#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5a n SER 2 N 0.00 0.00 -3.73 1.61 3.41 -1.26 -4.75 113.62 108.90 1x5a n SER 2 Ca 0.00 -0.71 -0.10 0.00 -0.26 0.00 0.00 58.87 57.79 1x5a n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1x5a n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5a s SER 3 N -1.94 -0.11 -0.35 4.04 0.01 -1.26 -5.12 113.70 108.97 1x5a s SER 3 Ca 0.28 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.91 1x5a s SER 3 Cb 0.13 0.40 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 1x5a s SER 3 CO 0.22 -0.74 1.58 -0.83 0.41 0.00 0.00 173.24 173.88 1x5a s GLY 4 N -2.55 1.02 -0.27 3.44 0.00 -1.26 -4.97 107.32 102.72 1x5a s GLY 4 Ca 0.01 0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.85 1x5a s GLY 4 CO -0.09 2.98 -0.09 -0.45 0.00 0.00 0.00 173.10 175.45 1x5a s SER 5 N 4.71 4.49 -0.18 1.64 0.15 -1.26 -4.99 113.70 118.26 1x5a s SER 5 Ca 0.69 -1.45 -0.02 0.00 0.70 0.00 0.00 55.95 55.88 1x5a s SER 5 Cb -0.19 -1.56 0.05 0.00 -1.71 0.00 0.00 66.02 62.61 1x5a s SER 5 CO 0.32 -0.21 2.33 -1.54 1.20 0.00 0.00 173.24 175.35 1x5a n SER 6 N 4.42 5.90 -3.75 5.45 3.41 -1.26 -4.81 113.62 122.99 1x5a n SER 6 Ca -0.13 -2.77 -0.13 0.00 -0.26 0.00 0.00 58.87 55.59 1x5a n SER 6 Cb 0.42 -1.16 -0.11 0.00 -0.26 0.00 0.00 64.21 63.11 1x5a n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5a s GLY 7 N 1.10 -0.26 -0.05 5.00 0.00 -1.26 -5.14 107.32 106.71 1x5a s GLY 7 Ca 0.29 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.74 1x5a s GLY 7 CO -0.03 0.95 0.96 0.00 0.00 0.00 0.00 173.10 174.98 1x5a s ALA 8 N 0.37 3.29 -0.68 3.20 0.00 -1.26 -4.96 121.76 121.72 1x5a s ALA 8 Ca -0.02 0.42 -0.26 0.00 0.00 0.00 0.00 51.96 52.10 1x5a s ALA 8 Cb -0.04 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 1x5a s ALA 8 CO -0.01 -0.39 2.02 -1.83 0.00 0.00 0.00 175.76 175.55 1x5a s GLU 9 N 1.44 2.43 -0.72 0.00 -1.05 -1.26 -4.91 118.70 114.63 1x5a s GLU 9 Ca 0.49 0.51 -0.27 0.00 -0.15 0.00 0.00 54.97 55.54 1x5a s GLU 9 Cb -0.19 -4.62 0.02 0.00 -0.44 0.00 0.00 34.13 28.89 1x5a s GLU 9 CO 0.22 -3.13 1.35 -1.12 0.95 0.00 0.00 175.26 173.53 1x5a s SER 10 N 9.01 6.06 -0.07 0.83 0.01 -1.26 -4.96 113.70 123.32 1x5a s SER 10 Ca 0.75 -0.32 -0.09 0.00 1.31 0.00 0.00 55.95 57.60 1x5a s SER 10 Cb -0.12 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.58 1x5a s SER 10 CO 0.15 -1.90 0.23 -0.22 0.41 0.00 0.00 173.24 171.91 1x5a s LEU 11 N 6.14 1.14 0.03 2.44 2.96 -1.26 -5.07 118.68 125.07 1x5a s LEU 11 Ca 0.40 0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 54.38 1x5a s LEU 11 Cb -0.09 0.82 -0.17 0.00 0.50 0.00 0.00 46.19 47.25 1x5a s LEU 11 CO 0.16 -0.14 1.36 -1.28 -1.32 0.00 0.00 176.35 175.13 1x5a h SER 12 N 5.45 -0.66 0.00 3.68 0.87 -2.01 -3.45 113.55 117.43 1x5a h SER 12 Ca -0.27 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1x5a h SER 12 Cb 1.19 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1x5a h SER 12 CO 0.37 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 1x5a n GLY 13 N -0.90 0.00 2.87 5.77 0.00 -1.26 -4.76 105.19 106.92 1x5a n GLY 13 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1x5a n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5a n LEU 14 N 0.00 4.28 -4.42 0.99 4.77 -1.26 -3.07 117.00 118.28 1x5a n LEU 14 Ca 0.00 -5.64 -0.44 0.00 -0.03 0.00 0.00 56.01 49.90 1x5a n LEU 14 Cb 0.00 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 1x5a n LEU 14 CO 0.00 2.34 0.25 -0.44 -1.33 0.00 0.00 177.39 178.21 1x5a s SER 15 N -3.37 6.20 0.53 -1.43 0.01 -1.26 -4.78 113.70 109.60 1x5a s SER 15 Ca 0.48 -1.07 -0.21 0.00 1.31 0.00 0.00 55.95 56.46 1x5a s SER 15 Cb 0.28 