#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5a s SER 2 N 0.00 7.14 0.04 1.61 1.04 -1.26 -5.02 113.70 117.25 1x5a s SER 2 Ca 0.00 -3.24 -0.03 0.00 0.48 0.00 0.00 55.95 53.16 1x5a s SER 2 Cb 0.00 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 1x5a s SER 2 CO 0.00 -0.47 0.24 -0.55 0.98 0.00 0.00 173.24 173.44 1x5a s SER 3 N 1.89 6.41 -0.06 7.02 0.15 -1.26 -4.99 113.70 122.87 1x5a s SER 3 Ca 0.31 0.41 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 1x5a s SER 3 Cb -0.08 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.18 1x5a s SER 3 CO -0.07 0.20 2.36 0.61 1.20 0.00 0.00 173.24 177.54 1x5a n GLY 4 N 0.66 2.89 3.45 9.45 0.00 -1.26 -4.77 105.19 115.60 1x5a n GLY 4 Ca -0.08 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 1x5a n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5a s SER 5 N 1.69 6.85 0.31 1.61 0.15 -1.26 -4.98 113.70 118.08 1x5a s SER 5 Ca 0.20 -2.54 0.06 0.00 0.70 0.00 0.00 55.95 54.37 1x5a s SER 5 Cb 0.11 -2.39 -0.06 0.00 -1.71 0.00 0.00 66.02 61.97 1x5a s SER 5 CO -0.01 -0.88 -0.03 -0.55 1.20 0.00 0.00 173.24 172.97 1x5a s SER 6 N 3.16 2.94 -0.81 5.45 0.15 -1.26 -5.09 113.70 118.23 1x5a s SER 6 Ca 0.37 -1.25 -0.17 0.00 0.70 0.00 0.00 55.95 55.60 1x5a s SER 6 Cb -0.04 -0.20 0.17 0.00 -1.71 0.00 0.00 66.02 64.23 1x5a s SER 6 CO -0.05 -0.40 0.87 -0.83 1.20 0.00 0.00 173.24 174.04 1x5a s GLY 7 N -3.51 2.24 0.07 9.45 0.00 -1.26 -4.92 107.32 109.39 1x5a s GLY 7 Ca 0.32 -2.92 -0.30 0.00 0.00 0.00 0.00 44.72 41.82 1x5a s GLY 7 CO 0.14 1.57 1.47 0.00 0.00 0.00 0.00 173.10 176.29 1x5a h ALA 8 N 8.42 -1.11 -0.83 3.20 0.00 -1.99 -2.78 119.26 124.18 1x5a h ALA 8 Ca 0.04 -0.17 -0.56 0.00 0.00 0.00 0.00 54.91 54.23 1x5a h ALA 8 Cb 1.04 0.65 -0.24 0.00 0.00 0.00 0.00 17.79 19.25 1x5a h ALA 8 CO 0.94 -1.13 0.72 -0.85 0.00 0.00 0.00 179.25 178.94 1x5a n GLU 9 N -5.03 2.38 -1.28 0.00 0.28 -1.26 -4.59 120.64 111.14 1x5a n GLU 9 Ca -0.10 -2.72 -0.31 0.00 -0.16 0.00 0.00 57.16 53.87 1x5a n GLU 9 Cb 0.40 -2.06 0.07 0.00 1.43 0.00 0.00 31.44 31.27 1x5a n GLU 9 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1x5a n SER 10 N -0.52 7.42 -4.66 -1.84 2.88 -1.05 -4.99 113.62 110.86 1x5a n SER 10 Ca 0.52 -3.63 -0.30 0.00 -1.33 0.00 0.00 58.87 54.14 1x5a n SER 10 Cb 0.67 -1.01 0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1x5a n SER 10 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1x5a s LEU 11 N -3.39 2.01 -0.07 2.46 2.96 -1.26 -4.87 118.68 116.51 1x5a s LEU 11 Ca 0.57 1.57 -0.01 0.00 -0.22 0.00 0.00 54.13 56.03 1x5a s LEU 11 Cb 0.45 -3.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1x5a s LEU 11 CO -0.04 -3.05 2.36 -1.20 -1.32 0.00 0.00 176.35 173.09 1x5a n SER 12 N -4.16 5.55 0.00 3.68 7.64 -1.26 -4.76 113.62 120.31 1x5a n SER 12 Ca 0.07 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.39 1x5a n SER 12 Cb 0.55 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1x5a n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5a n GLY 13 N 1.49 1.90 2.27 0.23 0.00 -1.26 -4.97 105.19 104.84 1x5a n GLY 13 Ca 0.15 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.32 -3.33 0.99 4.77 -1.26 -4.90 117.00 112.94 1x5a n LEU 14 Ca 0.00 0.75 -0.04 0.00 -0.03 0.00 0.00 56.01 56.70 1x5a n LEU 14 Cb 0.00 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 1x5a n LEU 14 CO 0.00 -1.53 0.05 -0.94 -1.33 0.00 0.00 177.39 173.65 1x5a s SER 15 N -0.25 -0.50 -0.00 -1.43 1.04 -1.26 -4.97 113.70 106.32 1x5a s SER 15 Ca 0.53 0.64 -0.30 0.00 0.48 0.00 0.00 55.95 57.30 1x5a s SER 15 Cb -0.75 1.