.00 0.00 34.13 30.72 2eea s GLU 59 CO 0.02 0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 2eea n GLY 60 N -0.76 -0.52 0.27 -1.39 0.00 -1.26 0.51 105.19 102.04 2eea n GLY 60 Ca -0.05 -0.88 0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.92 1.61 0.13 -1.88 -3.46 132.00 124.48 2eea h PRO 61 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 2eea h PRO 61 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2eea h PRO 61 CO 0.00 0.00 -0.10 0.45 -0.23 0.00 0.00 178.00 178.12 2eea s SER 62 N -5.56 0.78 -0.32 1.44 0.15 -1.26 -5.05 113.70 103.88 2eea s SER 62 Ca 0.01 -1.44 -0.15 0.00 0.70 0.00 0.00 55.95 55.08 2eea s SER 62 Cb 0.09 0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 65.09 2eea s SER 62 CO 0.53 -1.38 0.36 -1.59 1.20 0.00 0.00 173.24 172.35 2eea s LYS 63 N -2.88 3.71 -0.13 5.44 -2.85 -1.26 -4.88 119.74 116.89 2eea s LYS 63 Ca 0.28 -0.28 -0.05 0.00 -1.00 0.00 0.00 55.97 54.91 2eea s LYS 63 Cb -0.01 -3.76 -0.04 0.00 -2.06 0.00 0.00 37.83 31.96 2eea s LYS 63 CO 0.19 -0.44 0.05 0.00 0.10 0.00 0.00 175.35 175.25 2eea s ALA 64 N 2.03 3.45 0.87 0.59 0.00 -1.26 -4.87 121.76 122.57 2eea s ALA 64 Ca 0.12 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 2eea s ALA 64 Cb -0.16 -1.77 0.11 0.00 0.00 0.00 0.00 23.12 21.30 2eea s ALA 64 CO 0.11 0.42 1.13 -1.21 0.00 0.00 0.00 175.76 176.20 2eea s GLU 65 N -0.36 1.50 -0.12 0.00 0.41 -1.26 -4.92 118.70 113.95 2eea s GLU 65 Ca 0.09 0.39 -0.05 0.00 -0.41 0.00 0.00 54.97 55.00 2eea s GLU 65 Cb -0.12 -1.87 0.06 0.00 -1.78 0.00 0.00 34.13 30.42 2eea s GLU 65 CO 0.02 -1.97 0.24 0.42 -0.49 0.00 0.00 175.26 173.48 2eea s ILE 66 N -3.26 -0.35 -0.79 -1.63 1.01 -1.26 -4.13 121.20 110.79 2eea s ILE 66 Ca 0.63 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 61.48 2eea s ILE 66 Cb -0.14 -0.41 0.20 0.00 0.01 0.00 0.00 42.46 42.12 2eea s ILE 66 CO 0.53 0.12 0.68 -0.44 0.00 0.00 0.00 174.94 175.83 2eea s SER 67 N 2.25 6.13 0.37 3.58 0.01 -0.84 -5.02 113.70 120.18 2eea s SER 67 Ca 0.00 -3.02 -0.28 0.00 1.31 0.00 0.00 55.95 53.96 2eea s SER 67 Cb -0.12 -2.03 -0.11 0.00 0.21 0.00 0.00 66.02 63.97 2eea s SER 67 CO -0.08 -0.40 1.50 0.00 0.41 0.00 0.00 173.24 174.67 2eea s ILE 69 N -1.05 1.21 -0.28 0.00 1.01 -0.51 -5.02 121.20 116.57 2eea s ILE 69 Ca 0.54 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.60 2eea s ILE 69 Cb -0.47 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2eea s ILE 69 CO 0.63 0.39 0.35 -0.62 0.00 0.00 0.00 174.94 175.69 2eea s ASP 70 N 1.30 6.21 -0.07 3.58 2.15 -1.26 -2.74 116.67 125.84 2eea s ASP 70 Ca -0.02 0.18 0.21 0.00 0.43 0.00 0.00 52.55 53.34 2eea s ASP 70 Cb -0.14 -2.20 -0.29 0.00 -0.30 0.00 0.00 42.92 40.00 2eea s ASP 70 CO -0.05 -0.19 0.40 0.59 -0.17 0.00 0.00 175.17 175.75 2eea n ASN 71 N 5.31 0.08 -3.37 -0.34 3.02 -1.26 -4.99 115.26 113.71 2eea n ASN 71 Ca -0.09 0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.25 