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 64.18 1x5a s SER 15 CO -0.13 -0.84 1.13 0.18 0.41 0.00 0.00 173.24 173.99 1x5a n LEU 16 N 5.90 4.12 -4.11 2.44 4.77 -1.26 -4.68 117.00 124.17 1x5a n LEU 16 Ca -0.08 0.93 -0.10 0.00 -0.03 0.00 0.00 56.01 56.72 1x5a n LEU 16 Cb 0.45 -1.45 -0.10 0.00 -2.33 0.00 0.00 43.42 39.98 1x5a n LEU 16 CO 0.52 -1.27 -0.38 -1.59 -1.33 0.00 0.00 177.39 173.34 1x5a s LYS 17 N -2.61 0.67 -0.73 3.23 -2.85 -1.24 -5.00 119.74 111.22 1x5a s LYS 17 Ca 0.71 -1.12 -0.18 0.00 -1.00 0.00 0.00 55.97 54.38 1x5a s LYS 17 Cb -0.45 -0.11 0.13 0.00 -2.06 0.00 0.00 37.83 35.34 1x5a s LYS 17 CO 0.50 -0.03 0.84 -1.17 0.10 0.00 0.00 175.35 175.59 1x5a s LEU 18 N -2.55 5.54 -0.05 2.77 2.96 -1.26 -3.45 118.68 122.64 1x5a s LEU 18 Ca 0.03 -1.82 -0.19 0.00 -0.22 0.00 0.00 54.13 51.93 1x5a s LEU 18 Cb 0.01 -2.31 -0.14 0.00 0.50 0.00 0.00 46.19 44.25 1x5a s LEU 18 CO -0.04 -1.01 0.79 0.58 -1.32 0.00 0.00 176.35 175.34 1x5a h VAL 19 N 5.67 0.70 -3.34 1.68 2.07 -0.61 -3.45 116.25 118.97 1x5a h VAL 19 Ca -0.10 -1.08 -0.46 0.00 0.82 0.00 0.00 66.70 65.89 1x5a h VAL 19 Cb 1.06 1.19 -0.36 0.00 -1.52 0.00 0.00 31.29 31.66 1x5a h VAL 19 CO 1.04 0.19 -0.78 -0.75 0.02 0.00 0.00 177.57 177.28 1x5a s LYS 20 N -3.27 1.04 -0.22 1.57 2.20 -0.93 -4.97 119.74 115.15 1x5a s LYS 20 Ca -0.11 -0.12 -0.10 0.00 -0.36 0.00 0.00 55.97 55.28 1x5a s LYS 20 Cb 0.00 -1.11 -0.05 0.00 -1.51 0.00 0.00 37.83 35.17 1x5a s LYS 20 CO 0.42 -0.16 0.13 0.21 -0.36 0.00 0.00 175.35 175.59 1x5a s LYS 21 N 1.32 4.05 0.06 4.03 2.20 -1.26 -1.65 119.74 128.49 1x5a s LYS 21 Ca -0.04 -0.29 -0.05 0.00 -0.36 0.00 0.00 55.97 55.23 1x5a s LYS 21 Cb -0.14 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1x5a s LYS 21 CO -0.03 0.13 0.09 -1.21 -0.36 0.00 0.00 175.35 173.97 1x5a s GLU 22 N 0.84 0.69 0.31 4.03 0.41 -0.84 -4.78 118.70 119.36 1x5a s GLU 22 Ca 0.07 -1.00 0.10 0.00 -0.41 0.00 0.00 54.97 53.73 1x5a s GLU 22 Cb -0.13 0.27 0.50 0.00 -1.78 0.00 0.00 34.13 32.99 1x5a s GLU 22 CO 0.02 -0.18 1.70 -1.00 -0.49 0.00 0.00 175.26 175.32 1x5a h PRO 23 N 3.13 0.07 0.00 0.39 0.13 -1.91 -2.91 132.00 130.91 1x5a h PRO 23 Ca -0.34 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 1x5a h PRO 23 Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1x5a h PRO 23 CO 0.58 0.54 -0.70 0.54 -0.23 0.00 0.00 178.00 178.73 1x5a n ARG 24 N -3.97 0.80 -3.51 0.86 1.74 -1.26 -1.32 116.66 110.00 1x5a n ARG 24 Ca -0.02 -2.57 -0.13 0.00 -0.77 0.00 0.00 57.85 54.37 1x5a n ARG 24 Cb 0.51 -0.86 -0.04 0.00 -1.02 0.00 0.00 32.46 31.05 1x5a n ARG 24 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x5a s GLN 25 N -1.65 0.94 -0.19 5.56 0.74 -1.23 -2.77 119.66 121.07 1x5a s GLN 25 Ca 0.34 -0.07 -0.09 0.00 0.05 0.00 0.00 55.36 55.59 1x5a s GLN 25 Cb 0.35 0.44 0.07 0.00 1.10 0.00 0.00 33.01 34.97 1x5a s GLN 25 CO -0.10 -0.35 0.43 -0.51 -0.55 0.00 0.00 175.29 174.20 1x5a s LEU 26 N -1.84 -0.34 -0.12 3.68 1.43 -0.46 -2.00 118.68 119.04 1x5a s LEU 26 Ca -0.02 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1x5a s LEU 26 Cb -0.01 1.42 -0.01 0.00 0.03 0.00 0.00 46.19 47.62 1x5a s LEU 26 CO -0.02 -0.21 -0.19 -0.70 0.23 0.00 0.00 176.35 175.47 1x5a s GLU 27 N 1.84 3.21 0.07 1.70 2.12 -0.66 -1.29 118.70 125.70 1x5a s GLU 27 Ca -0.07 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.49 1x5a s GLU 27 Cb -0.09 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 1x5a s GLU 27 CO -0.13 0.19 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.20 1x5a s LEU 28 N 0.36 2.42 -0.10 2.70 1.43 -1.09 0.19 118.68 124.59 1x5a s LEU 28 Ca -0.15 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.04 