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.93 1x5a s SER 15 CO 0.37 -0.27 1.36 -0.76 0.98 0.00 0.00 173.24 174.92 1x5a s LEU 16 N 2.69 4.31 -0.07 2.42 1.43 -1.26 -4.11 118.68 124.10 1x5a s LEU 16 Ca 0.13 2.07 0.03 0.00 -1.03 0.00 0.00 54.13 55.32 1x5a s LEU 16 Cb -0.15 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1x5a s LEU 16 CO -0.18 -0.69 -0.14 -0.75 0.23 0.00 0.00 176.35 174.82 1x5a s LYS 17 N 2.29 1.90 -0.70 1.70 2.20 -1.21 -5.00 119.74 120.92 1x5a s LYS 17 Ca 0.62 -0.50 -0.26 0.00 -0.36 0.00 0.00 55.97 55.47 1x5a s LYS 17 Cb -0.30 -1.55 -0.01 0.00 -1.51 0.00 0.00 37.83 34.46 1x5a s LYS 17 CO 0.26 0.07 1.73 -1.17 -0.36 0.00 0.00 175.35 175.88 1x5a s LEU 18 N 0.54 3.25 -0.08 5.43 2.96 -1.26 -2.68 118.68 126.84 1x5a s LEU 18 Ca -0.14 -0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 53.46 1x5a s LEU 18 Cb -0.16 -2.54 -0.21 0.00 0.50 0.00 0.00 46.19 43.78 1x5a s LEU 18 CO 0.04 -2.27 0.93 0.58 -1.32 0.00 0.00 176.35 174.32 1x5a h VAL 19 N 6.75 1.38 -3.64 1.68 2.07 -1.53 -3.46 116.25 119.50 1x5a h VAL 19 Ca -0.19 -1.62 -0.41 0.00 0.82 0.00 0.00 66.70 65.30 1x5a h VAL 19 Cb 1.11 2.41 -0.32 0.00 -1.52 0.00 0.00 31.29 32.97 1x5a h VAL 19 CO 1.24 0.39 -0.78 -0.75 0.02 0.00 0.00 177.57 177.70 1x5a s LYS 20 N -3.15 0.87 -0.64 1.57 2.20 -0.82 -5.00 119.74 114.77 1x5a s LYS 20 Ca -0.16 -0.20 -0.06 0.00 -0.36 0.00 0.00 55.97 55.19 1x5a s LYS 20 Cb -0.01 -0.83 0.17 0.00 -1.51 0.00 0.00 37.83 35.65 1x5a s LYS 20 CO 0.61 0.02 0.49 0.21 -0.36 0.00 0.00 175.35 176.32 1x5a s LYS 21 N 0.51 2.75 0.22 4.03 2.20 -1.26 -3.00 119.74 125.19 1x5a s LYS 21 Ca -0.07 -2.40 0.08 0.00 -0.36 0.00 0.00 55.97 53.22 1x5a s LYS 21 Cb -0.11 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 1x5a s LYS 21 CO 0.00 -1.20 0.04 -1.21 -0.36 0.00 0.00 175.35 172.63 1x5a s GLU 22 N 0.20 2.49 0.05 4.03 2.02 -0.99 -4.12 118.70 122.38 1x5a s GLU 22 Ca 0.15 -1.19 -0.19 0.00 0.02 0.00 0.00 54.97 53.76 1x5a s GLU 22 Cb -0.19 -2.34 -0.13 0.00 0.10 0.00 0.00 34.13 31.57 1x5a s GLU 22 CO -0.04 0.42 1.36 -1.00 0.02 0.00 0.00 175.26 176.01 1x5a h PRO 23 N 2.19 0.43 -0.27 0.39 0.13 -1.91 -2.96 132.00 130.00 1x5a h PRO 23 Ca -0.46 -0.23 -0.11 0.00 -0.87 0.00 0.00 66.00 64.33 1x5a h PRO 23 Cb 1.23 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 1x5a h PRO 23 CO 0.60 0.79 -0.09 0.54 -0.23 0.00 0.00 178.00 179.61 1x5a n ARG 24 N -4.49 2.01 -3.49 0.86 1.74 -1.26 -2.71 116.66 109.32 1x5a n ARG 24 Ca -0.06 -3.07 -0.14 0.00 -0.77 0.00 0.00 57.85 53.81 1x5a n ARG 24 Cb 0.39 -1.78 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 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 -3.12 1.06 -0.16 5.56 0.74 -1.24 -3.04 119.66 119.45 1x5a s GLN 25 Ca 0.42 -0.04 -0.07 0.00 0.05 0.00 0.00 55.36 55.72 1x5a s GLN 25 Cb 0.38 0.49 0.07 0.00 1.10 0.00 0.00 33.01 35.05 1x5a s GLN 25 CO 0.01 -0.39 0.37 -0.51 -0.55 0.00 0.00 175.29 174.22 1x5a s LEU 26 N -1.80 -0.19 -0.12 3.68 1.43 -0.19 -2.35 118.68 119.14 1x5a s LEU 26 Ca -0.05 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 1x5a s LEU 26 Cb -0.00 1.17 0.01 0.00 0.03 0.00 0.00 46.19 47.40 1x5a s LEU 26 CO -0.00 -0.21 -0.20 -0.70 0.23 0.00 0.00 176.35 175.47 1x5a s GLU 27 N 1.82 2.77 0.29 1.70 2.12 -1.16 -0.96 118.70 125.28 1x5a s GLU 27 Ca -0.06 -0.77 0.07 0.00 0.36 0.00 0.00 54.97 54.57 1x5a s GLU 27 Cb -0.10 -2.23 -0.06 0.00 0.26 0.00 0.00 34.13 32.00 1x5a s GLU 27 CO -0.12 0.01 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.04 1x5a s LEU 28 N 0.76 2.52 -0.22 2.70 1.43 -1.13 -1.29 118.68 123.45 1x5a s LEU 28 Ca -0.10 -1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 51.75 1x5a s LEU 28 Cb -0.16 -0.70 0.10 0.00 0.03 0.00 0.00 46.19 45.46 1x5a s LEU 28 CO 0.00 -0.31 0.46 0.28 0.23 0.00 0.00 176.35 177.02 1x5a s THR 29 N -2.94 -0.72 -0.31 5.49 -1.32 -1.09 -3.23 115.64 111.51 1x5a s THR 29 Ca 0.30 0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.93 1x5a s THR 29 Cb 0.03 -0.74 0.08 0.00 -1.51 0.00 0.00 72.50 70.37 1x5a s THR 29 CO 0.12 0.05 0.00 -1.66 -2.21 0.00 0.00 174.62 170.93 1x5a s TRP 30 N 2.67 3.55 0.14 9.09 -2.14 -0.59 -3.36 118.94 128.31 1x5a s TRP 30 Ca -0.02 -2.66 -0.12 0.00 2.66 0.00 0.00 56.10 55.96 1x5a s TRP 30 Cb -0.12 -2.56 0.01 0.00 -3.10 0.00 0.00 33.47 27.70 1x5a s TRP 30 CO -0.14 -0.92 0.31 0.00 -2.66 0.00 0.00 176.95 173.54 1x5a s ALA 31 N 1.01 -0.39 0.00 2.67 0.00 -1.26 -4.79 121.76 118.99 1x5a s ALA 31 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1x5a s ALA 31 Cb -0.20 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1x5a s ALA 31 CO -0.06 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1x5a n GLY 32 N -0.18 0.70 0.09 0.00 0.00 -1.26 -4.85 105.19 99.68 1x5a n GLY 32 Ca -0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1x5a n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5a n SER 33 N 0.00 1.86 -3.76 1.61 2.88 -1.26 -4.90 113.62 110.04 1x5a n SER 33 Ca 0.00 0.51 -0.13 0.00 -1.33 0.00 0.00 58.87 57.92 1x5a n SER 33 Cb 0.00 -0.85 -0.11 0.00 -0.75 0.00 0.00 64.21 62.50 1x5a n SER 33 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1x5a s ARG 34 N -2.43 0.40 0.00 -1.46 0.52 -1.26 -5.02 118.95 109.70 1x5a s ARG 34 Ca -0.22 0.40 0.15 0.00 -0.52 0.00 0.00 55.73 55.53 1x5a s ARG 34 Cb 0.04 0.19 0.87 0.00 0.52 0.00 0.00 34.95 36.58 1x5a s ARG 34 CO 0.35 -0.06 1.29 -0.35 0.02 0.00 0.00 175.30 176.55 1x5a n PRO 35 N 2.77 0.49 -3.92 3.54 -0.04 -1.26 -4.74 135.00 131.83 1x5a n PRO 35 Ca -0.14 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 1x5a n PRO 35 Cb 0.58 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1x5a n PRO 35 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x5a s ARG 36 N -2.00 2.30 0.38 0.54 1.81 -1.26 -5.09 118.95 115.64 1x5a s ARG 36 Ca 0.22 -1.89 -0.27 0.00 -1.72 0.00 0.00 