2eea n ASN 71 Cb 0.51 1.54 0.03 0.00 -0.61 0.00 0.00 39.78 41.25 2eea n ASN 71 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2eea n LYS 72 N -2.46 -5.25 -2.20 3.52 4.76 -1.26 -4.88 118.16 110.39 2eea n LYS 72 Ca -0.13 0.74 -0.11 0.00 -2.87 0.00 0.00 58.31 55.94 2eea n LYS 72 Cb 0.76 -5.61 0.05 0.00 -1.84 0.00 0.00 35.03 28.38 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 -2.62 3.20 -0.37 4.39 8.00 -1.26 -4.92 116.55 122.96 2eea n ASP 73 Ca -0.04 -3.00 -0.05 0.00 0.71 0.00 0.00 54.79 52.41 2eea n ASP 73 Cb 0.57 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.63 0.72 3.49 0.44 0.00 -1.26 -4.98 105.19 102.98 2eea n GLY 74 Ca 0.26 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.02 0.00 0.00 2.61 -4.23 -1.22 -2.91 115.64 107.88 2eea s THR 75 Ca 0.00 -1.57 -0.05 0.00 -1.18 0.00 0.00 61.69 58.89 2eea s THR 75 Cb 0.00 -2.40 -0.00 0.00 1.34 0.00 0.00 72.50 71.43 2eea s THR 75 CO 0.00 0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.17 2eea s THR 77 N -1.30 1.64 -0.20 0.00 2.01 -1.11 -1.00 115.64 115.68 2eea s THR 77 Ca -0.14 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 2eea s THR 77 Cb -0.08 -1.39 0.06 0.00 0.01 0.00 0.00 72.50 71.10 2eea s THR 77 CO 0.01 0.46 0.02 -0.69 -0.69 0.00 0.00 174.62 173.74 2eea s VAL 78 N -0.13 0.68 -0.01 3.82 1.01 -1.05 -1.42 120.40 123.30 2eea s VAL 78 Ca -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2eea s VAL 78 Cb -0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2eea s VAL 78 CO 0.02 -0.21 0.09 -0.89 0.00 0.00 0.00 175.10 174.11 2eea s THR 79 N 1.79 4.79 -0.05 3.92 2.01 -1.25 -2.05 115.64 124.81 2eea s THR 79 Ca -0.01 -0.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 2eea s THR 79 Cb -0.17 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.18 2eea s THR 79 CO -0.08 0.36 0.35 -0.72 -0.69 0.00 0.00 174.62 173.84 2eea s TYR 80 N -1.20 -0.27 -0.22 4.92 1.13 -0.08 -1.99 117.35 119.64 2eea s TYR 80 Ca 0.23 0.50 0.01 0.00 -1.41 0.00 0.00 57.07 56.40 2eea s TYR 80 Cb -0.12 0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.92 2eea s TYR 80 CO 0.14 -0.36 -0.08 -1.17 -2.51 0.00 0.00 175.55 171.56 2eea s LEU 81 N -0.96 2.60 0.71 -3.49 2.96 -1.26 -2.78 118.68 116.46 2eea s LEU 81 Ca -0.10 -1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 52.58 2eea s LEU 81 Cb -0.04 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.41 2eea s LEU 81 CO 0.04 -0.19 1.10 -2.16 -1.32 0.00 0.00 176.35 173.82 2eea s PRO 82 N 1.34 2.55 -0.07 0.98 0.04 -1.26 -4.43 135.00 134.16 2eea s PRO 82 Ca -0.04 1.30 0.06 0.00 0.04 0.00 0.00 61.00 62.35 2eea s PRO 82 Cb -0.18 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2eea s PRO 82 CO -0.07 -1.43 0.02 0.25 0.04 0.00 0.00 177.00 175.82 2eea n THR 83 N -2.90 0.48 -4.21 1.26 -2.24 -1.26 -2.20 114.28 103.20 2eea n THR 83 Ca 0.10 -0.29 