1x5a s LEU 28 Cb -0.17 -0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.01 1x5a s LEU 28 CO 0.07 -0.39 0.24 0.28 0.23 0.00 0.00 176.35 176.78 1x5a s THR 29 N -2.89 -0.02 -0.20 5.49 -1.32 -1.22 -2.02 115.64 113.45 1x5a s THR 29 Ca 0.04 0.08 -0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1x5a s THR 29 Cb 0.00 -0.36 0.05 0.00 -1.51 0.00 0.00 72.50 70.69 1x5a s THR 29 CO -0.03 0.03 -0.05 -1.66 -2.21 0.00 0.00 174.62 170.70 1x5a s TRP 30 N 0.71 1.99 -0.05 9.09 -2.14 0.82 -3.60 118.94 125.77 1x5a s TRP 30 Ca -0.05 -1.38 -0.02 0.00 2.66 0.00 0.00 56.10 57.32 1x5a s TRP 30 Cb -0.06 -1.43 -0.02 0.00 -3.10 0.00 0.00 33.47 28.86 1x5a s TRP 30 CO -0.04 -0.69 -0.05 0.00 -2.66 0.00 0.00 176.95 173.50 1x5a n ALA 31 N 4.79 2.48 0.00 2.67 0.00 -1.26 -4.67 120.51 124.52 1x5a n ALA 31 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1x5a n ALA 31 Cb 0.46 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1x5a n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x5a n GLY 32 N 2.87 -0.84 0.38 0.00 0.00 -1.18 -4.82 105.19 101.61 1x5a n GLY 32 Ca -0.09 -2.24 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 1x5a n GLY 32 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x5a h SER 33 N 0.00 -0.78 -4.21 1.61 0.87 -1.85 -3.46 113.55 105.73 1x5a h SER 33 Ca 0.00 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 1x5a h SER 33 Cb 0.00 0.20 -0.24 0.00 -0.44 0.00 0.00 62.40 61.92 1x5a h SER 33 CO 0.00 -0.48 -0.46 0.00 -0.53 0.00 0.00 176.83 175.36 1x5a s ARG 34 N -5.46 0.34 -0.05 2.24 1.04 -1.26 -5.13 118.95 110.67 1x5a s ARG 34 Ca -0.17 0.07 -0.30 0.00 -1.04 0.00 0.00 55.73 54.30 1x5a s ARG 34 Cb 0.02 0.15 -0.05 0.00 -2.04 0.00 0.00 34.95 33.04 1x5a s ARG 34 CO 0.55 -0.06 1.49 -1.25 -0.04 0.00 0.00 175.30 175.99 1x5a s PRO 35 N -0.39 4.23 -0.22 3.89 0.04 -1.26 -4.99 135.00 136.29 1x5a s PRO 35 Ca -0.05 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1x5a s PRO 35 Cb -0.03 -3.77 0.11 0.00 0.04 0.00 0.00 34.50 30.85 1x5a s PRO 35 CO 0.01 -0.72 0.31 0.50 0.04 0.00 0.00 177.00 177.14 1x5a s ARG 36 N 3.26 0.27 0.01 4.56 3.52 -1.26 -5.15 118.95 124.16 1x5a s ARG 36 Ca 0.66 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 1x5a s ARG 36 Cb -0.31 -0.77 -0.01 0.00 -1.56 0.00 0.00 34.95 32.31 1x5a s ARG 36 CO 0.26 -0.63 -0.01 -0.80 -0.81 0.00 0.00 175.30 173.31 1x5a s ASN 37 N 2.45 0.08 0.33 -2.12 0.01 -1.26 -5.04 114.94 109.38 1x5a s ASN 37 Ca 0.10 -0.13 0.12 0.00 -0.71 0.00 0.00 52.86 52.23 1x5a s ASN 37 Cb -0.15 0.02 0.56 0.00 0.41 0.00 0.00 41.25 42.08 1x5a s ASN 37 CO -0.14 -0.07 1.73 1.55 -1.51 0.00 0.00 177.10 178.65 1x5a h PRO 38 N 5.76 0.00 0.00 -0.60 0.13 -2.03 -3.46 132.00 131.80 1x5a h PRO 38 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1x5a h PRO 38 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x5a h PRO 38 CO 0.48 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 1x5a n GLY 39 N -0.13 0.71 0.00 1.56 0.00 -1.26 -5.15 105.19 100.92 1x5a n GLY 39 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x5a n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5a n GLY 40 N 0.00 1.49 3.13 -0.02 0.00 -1.26 -5.14 105.19 103.39 1x5a n GLY 40 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1x5a n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5a n ASN 41 N 0.00 -4.44 -4.27 1.61 6.94 -1.26 -5.02 115.26 108.83 1x5a n ASN 41 Ca 0.00 0.18 -0.29 0.00 -0.02 0.00 0.00 54.58 54.45 1x5a n ASN 41 Cb 0.00 -0.86 -0.07 0.00 -2.36 0.00 0.00 39.78 36.48 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1x5a s LEU 42 N 5.02 2.05 0.53 -4.53 1.02 -1.26 -5.17 118.68 116.34 1x5a s LEU 