55.73 52.06 1x5a s ARG 36 Cb 0.10 -2.10 -0.11 0.00 -0.45 0.00 0.00 34.95 32.39 1x5a s ARG 36 CO 0.17 -0.39 1.42 -1.71 -0.68 0.00 0.00 175.30 174.11 1x5a n ASN 37 N -1.56 3.41 -3.77 0.23 5.15 -1.26 -4.99 115.26 112.47 1x5a n ASN 37 Ca -0.01 1.20 -0.30 0.00 -0.60 0.00 0.00 54.58 54.86 1x5a n ASN 37 Cb 0.64 -1.58 0.24 0.00 -0.53 0.00 0.00 39.78 38.55 1x5a n ASN 37 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1x5a s PRO 38 N -2.12 -1.31 0.00 1.20 0.04 -1.26 -5.06 135.00 126.49 1x5a s PRO 38 Ca 0.55 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1x5a s PRO 38 Cb -0.49 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1x5a s PRO 38 CO 0.62 -3.76 0.00 0.41 0.04 0.00 0.00 177.00 174.31 1x5a n GLY 39 N -0.95 0.36 0.00 0.56 0.00 -1.26 -5.08 105.19 98.82 1x5a n GLY 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 3.06 5.94 3.68 -0.02 0.00 -1.26 -5.07 105.19 111.52 1x5a n GLY 40 Ca 0.00 -2.06 -0.46 0.00 0.00 0.00 0.00 46.02 43.50 1x5a n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5a n ASN 41 N -0.58 3.61 -3.97 1.61 2.85 -1.26 -4.97 115.26 112.55 1x5a n ASN 41 Ca 0.00 0.98 -0.09 0.00 -0.11 0.00 0.00 54.58 55.36 1x5a n ASN 41 Cb 0.00 -1.43 -0.10 0.00 1.24 0.00 0.00 39.78 39.49 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1x5a s LEU 42 N 3.53 2.02 0.50 1.20 1.43 -1.26 -5.00 118.68 121.10 1x5a s LEU 42 Ca 0.89 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1x5a s LEU 42 Cb -0.62 0.42 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 1x5a s LEU 42 CO 0.46 -0.48 0.01 -0.44 0.23 0.00 0.00 176.35 176.13 1x5a s SER 43 N -2.12 4.06 -0.02 2.29 0.01 -1.24 -4.96 113.70 111.72 1x5a s SER 43 Ca -0.05 -1.64 0.01 0.00 1.31 0.00 0.00 55.95 55.57 1x5a s SER 43 Cb -0.01 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.70 1x5a s SER 43 CO -0.05 -0.84 -0.02 -0.31 0.41 0.00 0.00 173.24 172.44 1x5a s TYR 44 N -2.88 0.35 -0.27 2.43 2.02 -0.68 -0.99 117.35 117.32 1x5a s TYR 44 Ca 0.08 -0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 56.62 1x5a s TYR 44 Cb 0.02 -0.34 -0.05 0.00 -0.40 0.00 0.00 41.96 41.19 1x5a s TYR 44 CO 0.04 -0.08 0.21 -2.00 -1.57 0.00 0.00 175.55 172.15 1x5a s GLU 45 N 0.53 3.98 -0.15 -0.62 2.56 -0.24 -0.71 118.70 124.04 1x5a s GLU 45 Ca -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 54.97 54.62 1x5a s GLU 45 Cb -0.08 -3.64 -0.03 0.00 2.00 0.00 0.00 34.13 32.37 1x5a s GLU 45 CO -0.01 -0.16 -0.02 -1.17 -0.56 0.00 0.00 175.26 173.34 1x5a s LEU 46 N 1.70 3.36 -0.17 2.70 1.98 -0.87 -2.01 118.68 125.36 1x5a s LEU 46 Ca 0.08 -0.08 -0.01 0.00 -2.89 0.00 0.00 54.13 51.23 1x5a s LEU 46 Cb -0.16 -1.81 0.05 0.00 0.66 0.00 0.00 46.19 44.93 1x5a s LEU 46 CO 0.10 0.19 -0.02 -2.28 -1.89 0.00 0.00 176.35 172.45 1x5a s HIS 47 N 0.26 1.46 -0.14 5.38 5.65 -0.95 0.49 115.29 127.43 1x5a s HIS 47 Ca -0.02 -0.98 -0.04 0.00 0.25 0.00 0.00 55.06 54.28 1x5a s HIS 47 Cb -0.14 -1.20 -0.03 0.00 -1.18 0.00 0.00 32.58 30.03 1x5a s HIS 47 CO 0.02 -0.60 -0.02 0.08 -0.65 0.00 0.00 174.74 173.58 1x5a s VAL 48 N 1.71 4.12 0.23 0.89 1.01 0.13 -2.62 120.40 125.87 1x5a s VAL 48 