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 2eea n THR 83 Cb 0.52 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.80 2eea n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2eea s LEU 84 N -4.51 2.04 -0.01 3.22 1.43 -1.26 -4.60 118.68 114.98 2eea s LEU 84 Ca -0.03 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2eea s LEU 84 Cb 0.02 -0.32 -0.06 0.00 0.03 0.00 0.00 46.19 45.87 2eea s LEU 84 CO 0.28 0.05 1.46 -2.16 0.23 0.00 0.00 176.35 176.21 2eea s PRO 85 N -0.30 4.25 0.00 1.29 0.04 -1.26 -4.88 135.00 134.14 2eea s PRO 85 Ca 0.01 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2eea s PRO 85 Cb -0.03 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2eea s PRO 85 CO -0.00 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2eea n GLY 86 N 3.76 2.20 3.66 0.56 0.00 -0.97 -4.93 105.19 109.48 2eea n GLY 86 Ca 0.14 -0.63 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 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 3.65 -4.50 1.61 8.00 -1.26 -4.11 116.55 119.94 2eea n ASP 87 Ca 0.00 0.87 -0.38 0.00 0.71 0.00 0.00 54.79 55.99 2eea n ASP 87 Cb 0.00 -1.44 -0.12 0.00 -0.02 0.00 0.00 41.12 39.55 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 4.66 3.17 -0.70 1.24 2.02 -1.15 -4.47 117.35 122.12 2eea s TYR 88 Ca 0.93 -0.25 -0.25 0.00 -0.37 0.00 0.00 57.07 57.12 2eea s TYR 88 Cb -0.58 -2.35 0.04 0.00 -0.40 0.00 0.00 41.96 38.67 2eea s TYR 88 CO 0.47 -0.32 1.16 0.45 -1.57 0.00 0.00 175.55 175.74 2eea s SER 89 N 1.68 6.18 0.23 2.29 0.15 0.18 -3.12 113.70 121.29 2eea s SER 89 Ca 0.06 -0.61 -0.29 0.00 0.70 0.00 0.00 55.95 55.81 2eea s SER 89 Cb -0.16 -2.51 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 2eea s SER 89 CO 0.08 -1.67 0.92 -0.63 1.20 0.00 0.00 173.24 173.13 2eea s ILE 90 N 5.09 4.12 -0.12 6.45 1.01 -0.64 0.10 121.20 137.21 2eea s ILE 90 Ca 0.31 2.04 -0.02 0.00 0.00 0.00 0.00 60.65 62.98 2eea s ILE 90 Cb -0.11 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.09 2eea s ILE 90 CO 0.14 0.50 -0.01 -0.76 0.00 0.00 0.00 174.94 174.81 2eea s LEU 91 N -1.16 0.94 -0.04 2.97 1.43 0.37 -2.47 118.68 120.73 2eea s LEU 91 Ca 0.40 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2eea s LEU 91 Cb -0.26 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.39 2eea s LEU 91 CO 0.31 -0.21 -0.07 -0.69 0.23 0.00 0.00 176.35 175.92 2eea s VAL 92 N 1.87 0.70 0.11 -1.59 1.01 -1.26 0.68 120.40 121.91 2eea s VAL 92 Ca 0.03 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2eea s VAL 92 Cb -0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2eea s VAL 92 CO -0.07 0.25 -0.21 -0.54 0.00 0.00 0.00 175.10 174.53 2eea s LYS 93 N 0.62 1.14 -0.20 2.72 1.02 -0.42 -3.43 119.74 121.19 2eea s LYS 93 Ca -0.10 -1.18 -0.01 0.00 0.02 0.00 0.00 55.97 54.70 2eea s LYS 93 Cb -0.13 -1.40 0.06 0.00 -0.52 0.00 0.00 37.83 35.84 2eea s LYS 93 CO 0.01 0.32 -0.01 -0.47 -0.92 0.00 0.00 175.35 174.28 