42 Ca 0.45 -1.73 0.08 0.00 0.02 0.00 0.00 54.13 52.95 1x5a s LEU 42 Cb -0.15 -0.26 0.06 0.00 0.02 0.00 0.00 46.19 45.86 1x5a s LEU 42 CO 0.76 -0.98 0.72 -0.44 0.02 0.00 0.00 176.35 176.44 1x5a s SER 43 N -3.72 5.27 -0.08 2.29 0.01 -1.26 -4.93 113.70 111.27 1x5a s SER 43 Ca 0.15 -0.61 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 1x5a s SER 43 Cb 0.01 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.13 1x5a s SER 43 CO 0.10 -1.15 0.18 -0.31 0.41 0.00 0.00 173.24 172.47 1x5a s TYR 44 N -2.59 -0.22 -0.27 2.43 2.02 -0.56 -2.22 117.35 115.93 1x5a s TYR 44 Ca 0.59 0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 57.78 1x5a s TYR 44 Cb -0.08 -0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.38 1x5a s TYR 44 CO 0.37 -0.20 0.23 -2.00 -1.57 0.00 0.00 175.55 172.37 1x5a s GLU 45 N 1.35 3.99 -0.17 -0.62 2.56 0.06 -0.86 118.70 125.01 1x5a s GLU 45 Ca -0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 54.97 54.60 1x5a s GLU 45 Cb -0.11 -3.64 -0.04 0.00 2.00 0.00 0.00 34.13 32.34 1x5a s GLU 45 CO -0.07 -0.15 0.05 -1.17 -0.56 0.00 0.00 175.26 173.36 1x5a s LEU 46 N 1.69 3.79 -0.20 2.70 1.98 -0.70 -1.76 118.68 126.19 1x5a s LEU 46 Ca 0.09 0.09 -0.02 0.00 -2.89 0.00 0.00 54.13 51.40 1x5a s LEU 46 Cb -0.16 -1.95 0.06 0.00 0.66 0.00 0.00 46.19 44.81 1x5a s LEU 46 CO 0.10 0.20 0.02 -2.28 -1.89 0.00 0.00 176.35 172.50 1x5a s HIS 47 N 0.19 1.25 -0.17 5.38 5.65 -0.33 0.64 115.29 127.91 1x5a s HIS 47 Ca 0.04 -0.99 -0.07 0.00 0.25 0.00 0.00 55.06 54.29 1x5a s HIS 47 Cb -0.12 -1.12 -0.04 0.00 -1.18 0.00 0.00 32.58 30.12 1x5a s HIS 47 CO 0.01 -0.63 0.08 0.08 -0.65 0.00 0.00 174.74 173.63 1x5a s VAL 48 N 1.78 5.01 -0.21 0.89 1.01 0.83 -2.37 120.40 127.34 1x5a s VAL 48 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1x5a s VAL 48 Cb -0.17 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1x5a s VAL 48 CO -0.08 0.49 -0.11 -0.76 0.00 0.00 0.00 175.10 174.65 1x5a s LEU 49 N 0.04 2.46 0.75 3.92 1.02 0.07 -0.57 118.68 126.36 1x5a s LEU 49 Ca 0.07 -0.96 -0.06 0.00 0.02 0.00 0.00 54.13 53.20 1x5a s LEU 49 Cb -0.12 -1.30 0.11 0.00 0.02 0.00 0.00 46.19 44.90 1x5a s LEU 49 CO 0.00 -0.14 1.06 0.21 0.02 0.00 0.00 176.35 177.50 1x5a s ASN 50 N 1.34 4.33 0.17 2.29 3.84 0.54 -2.08 114.94 125.38 1x5a s ASN 50 Ca -0.02 0.12 -0.14 0.00 0.21 0.00 0.00 52.86 53.03 1x5a s ASN 50 Cb -0.17 -0.57 0.07 0.00 -0.55 0.00 0.00 41.25 40.03 1x5a s ASN 50 CO -0.08 -1.89 1.82 1.56 -2.79 0.00 0.00 177.10 175.71 1x5a h GLN 51 N -0.75 0.58 0.00 0.43 1.08 -2.01 -3.24 115.11 111.20 1x5a h GLN 51 Ca -0.42 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1x5a h GLN 51 Cb 1.28 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1x5a h GLN 51 CO 0.49 0.38 0.00 -0.40 -0.95 0.00 0.00 178.83 178.35 1x5a n ASP 52 N -4.80 1.43 -4.26 1.46 5.68 -1.26 -5.05 116.55 109.76 1x5a n ASP 52 Ca 0.03 -1.59 -0.14 0.00 -0.50 0.00 0.00 54.79 52.59 1x5a n ASP 52 Cb 0.06 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.94 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1x5a s GLU 53 N -0.59 1.08 -0.22 0.11 2.02 -1.22 -5.15 118.70 114.74 1x5a s GLU 53 Ca 0.00 -1.47 -0.08 0.00 0.02 0.00 0.00 54.97 53.44 1x5a s GLU 53 Cb 0.00 -0.61 0.09 0.00 0.10 0.00 0.00 34.13 33.72 1x5a s GLU 53 CO 0.00 0.05 0.47 -2.00 0.02 0.00 0.00 175.26 173.80 1x5a s GLU 54 N -3.76 0.39 -0.05 1.61 -6.30 -1.26 0.20 118.70 109.52 1x5a s GLU 54 Ca 0.18 1.10 -0.12 0.00 -2.50 0.00 0.00 54.97 53.63 1x5a s GLU 54 Cb 0.03 0.39 0.02 0.00 0.00 0.00 0.00 34.13 34.57 1x5a s GLU 54 CO 0.01 -0.23 0.28 1.67 0.02 0.00 0.00 175.26 177.01 1x5a s TRP 55 N 2.52 -0.21 0.05 5.30 -2.14 0.26 -4.98 118.94 