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1x5a s VAL 48 Cb -0.16 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1x5a s VAL 48 CO -0.07 0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 174.60 1x5a s LEU 49 N 0.04 2.54 0.23 3.92 1.02 -0.47 -0.42 118.68 125.55 1x5a s LEU 49 Ca 0.01 -0.99 -0.09 0.00 0.02 0.00 0.00 54.13 53.09 1x5a s LEU 49 Cb -0.13 -0.94 -0.01 0.00 0.02 0.00 0.00 46.19 45.12 1x5a s LEU 49 CO 0.02 -0.03 0.36 0.21 0.02 0.00 0.00 176.35 176.94 1x5a s ASN 50 N -3.25 -0.01 0.06 2.29 3.84 0.66 -1.83 114.94 116.71 1x5a s ASN 50 Ca 0.25 -1.05 -0.12 0.00 0.21 0.00 0.00 52.86 52.14 1x5a s ASN 50 Cb -0.04 0.51 -0.03 0.00 -0.55 0.00 0.00 41.25 41.15 1x5a s ASN 50 CO 0.11 -1.03 0.92 0.00 -2.79 0.00 0.00 177.10 174.30 1x5a n GLN 51 N -0.34 -0.17 -1.09 0.43 6.02 -1.26 -2.35 117.38 118.62 1x5a n GLN 51 Ca -0.01 0.91 0.03 0.00 -0.01 0.00 0.00 57.00 57.91 1x5a n GLN 51 Cb 0.63 -1.34 0.13 0.00 1.02 0.00 0.00 30.24 30.68 1x5a n GLN 51 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1x5a n ASP 52 N -3.93 1.73 -3.61 1.08 8.00 -1.26 -5.00 116.55 113.57 1x5a n ASP 52 Ca 0.01 -3.22 -0.18 0.00 0.71 0.00 0.00 54.79 52.10 1x5a n ASP 52 Cb 0.10 -0.44 -0.15 0.00 -0.02 0.00 0.00 41.12 40.61 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x5a s GLU 53 N -2.28 0.09 -0.19 -1.24 0.41 -0.99 -5.13 118.70 109.37 1x5a s GLU 53 Ca 0.37 0.38 0.01 0.00 -0.41 0.00 0.00 54.97 55.32 1x5a s GLU 53 Cb 0.38 -0.75 0.04 0.00 -1.78 0.00 0.00 34.13 32.02 1x5a s GLU 53 CO -0.09 -0.46 -0.11 -2.00 -0.49 0.00 0.00 175.26 172.11 1x5a s GLU 54 N 2.29 2.09 0.01 1.61 2.12 -1.26 0.24 118.70 125.80 1x5a s GLU 54 Ca 0.04 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.58 1x5a s GLU 54 Cb -0.14 -2.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 1x5a s GLU 54 CO -0.08 -0.38 0.03 1.67 -0.54 0.00 0.00 175.26 175.96 1x5a s TRP 55 N 1.42 0.18 0.02 5.30 -2.14 0.44 -5.01 118.94 119.16 1x5a s TRP 55 Ca 0.00 -0.39 0.02 0.00 2.66 0.00 0.00 56.10 58.40 1x5a s TRP 55 Cb -0.15 -0.14 -0.01 0.00 -3.10 0.00 0.00 33.47 30.06 1x5a s TRP 55 CO -0.09 -0.22 -0.08 -3.38 -2.66 0.00 0.00 176.95 170.52 1x5a s HIS 56 N -1.42 0.69 -0.06 1.66 -3.43 -1.26 0.19 115.29 111.65 1x5a s HIS 56 Ca -0.15 -0.26 -0.03 0.00 -0.80 0.00 0.00 55.06 53.81 1x5a s HIS 56 Cb -0.09 -0.43 0.04 0.00 -1.43 0.00 0.00 32.58 30.67 1x5a s HIS 56 CO -0.00 -0.03 0.14 1.14 -2.00 0.00 0.00 174.74 173.99 1x5a s GLN 57 N -0.74 0.09 0.20 -0.38 -2.07 0.18 -4.97 119.66 111.98 1x5a s GLN 57 Ca -0.02 0.35 -0.30 0.00 -1.82 0.00 0.00 55.36 53.57 1x5a s GLN 57 Cb -0.06 -0.16 -0.08 0.00 -1.09 0.00 0.00 33.01 31.63 1x5a s GLN 57 CO 0.00 -0.15 1.00 1.41 -1.32 0.00 0.00 175.29 176.23 1x5a s MET 58 N 1.06 4.74 0.02 9.60 -2.45 -1.26 -2.06 119.30 128.95 1x5a s MET 58 Ca -0.08 1.57 0.06 0.00 -1.25 0.00 0.00 55.69 55.98 1x5a s MET 58 Cb -0.10 -3.29 -0.02 0.00 1.25 0.00 0.00 34.83 32.67 1x5a s MET 58 CO -0.05 0.32 -0.18 0.14 1.05 0.00 0.00 175.02 176.30 1x5a s VAL 59 N -0.73 1.42 -0.38 10.11 -7.23 0.11 -4.90 120.40 118.80 1x5a s VAL 59 Ca 0.44 -0.94 0.11 0.00 -1.81 0.00 0.00 61.98 59.78 1x5a s VAL 59 Cb -0.27 -1.22 0.66 0.00 0.56 0.00 0.00 36.38 36.12 1x5a s VAL 59 CO 0.33 0.26 1.54 0.18 -0.31 0.00 0.00 175.10 177.10 1x5a n LEU 60 N 2.25 5.00 -3.84 1.32 4.77 -1.26 -1.69 117.00 123.54 1x5a n LEU 60 Ca -0.16 -2.55 -0.12 0.00 -0.03 0.00 0.00 56.01 53.15 1x5a n LEU 60 Cb 0.54 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1x5a n LEU 60 CO 0.23 0.60 -0.13 -1.83 -1.33 0.00 0.00 177.39 174.94 1x5a s GLU 61 N -2.47 0.53 0.00 3.23 1.03 -1.26 -4.93 118.70 114.83 1x5a s GLU 61 Ca 0.45 -0.35 0.10 0.00 0.03 0.00 0.00 54.97 55.21 1x5a s GLU 61 Cb 0.35 0.22 0.62 0.00 -0.80 0.00 0.00 34.13 34.52 1x5a s GLU 61 CO 0.13 -0.13 1.06 -0.35 -1.33 0.00 0.00 175.26 174.63 1x5a n PRO 62 N 1.42 0.49 -4.37 -4.83 -0.04 -1.26 -4.58 135.00 121.83 1x5a n PRO 62 Ca -0.22 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 62.99 1x5a n PRO 62 Cb 0.56 -1.33 -0.17 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.60 -0.01 0.54 1.70 -1.26 -1.54 118.95 117.99 1x5a s ARG 63 Ca 0.16 -0.35 0.08 0.00 -0.47 0.00 0.00 55.73 55.14 1x5a s ARG 63 Cb 0.07 -1.42 -0.02 0.00 -0.57 0.00 0.00 34.95 33.01 1x5a s ARG 63 CO 0.12 -0.06 -0.25 0.54 -1.08 0.00 0.00 175.30 174.57 1x5a s VAL 64 N 0.97 2.20 -0.29 4.99 0.11 -1.20 -4.99 120.40 122.19 1x5a s VAL 64 Ca -0.09 -1.14 -0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1x5a s VAL 64 Cb -0.15 -1.80 0.05 0.00 -1.53 0.00 0.00 36.38 32.96 1x5a s VAL 64 CO 0.00 0.52 -0.02 -0.22 -3.33 0.00 0.00 175.10 172.05 1x5a s LEU 65 N -0.79 3.81 -0.10 2.54 1.98 -1.26 -2.83 118.68 122.03 1x5a s LEU 65 Ca 0.11 -1.32 -0.11 0.00 -2.89 0.00 0.00 54.13 49.92 1x5a s LEU 65 Cb -0.10 -1.67 -0.05 0.00 0.66 0.00 0.00 46.19 45.03 1x5a s LEU 65 CO 0.00 -0.25 0.25 -0.76 -1.89 0.00 0.00 176.35 173.71 1x5a s LEU 66 N 1.21 4.37 0.23 -0.68 1.43 -0.13 -4.96 118.68 120.16 1x5a s LEU 66 Ca -0.06 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 1x5a s LEU 66 Cb -0.20 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1x5a s LEU 66 CO -0.02 0.30 0.09 0.42 0.23 0.00 0.00 176.35 177.37 1x5a s THR 67 N -0.64 0.42 -0.82 5.49 -4.23 -1.26 -1.02 115.64 113.57 1x5a s THR 67 Ca 0.17 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1x5a s THR 67 Cb -0.14 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1x5a s THR 67 CO 0.06 -0.08 0.00 0.29 -0.54 0.00 0.00 174.62 174.35 1x5a n LYS 68 N -0.37 -0.64 -2.47 3.99 4.76 -1.17 -4.97 118.16 117.29 1x5a n LYS 68 Ca -0.01 0.61 -0.23 0.00 -2.87 0.00 0.00 58.31 55.81 1x5a n LYS 68 Cb 0.66 -4.53 0.05 0.00 -1.84 0.00 0.00 35.03 29.37 1x5a n LYS 68 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x5a s LEU 69 N -2.21 3.10 -0.06 -0.35 1.43 -1.25 -5.06 118.68 114.27 1x5a s LEU 69 Ca 0.00 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1x5a s LEU 69 Cb 0.00 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1x5a s LEU 69 CO 0.00 -1.31 0.13 -1.10 0.23 0.00 0.00 176.35 174.30 1x5a s GLN 70 N -4.96 3.33 0.64 1.70 -1.52 -1.25 -4.32 119.66 113.28 1x5a s GLN 70 Ca 0.58 -0.28 -0.16 0.00 -1.95 0.00 0.00 55.36 53.56 1x5a s GLN 70 Cb -0.10 -3.06 -0.01 0.00 -0.22 0.00 0.00 33.01 29.61 1x5a s GLN 