2eea s TYR 94 N -1.22 1.64 -1.29 3.18 5.04 0.00 -0.88 117.35 123.83 2eea s TYR 94 Ca 0.07 -1.22 -0.05 0.00 -2.44 0.00 0.00 57.07 53.43 2eea s TYR 94 Cb -0.10 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 40.94 2eea s TYR 94 CO 0.04 -0.67 1.10 0.09 -1.34 0.00 0.00 175.55 174.78 2eea n ASN 95 N 4.88 -4.46 -2.99 4.32 3.02 0.63 -2.35 115.26 118.31 2eea n ASN 95 Ca -0.10 -0.58 -0.18 0.00 -0.03 0.00 0.00 54.58 53.68 2eea n ASN 95 Cb 0.46 -5.05 0.07 0.00 -0.61 0.00 0.00 39.78 34.64 2eea n ASN 95 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2eea n ASP 96 N -3.06 -4.95 -3.53 6.41 8.00 -1.26 -5.01 116.55 113.15 2eea n ASP 96 Ca -0.12 -0.45 -0.05 0.00 0.71 0.00 0.00 54.79 54.88 2eea n ASP 96 Cb 0.61 -4.17 -0.07 0.00 -0.02 0.00 0.00 41.12 37.47 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 -5.90 0.43 0.37 -1.24 1.02 -0.99 -5.14 119.74 108.28 2eea s LYS 97 Ca 0.39 1.05 -0.28 0.00 0.02 0.00 0.00 55.97 57.15 2eea s LYS 97 Cb -0.17 0.36 -0.11 0.00 -0.52 0.00 0.00 37.83 37.39 2eea s LYS 97 CO 0.59 -0.36 1.50 0.72 -0.92 0.00 0.00 175.35 176.88 2eea n HIS 98 N 5.41 2.97 -2.38 3.18 8.25 -1.26 -0.82 115.22 130.57 2eea n HIS 98 Ca -0.07 0.42 -0.33 0.00 -0.26 0.00 0.00 57.72 57.48 2eea n HIS 98 Cb 0.50 -2.54 -0.02 0.00 1.12 0.00 0.00 29.99 29.04 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 -0.97 4.07 -0.45 1.59 -4.36 -1.22 -4.87 121.20 114.99 2eea s ILE 99 Ca 0.55 1.11 -0.28 0.00 -0.26 0.00 0.00 60.65 61.77 2eea s ILE 99 Cb -0.48 -3.52 -0.01 0.00 1.25 0.00 0.00 42.46 39.70 2eea s ILE 99 CO 0.62 -0.46 1.76 -2.16 0.24 0.00 0.00 174.94 174.94 2eea s PRO 100 N -3.72 3.12 0.00 0.37 0.04 -1.26 -2.62 135.00 130.92 2eea s PRO 100 Ca 0.63 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2eea s PRO 100 Cb -0.14 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2eea s PRO 100 CO 0.28 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.60 2eea n GLY 101 N 5.47 1.36 3.96 0.56 0.00 -1.26 -4.92 105.19 110.36 2eea n GLY 101 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.02 6.26 0.76 1.61 0.01 -1.08 -4.28 113.70 115.96 2eea s SER 102 Ca 0.00 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 2eea s SER 102 Cb 0.00 -1.83 0.05 0.00 0.21 0.00 0.00 66.02 64.45 2eea s SER 102 CO 0.00 -0.20 1.09 -2.16 0.41 0.00 0.00 173.24 172.39 2eea s PRO 103 N -4.12 2.33 0.08 12.44 0.04 -1.26 -4.92 135.00 139.59 2eea s PRO 103 Ca 0.37 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 2eea s PRO 103 Cb -0.09 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2eea s PRO 103 CO 0.32 -1.59 0.24 -0.06 0.04 0.00 0.00 177.00 175.95 2eea s PHE 104 N -2.83 3.51 -0.46 0.56 0.08 -1.03 -4.90 117.98 112.91 2eea s PHE 104 Ca 0.62 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.96 2eea s PHE 104 Cb -0.18 -1.79 0.12 0.00 -0.57 0.00 0.00 43.02 40.61 2eea s PHE 104 CO 0.54 0.56 0.22 0.99 -0.10 0.00 