119.75 1x5a s TRP 55 Ca -0.03 0.43 0.06 0.00 2.66 0.00 0.00 56.10 59.22 1x5a s TRP 55 Cb -0.11 0.08 -0.03 0.00 -3.10 0.00 0.00 33.47 30.31 1x5a s TRP 55 CO -0.14 -0.27 -0.17 -3.38 -2.66 0.00 0.00 176.95 170.33 1x5a s HIS 56 N -0.68 1.51 -0.05 1.66 -3.43 -1.26 -0.12 115.29 112.92 1x5a s HIS 56 Ca -0.08 -0.38 -0.02 0.00 -0.80 0.00 0.00 55.06 53.78 1x5a s HIS 56 Cb -0.04 -0.88 0.04 0.00 -1.43 0.00 0.00 32.58 30.26 1x5a s HIS 56 CO 0.02 0.08 0.09 1.14 -2.00 0.00 0.00 174.74 174.08 1x5a s GLN 57 N -1.33 0.00 -0.04 -0.38 -2.07 0.21 -4.96 119.66 111.08 1x5a s GLN 57 Ca 0.04 0.35 -0.29 0.00 -1.82 0.00 0.00 55.36 53.65 1x5a s GLN 57 Cb -0.09 -0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 31.52 1x5a s GLN 57 CO 0.02 -0.23 0.95 1.41 -1.32 0.00 0.00 175.29 176.12 1x5a s MET 58 N 1.58 4.50 0.19 9.60 -2.45 -1.26 -1.71 119.30 129.74 1x5a s MET 58 Ca -0.04 1.33 0.08 0.00 -1.25 0.00 0.00 55.69 55.81 1x5a s MET 58 Cb -0.12 -3.49 -0.04 0.00 1.25 0.00 0.00 34.83 32.43 1x5a s MET 58 CO -0.04 -0.12 -0.15 0.14 1.05 0.00 0.00 175.02 175.89 1x5a s VAL 59 N 1.31 1.74 -0.18 10.11 -7.23 -0.04 -4.91 120.40 121.19 1x5a s VAL 59 Ca 0.49 -2.10 0.13 0.00 -1.81 0.00 0.00 61.98 58.69 1x5a s VAL 59 Cb -0.20 -1.95 -0.23 0.00 0.56 0.00 0.00 36.38 34.56 1x5a s VAL 59 CO 0.23 -0.50 0.13 0.18 -0.31 0.00 0.00 175.10 174.83 1x5a n LEU 60 N -0.13 0.74 -4.86 1.32 4.77 -1.26 -1.50 117.00 116.07 1x5a n LEU 60 Ca -0.10 0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.62 1x5a n LEU 60 Cb 0.59 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.78 1x5a n LEU 60 CO 0.33 0.57 0.37 -1.83 -1.33 0.00 0.00 177.39 175.49 1x5a s GLU 61 N -2.51 3.88 0.00 3.23 -1.05 -1.26 -4.54 118.70 116.44 1x5a s GLU 61 Ca -0.14 0.49 0.07 0.00 -0.15 0.00 0.00 54.97 55.25 1x5a s GLU 61 Cb 0.07 -2.48 0.44 0.00 -0.44 0.00 0.00 34.13 31.71 1x5a s GLU 61 CO 0.79 0.15 0.89 -0.35 0.95 0.00 0.00 175.26 177.68 1x5a n PRO 62 N -0.59 0.49 -4.42 -4.83 -0.04 -1.26 -4.71 135.00 119.64 1x5a n PRO 62 Ca 0.02 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.25 1x5a n PRO 62 Cb 0.53 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 1x5a n PRO 62 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1x5a s ARG 63 N -2.00 1.53 -0.15 0.54 1.70 -1.26 -0.12 118.95 119.19 1x5a s ARG 63 Ca 0.11 -1.64 -0.07 0.00 -0.47 0.00 0.00 55.73 53.66 1x5a s ARG 63 Cb 0.05 -1.62 0.06 0.00 -0.57 0.00 0.00 34.95 32.87 1x5a s ARG 63 CO 0.08 0.31 0.35 0.54 -1.08 0.00 0.00 175.30 175.50 1x5a s VAL 64 N -2.35 -0.12 -0.33 4.99 0.11 -0.86 -4.92 120.40 116.91 1x5a s VAL 64 Ca 0.25 0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 59.38 1x5a s VAL 64 Cb -0.05 -0.53 0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1x5a s VAL 64 CO 0.11 0.06 0.09 -0.22 -3.33 0.00 0.00 175.10 171.81 1x5a s LEU 65 N 1.57 4.27 -0.08 2.54 1.98 -1.26 -2.66 118.68 125.04 1x5a s LEU 65 Ca -0.08 -1.18 -0.11 0.00 -2.89 0.00 0.00 54.13 49.88 1x5a s LEU 65 Cb -0.10 -1.84 -0.05 0.00 0.66 0.00 0.00 46.19 44.86 1x5a s LEU 65 CO -0.11 -0.32 0.27 -0.76 -1.89 0.00 0.00 176.35 173.53 1x5a s LEU 66 N 1.38 4.41 0.37 -0.68 1.43 -0.41 -4.96 118.68 120.21 1x5a s LEU 66 Ca -0.02 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.79 1x5a s LEU 66 Cb -0.20 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 1x5a s LEU 66 CO 0.02 0.34 0.12 0.42 0.23 0.00 0.00 176.35 177.48 1x5a s THR 67 N -0.87 0.67 -1.07 5.49 -4.23 -1.26 -1.35 115.64 113.01 1x5a s THR 67 Ca 0.19 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1x5a s THR 67 Cb -0.14 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1x5a s THR 67 CO 0.08 0.00 0.92 0.29 -0.54 0.00 0.00 174.62 175.37 1x5a n LYS 68 N -0.80 -6.15 -2.61 3.99 5.02 -1.11 -4.93 118.16 111.57 1x5a n LYS 68 Ca -0.04 0.69 -0.15 0.00 -2.02 0.00 0.00 58.31 56.80 1x5a n LYS 68 Cb 0.65 -5.30 0.03 0.00 -0.02 0.00 0.00 35.03 30.40 1x5a n LYS 68 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x5a n LEU 69 N -3.97 0.00 -4.33 -0.35 4.77 -1.23 -5.04 117.00 106.86 1x5a n LEU 69 Ca -0.09 -1.78 -0.30 0.00 -0.03 0.00 0.00 56.01 53.80 1x5a n LEU 69 Cb 0.59 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.33 1x5a n LEU 69 CO 0.52 -0.58 -0.57 -1.10 -1.33 0.00 0.00 177.39 174.33 1x5a s GLN 70 N -3.69 1.90 0.39 3.23 -1.52 -1.19 -4.43 119.66 114.36 1x5a s GLN 70 Ca 0.34 -1.04 -0.26 0.00 -1.95 0.00 0.00 55.36 52.45 1x5a s GLN 70 Cb -0.03 -1.99 -0.09 0.00 -0.22 0.00 0.00 33.01 30.69 1x5a s GLN 70 CO 0.21 0.53 1.19 -1.25 -0.25 0.00 0.00 175.29 175.72 1x5a s PRO 71 N -1.00 4.09 -1.14 2.91 0.04 -0.44 -3.42 135.00 136.04 1x5a s PRO 71 Ca 0.11 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.99 1x5a s PRO 71 Cb -0.10 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.71 1x5a s PRO 71 CO 0.01 -0.31 0.99 -3.47 0.04 0.00 0.00 177.00 174.26 1x5a n ASP 72 N 0.19 -5.31 -4.13 6.66 2.03 0.48 -4.63 116.55 111.84 1x5a n ASP 72 Ca 0.04 -0.47 -0.23 0.00 0.52 0.00 0.00 54.79 54.65 1x5a n ASP 72 Cb 0.46 -4.36 -0.15 0.00 -0.72 0.00 0.00 41.12 36.34 1x5a n ASP 72 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5a s THR 73 N -3.28 1.23 -0.15 5.18 2.01 -1.22 -4.93 115.64 114.47 1x5a s THR 73 Ca 0.44 -0.66 -0.21 0.00 0.31 0.00 0.00 61.69 61.57 1x5a s THR 73 Cb -0.19 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1x5a s THR 73 CO 0.62 0.35 0.63 -0.89 -0.69 0.00 0.00 174.62 174.63 1x5a s THR 74 N -0.33 5.05 -0.12 -0.82 2.01 -1.26 -2.21 115.64 117.96 1x5a s THR 74 Ca 0.05 1.22 0.02 0.00 0.31 0.00 0.00 61.69 63.29 1x5a s THR 74 Cb -0.06 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.51 1x5a s THR 74 CO -0.00 0.17 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.62 1x5a s TYR 75 N 1.46 2.19 -0.07 4.92 2.02 -0.82 -4.19 117.35 122.87 1x5a s TYR 75 Ca 0.30 -1.09 -0.19 0.00 -0.37 0.00 0.00 57.07 55.73 1x5a s TYR 75 Cb -0.16 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 1x5a s TYR 75 CO 0.12 -0.54 0.52 0.42 -1.57 0.00 0.00 175.55 174.50 1x5a s ILE 76 N 1.01 5.07 0.02 2.71 -1.09 -0.88 -3.03 121.20 125.01 1x5a s ILE 76 Ca -0.05 1.06 0.05 0.00 -2.23 0.00 0.00 60.65 59.48 1x5a s ILE 76 Cb -0.15 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1x5a s ILE 76 CO -0.03 0.38 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.23 1x5a s VAL 77 N 0.18 1.12 -0.20 2.92 1.01 -1.21 -0.75 120.40 123.47 1x5a s VAL 77 Ca 0.28 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1x5a s VAL 77 Cb -0.16 -0.99 0.07 0.00 0.00 0.00 0.00 36.38 35.30 1x5a s VAL 77 CO 0.13 0.11 0.46 0.00 0.00 0.00 0.00 175.10 175.80 1x5a s ARG 78 N -0.88 0.42 0.10 2.72 1.70 -1.00 -3.25 118.95 118.77 1x5a s ARG 78 Ca 0.03 0.94 0.10 0.00 -0.47 0.00 0.00 55.73 56.33 1x5a s ARG 78 Cb -0.07 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1x5a s ARG 78 CO 0.01 -0.19 -0.24 0.54 -1.08 0.00 0.00 175.30 174.34 1x5a s VAL 79 N 1.84 2.44 -0.09 4.99 0.11 -1.26 -1.18 120.40 127.24 1x5a s VAL 79 Ca -0.07 -1.58 -0.06 0.00 -2.93 0.00 0.00 61.98 57.33 1x5a s VAL 79 Cb -0.09 -2.06 0.03 0.00 -1.53 0.00 0.00 36.38 32.73 1x5a s VAL 79 CO -0.14 0.16 0.23 0.00 -3.33 0.00 0.00 175.10 172.02 1x5a s ARG 80 N -1.88 0.23 -0.05 1.54 1.04 -0.72 -3.13 118.95 115.98 1x5a s ARG 80 Ca 0.15 0.41 -0.30 0.00 -1.04 0.00 0.00 55.73 54.94 1x5a s ARG 80 Cb -0.10 0.00 -0.05 0.00 -2.04 0.00 0.00 34.95 32.77 1x5a s ARG 80 CO 0.06 -0.09 1.40 0.99 -0.04 0.00 0.00 175.30 177.62 1x5a s THR 81 N 0.66 3.84 0.22 4.99 2.01 -1.26 -0.76 115.64 125.33 1x5a s THR 81 Ca -0.04 1.