0.00 175.22 177.43 2eea s THR 105 N -1.55 2.87 -0.35 0.64 2.01 -1.26 -1.62 115.64 116.38 2eea s THR 105 Ca 0.36 -2.68 -0.25 0.00 0.31 0.00 0.00 61.69 59.43 2eea s THR 105 Cb -0.13 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.41 2eea s THR 105 CO 0.28 -0.73 0.89 0.00 -0.69 0.00 0.00 174.62 174.36 2eea s ALA 106 N 0.43 3.45 -0.94 7.40 0.00 -1.18 -4.82 121.76 126.09 2eea s ALA 106 Ca 0.13 -0.44 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 2eea s ALA 106 Cb -0.22 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.46 2eea s ALA 106 CO -0.04 -1.49 1.49 0.21 0.00 0.00 0.00 175.76 175.93 2eea s LYS 107 N 3.32 3.37 -0.08 0.00 2.47 -1.10 -2.96 119.74 124.76 2eea s LYS 107 Ca 0.36 -0.81 -0.12 0.00 -1.56 0.00 0.00 55.97 53.85 2eea s LYS 107 Cb -0.13 -5.08 -0.05 0.00 -1.46 0.00 0.00 37.83 31.12 2eea s LYS 107 CO 0.17 -2.35 0.28 0.42 0.16 0.00 0.00 175.35 174.03 2eea s ILE 108 N 5.83 5.27 0.41 5.43 1.01 -1.26 -2.86 121.20 135.04 2eea s ILE 108 Ca 0.47 0.53 0.04 0.00 0.00 0.00 0.00 60.65 61.70 2eea s ILE 108 Cb -0.03 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2eea s ILE 108 CO -0.03 0.55 0.14 0.28 0.00 0.00 0.00 174.94 175.88 2eea s THR 109 N -0.70 0.55 -0.02 2.92 -1.32 -0.97 -2.29 115.64 113.81 2eea s THR 109 Ca 0.19 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.71 2eea s THR 109 Cb -0.14 -2.32 -0.03 0.00 -1.51 0.00 0.00 72.50 68.50 2eea s THR 109 CO 0.08 0.00 -0.13 -0.62 -2.21 0.00 0.00 174.62 171.74 2eea s ASP 110 N -3.61 4.16 -0.29 8.08 2.15 -1.26 -0.69 116.67 125.21 2eea s ASP 110 Ca 0.23 -0.21 0.09 0.00 0.43 0.00 0.00 52.55 53.09 2eea s ASP 110 Cb 0.02 -0.88 0.47 0.00 -0.30 0.00 0.00 42.92 42.23 2eea s ASP 110 CO 0.15 0.32 1.18 0.47 -0.17 0.00 0.00 175.17 177.12 2eea n ASP 111 N 2.01 4.50 0.01 -0.34 8.00 -1.26 -4.78 116.55 124.69 2eea n ASP 111 Ca -0.17 -3.53 -0.02 0.00 0.71 0.00 0.00 54.79 51.78 2eea n ASP 111 Cb 0.52 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 41.25 2eea n ASP 111 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2eea n SER 112 N -0.69 1.30 -4.52 -2.24 7.64 -1.26 -5.01 113.62 108.85 2eea n SER 112 Ca 0.39 0.19 -0.36 0.00 1.01 0.00 0.00 58.87 60.09 2eea n SER 112 Cb 0.94 -0.44 -0.12 0.00 -1.01 0.00 0.00 64.21 63.59 2eea n SER 112 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2eea s ARG 113 N -2.21 3.79 -0.47 1.43 3.52 -1.26 -5.06 118.95 118.69 2eea s ARG 113 Ca -0.08 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.08 2eea s ARG 113 Cb 0.01 -3.39 0.13 0.00 -1.56 0.00 0.00 34.95 30.14 2eea s ARG 113 CO 0.11 -0.10 0.28 -0.98 -0.81 0.00 0.00 175.30 173.80 2eea s ARG 114 N 1.42 2.20 0.00 5.12 3.03 -1.26 -5.03 118.95 124.43 2eea s ARG 114 Ca 0.06 -2.01 0.00 0.00 2.03 0.00 0.00 55.73 55.81 2eea s ARG 114 Cb -0.15 -3.66 0.00 0.00 -1.03 0.00 0.00 34.95 30.11 2eea s ARG 114 CO 0.05 -1.11 0.00 0.00 -1.13 0.00 0.00 175.30 173.11