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.82 1x5a s THR 81 Cb -0.06 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 1x5a s THR 81 CO -0.04 -0.04 0.91 -0.76 -0.69 0.00 0.00 174.62 174.00 1x5a s LEU 82 N 2.88 4.63 0.06 4.42 1.43 -0.94 -2.63 118.68 128.53 1x5a s LEU 82 Ca 0.63 1.88 0.02 0.00 -1.03 0.00 0.00 54.13 55.63 1x5a s LEU 82 Cb -0.29 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1x5a s LEU 82 CO 0.24 0.16 -0.08 0.42 0.23 0.00 0.00 176.35 177.32 1x5a s THR 83 N -1.11 0.64 0.20 5.49 -4.23 -1.26 -4.24 115.64 111.13 1x5a s THR 83 Ca 0.40 -1.29 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1x5a s THR 83 Cb -0.25 -0.89 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 1x5a s THR 83 CO 0.31 -0.47 1.56 1.55 -0.54 0.00 0.00 174.62 177.03 1x5a h PRO 84 N 4.15 0.64 -3.40 3.99 0.13 -2.01 -3.37 132.00 132.12 1x5a h PRO 84 Ca -0.36 -0.34 -0.62 0.00 -0.87 0.00 0.00 66.00 63.81 1x5a h PRO 84 Cb 1.19 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1x5a h PRO 84 CO 0.46 0.94 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.95 1x5a s LEU 85 N -8.57 3.44 0.00 1.56 1.43 -1.26 -4.91 118.68 110.37 1x5a s LEU 85 Ca -0.08 -2.58 0.00 0.00 -1.03 0.00 0.00 54.13 50.44 1x5a s LEU 85 Cb 0.12 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1x5a s LEU 85 CO 0.84 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.74 1x5a n GLY 86 N 3.65 -1.33 3.77 -3.19 0.00 -1.26 -5.04 105.19 101.79 1x5a n GLY 86 Ca 0.06 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1x5a n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 87 N -0.55 3.51 0.94 1.61 0.04 -1.26 -4.70 135.00 134.58 1x5a s PRO 87 Ca 0.00 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1x5a s PRO 87 Cb 0.00 -2.16 0.15 0.00 0.04 0.00 0.00 34.50 32.54 1x5a s PRO 87 CO 0.00 -0.73 1.09 0.20 0.04 0.00 0.00 177.00 177.60 1x5a s GLY 88 N -1.62 1.62 1.19 0.56 0.00 -1.08 -4.94 107.32 103.05 1x5a s GLY 88 Ca 0.69 0.05 -0.19 0.00 0.00 0.00 0.00 44.72 45.27 1x5a s GLY 88 CO 0.30 0.55 1.11 2.56 0.00 0.00 0.00 173.10 177.62 1x5a s PRO 89 N -4.81 -1.11 -0.30 2.90 0.04 -1.26 -4.77 135.00 125.69 1x5a s PRO 89 Ca 0.65 -0.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.54 1x5a s PRO 89 Cb -0.20 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1x5a s PRO 89 CO 0.58 -3.65 0.23 -0.06 0.04 0.00 0.00 177.00 174.14 1x5a s PHE 90 N -3.01 3.22 0.75 0.56 0.08 -1.26 -4.55 117.98 113.77 1x5a s PHE 90 Ca 0.71 0.06 -0.17 0.00 0.12 0.00 0.00 56.93 57.65 1x5a s PHE 90 Cb -0.10 -2.43 -0.14 0.00 -0.57 0.00 0.00 43.02 39.77 1x5a s PHE 90 CO 0.56 -0.22 -0.49 -1.13 -0.10 0.00 0.00 175.22 173.83 1x5a n SER 91 N 5.11 -4.79 -4.74 1.36 3.41 -1.18 -4.83 113.62 107.95 1x5a n SER 91 Ca -0.13 0.36 -0.41 0.00 -0.26 0.00 0.00 58.87 58.43 1x5a n SER 91 Cb 0.51 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 1x5a n SER 91 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1x5a s PRO 92 N -1.50 4.41 -0.48 4.33 0.04 -1.26 -4.81 135.00 135.74 1x5a s PRO 92 Ca 0.45 2.05 -0.42 0.00 0.04 0.00 0.00 61.00 63.12 1x5a s PRO 92 Cb -0.30 -3.18 -0.18 0.00 0.04 0.00 0.00 34.50 30.89 1x5a s PRO 92 CO 0.72 -0.19 2.16 -0.40 0.04 0.00 0.00 177.00 179.33 1x5a n ASP 93 N 2.17 1.01 -4.42 6.66 5.75 -1.26 -4.86 116.55 121.61 1x5a n ASP 93 Ca 0.04 0.62 -0.44 0.00 -0.01 0.00 0.00 54.79 55.00 1x5a n ASP 93 Cb 0.43 -0.97 -0.06 0.00 -1.03 0.00 0.00 41.12 39.49 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1x5a s HIS 94 N 6.32 3.04 -0.36 2.11 3.76 -1.20 -4.99 115.29 123.97 1x5a s HIS 94 Ca 1.18 -0.69 -0.29 0.00 -0.15 0.00 0.00 55.06 55.11 1x5a s HIS 94 Cb -1.37 -3.69 0.00 0.00 1.11 0.00 0.00 32.58 28.63 1x5a s HIS 94 CO 0.62 -1.12 1.46 -2.00 -0.85 0.00 0.00 174.74 172.86 1x5a s GLU 95 N 2.62 3.64 0.21 1.40 2.12 -1.26 -3.35 118.70 124.08 1x5a s GLU 95 Ca 0.14 1.15 0.10 0.00 0.36 0.00 0.00 54.97 56.72 1x5a s GLU 95 Cb -0.21 -4.02 -0.04 0.00 0.26 0.00 0.00 34.13 30.12 1x5a s GLU 95 CO 0.10 -1.48 -0.16 -0.06 -0.54 0.00 0.00 175.26 173.11 1x5a s PHE 96 N 5.37 2.45 -0.05 5.30 0.08 -1.17 -5.01 117.98 124.95 1x5a s PHE 96 Ca 0.64 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.42 1x5a s PHE 96 Cb -0.17 -1.17 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 1x5a s PHE 96 CO 0.30 0.55 -0.12 0.50 -0.10 0.00 0.00 175.22 176.36 1x5a s ARG 97 N -2.96 1.52 0.81 0.44 3.52 -1.26 -1.94 118.95 119.09 1x5a s ARG 97 Ca 0.25 -0.39 -0.11 0.00 -0.13 0.00 0.00 55.73 55.34 1x5a s ARG 97 Cb -0.08 -1.30 0.10 0.00 -1.56 0.00 0.00 34.95 32.12 1x5a s ARG 97 CO 0.13 0.06 1.16 0.95 -0.81 0.00 0.00 175.30 176.79 1x5a s THR 98 N 0.53 2.08 0.57 4.11 -4.23 -0.94 -4.89 115.64 112.88 1x5a s THR 98 Ca -0.11 -0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.11 1x5a s THR 98 Cb -0.14 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1x5a s THR 98 CO 0.03 0.00 1.15 -0.44 -0.54 0.00 0.00 174.62 174.82 1x5a s SER 99 N -4.64 5.48 0.51 3.99 0.01 -1.10 -3.85 113.70 114.09 1x5a s SER 99 Ca 0.64 2.21 -0.21 0.00 1.31 0.00 0.00 55.95 59.91 1x5a s SER 99 Cb -0.09 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 1x5a s SER 99 CO 0.49 -1.39 1.14 -2.16 0.41 0.00 0.00 173.24 171.73 1x5a s PRO 100 N -3.41 3.51 0.15 12.44 0.04 -1.26 -0.39 135.00 146.08 1x5a s PRO 100 Ca 0.73 1.67 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 1x5a s PRO 100 Cb -0.25 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1x5a s PRO 100 CO 0.31 -0.73 1.49 -1.00 0.04 0.00 0.00 177.00 177.10 1x5a h PRO 101 N 1.53 0.92 -2.83 0.56 0.13 -1.95 -3.45 132.00 126.90 1x5a h PRO 101 Ca -0.50 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 1x5a h PRO 101 Cb 1.26 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1x5a h PRO 101 CO 0.58 1.13 0.26 -1.12 -0.23 0.00 0.00 178.00 178.62 1x5a s SER 102 N -6.84 -0.54 -0.32 1.44 0.01 -1.26 -5.12 113.70 101.07 1x5a s SER 102 Ca -0.11 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1x5a s SER 102 Cb 0.11 0.56 0.15 0.00 0.21 0.00 0.00 66.02 67.05 1x5a s SER 102 CO 0.88 -0.89 0.35 -0.83 0.41 0.00 0.00 173.24 173.16 1x5a s GLY 103 N -2.63 -0.21 0.00 3.44 0.00 -1.26 -4.98 107.32 101.67 1x5a s GLY 103 Ca 0.01 -0.43 0.15 0.00 0.00 0.00 0.00 44.72 44.46 1x5a s GLY 103 CO -0.11 2.78 1.36 -1.55 0.00 0.00 0.00 173.10 175.58 1x5a n PRO 104 N 4.94 0.41 -4.19 2.90 -0.04 -1.26 -4.74 135.00 133.02 1x5a n PRO 104 Ca 0.03 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1x5a n PRO 104 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1x5a n PRO 104 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5a s SER 105 N -2.16 0.86 -1.11 3.54 0.01 -1.26 -5.09 113.70 108.49 1x5a s SER 105 Ca 0.21 -1.15 -0.13 0.00 1.31 0.00 0.00 55.95 56.19 1x5a s SER 105 Cb 0.10 0.18 0.20 0.00 0.21 0.00 0.00 66.02 66.71 1x5a s SER 105 CO 0.19 -0.61 1.24 -0.44 0.41 0.00 0.00 173.24 174.03 1x5a s SER 106 N -3.09 7.06 0.00 2.44 0.01 -1.26 -5.21 113.70 113.64 1x5a s SER 106 Ca 0.21 -3.01 0.01 0.00 1.31 0.00 0.00 55.95 54.47 1x5a s SER 106 Cb 0.07 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1x5a s SER 106 CO 0.01 -0.64 0.54 0.61 0.41 0.00 0.00 173.24 174.17