70 CO 0.41 0.72 1.11 -1.25 -0.25 0.00 0.00 175.29 176.03 1x5a s PRO 71 N -1.43 2.87 -1.42 2.91 0.04 -1.10 -3.68 135.00 133.19 1x5a s PRO 71 Ca 0.20 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.62 1x5a s PRO 71 Cb -0.12 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1x5a s PRO 71 CO 0.10 -1.20 0.66 -3.47 0.04 0.00 0.00 177.00 173.14 1x5a n ASP 72 N -2.26 -1.75 -4.03 6.66 2.03 -0.94 -4.87 116.55 111.38 1x5a n ASP 72 Ca 0.11 -0.89 -0.16 0.00 0.52 0.00 0.00 54.79 54.36 1x5a n ASP 72 Cb 0.52 -3.56 -0.13 0.00 -0.72 0.00 0.00 41.12 37.23 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 -3.67 0.62 -0.23 5.18 2.01 -1.24 -4.95 115.64 113.37 1x5a s THR 73 Ca 0.20 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 1x5a s THR 73 Cb -0.10 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1x5a s THR 73 CO 0.85 -0.05 0.42 -0.89 -0.69 0.00 0.00 174.62 174.26 1x5a s THR 74 N -0.67 5.16 -0.16 -0.82 2.01 -1.26 -1.73 115.64 118.17 1x5a s THR 74 Ca -0.02 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.73 1x5a s THR 74 Cb -0.06 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1x5a s THR 74 CO 0.00 0.19 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.61 1x5a s TYR 75 N 1.69 2.72 0.11 4.92 2.02 -0.05 -4.66 117.35 124.09 1x5a s TYR 75 Ca 0.19 -1.47 -0.28 0.00 -0.37 0.00 0.00 57.07 55.15 1x5a s TYR 75 Cb -0.15 -1.86 -0.06 0.00 -0.40 0.00 0.00 41.96 39.48 1x5a s TYR 75 CO 0.09 -0.69 0.87 0.42 -1.57 0.00 0.00 175.55 174.66 1x5a s ILE 76 N 1.02 4.51 0.03 2.71 -1.09 -0.76 -3.60 121.20 124.02 1x5a s ILE 76 Ca -0.02 1.87 0.03 0.00 -2.23 0.00 0.00 60.65 60.30 1x5a s ILE 76 Cb -0.14 -4.23 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1x5a s ILE 76 CO -0.07 0.38 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.24 1x5a s VAL 77 N -0.31 0.70 -0.24 2.92 1.01 -1.24 -1.36 120.40 121.87 1x5a s VAL 77 Ca 0.42 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1x5a s VAL 77 Cb -0.23 -0.67 0.11 0.00 0.00 0.00 0.00 36.38 35.60 1x5a s VAL 77 CO 0.27 -0.12 0.50 0.00 0.00 0.00 0.00 175.10 175.76 1x5a s ARG 78 N -1.03 0.42 0.06 2.72 1.70 -1.08 -3.44 118.95 118.31 1x5a s ARG 78 Ca -0.03 1.13 0.05 0.00 -0.47 0.00 0.00 55.73 56.41 1x5a s ARG 78 Cb -0.07 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1x5a s ARG 78 CO 0.01 -0.29 -0.05 0.54 -1.08 0.00 0.00 175.30 174.42 1x5a s VAL 79 N 2.72 3.70 -0.01 4.99 0.11 -1.26 -2.25 120.40 128.41 1x5a s VAL 79 Ca -0.00 -0.97 -0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1x5a s VAL 79 Cb -0.12 -2.69 -0.00 0.00 -1.53 0.00 0.00 36.38 32.03 1x5a s VAL 79 CO -0.16 0.23 0.05 0.00 -3.33 0.00 0.00 175.10 171.90 1x5a s ARG 80 N -1.92 0.21 -0.58 1.54 1.70 -0.85 -3.34 118.95 115.71 1x5a s ARG 80 Ca 0.21 -0.19 -0.28 0.00 -0.47 0.00 0.00 55.73 55.00 1x5a s ARG 80 Cb -0.11 0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.37 1x5a s ARG 80 CO 0.13 -0.04 1.43 0.99 -1.08 0.00 0.00 175.30 176.73 1x5a s THR 81 N -0.64 3.75 0.27 4.99 2.01 -1.26 -1.08 115.64 123.68 1x5a s THR 81 Ca -0.07 0.61 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 1x5a s THR 81 Cb -0.04 -4.45 -0.10 0.00 0.01 0.00 0.00 72.50 67.92 1x5a s THR 81 CO 0.00 -1.22 1.25 -0.76 -0.69 0.00 0.00 174.62 173.20 1x5a s LEU 82 N 6.22 4.46 0.06 4.42 1.43 -0.16 -2.58 118.68 132.52 1x5a s LEU 82 Ca 0.52 2.47 0.02 0.00 -1.03 0.00 0.00 54.13 56.11 1x5a s LEU 82 Cb -0.11 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1x5a s LEU 82 CO 0.24 -0.42 -0.07 0.42 0.23 0.00 0.00 176.35 176.74 1x5a s THR 83 N -0.70 0.55 0.28 5.49 -4.23 -1.26 -3.68 115.64 112.08 1x5a s THR 83 Ca 0.50 -1.30 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 1x5a s THR 83 Cb -0.36 -0.88 0.01 0.00 1.34 0.00 0.00 72.50 72.61 1x5a s THR 83 CO 0.45 -0.52 1.66 1.55 -0.54 0.00 0.00 174.62 177.21 1x5a h PRO 84 N 4.09 0.26 -3.42 3.99 0.13 -1.96 -3.36 132.00 131.73 1x5a h PRO 84 Ca -0.35 -0.13 -0.62 0.00 -0.87 0.00 0.00 66.00 64.02 1x5a h PRO 84 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.92 1x5a h PRO 84 CO 0.47 0.67 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.70 1x5a s LEU 85 N -8.18 3.48 -0.01 1.56 1.43 -1.26 -4.91 118.68 110.80 1x5a s LEU 85 Ca -0.04 -2.59 -0.00 0.00 -1.03 0.00 0.00 54.13 50.47 1x5a s LEU 85 Cb 0.13 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1x5a s LEU 85 CO 0.78 -0.29 0.01 0.61 0.23 0.00 0.00 176.35 177.70 1x5a n GLY 86 N 3.64 -1.35 3.77 -3.19 0.00 -1.26 -5.02 105.19 101.77 1x5a n GLY 86 Ca 0.05 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.76 3.76 0.91 1.61 0.04 -1.26 -4.70 135.00 134.60 1x5a s PRO 87 Ca 0.01 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1x5a s PRO 87 Cb -0.00 -2.41 0.14 0.00 0.04 0.00 0.00 34.50 32.27 1x5a s PRO 87 CO 0.02 -0.55 1.10 0.20 0.04 0.00 0.00 177.00 177.81 1x5a s GLY 88 N -1.36 1.64 1.05 0.56 0.00 -1.07 -4.93 107.32 103.21 1x5a s GLY 88 Ca 0.64 0.17 -0.14 0.00 0.00 0.00 0.00 44.72 45.38 1x5a s GLY 88 CO 0.35 0.64 1.10 2.56 0.00 0.00 0.00 173.10 177.74 1x5a s PRO 89 N -4.79 0.01 -0.16 2.90 0.04 -1.26 -4.73 135.00 127.00 1x5a s PRO 89 Ca 0.64 0.38 -0.19 0.00 0.04 0.00 0.00 61.00 61.87 1x5a s PRO 89 Cb -0.20 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1x5a s PRO 89 CO 0.58 -2.99 0.53 -0.06 0.04 0.00 0.00 177.00 175.10 1x5a s PHE 90 N -2.97 3.43 0.75 0.56 0.08 -1.26 -4.60 117.98 113.98 1x5a s PHE 90 Ca 0.67 0.86 -0.17 0.00 0.12 0.00 0.00 56.93 58.41 1x5a s PHE 90 Cb -0.17 -2.65 -0.09 0.00 -0.57 0.00 0.00 43.02 39.54 1x5a s PHE 90 CO 0.57 -0.00 0.05 -1.13 -0.10 0.00 0.00 175.22 174.61 1x5a n SER 91 N 4.36 -3.01 -4.75 1.36 3.41 -1.21 -4.87 113.62 108.91 1x5a n SER 91 Ca -0.05 0.49 -0.41 0.00 -0.26 0.00 0.00 58.87 58.64 1x5a n SER 91 Cb 0.51 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.41 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 -2.22 4.42 -0.39 4.33 0.04 -1.26 -4.83 135.00 135.10 1x5a s PRO 92 Ca 0.57 2.05 -0.37 0.00 0.04 0.00 0.00 61.00 63.29 1x5a s PRO 92 Cb -0.34 -3.16 -0.16 0.00 0.04 0.00 0.00 34.50 30.88 1x5a s PRO 92 CO 0.67 -0.16 1.26 -0.40 0.04 0.00 0.00 177.00 178.41 1x5a n ASP 93 N 1.94 0.93 -4.23 6.66 5.68 -1.26 -4.88 116.55 121.40 1x5a n ASP 93 Ca 0.03 0.95 -0.39 0.00 -0.50 0.00 0.00 54.79 54.88 1x5a n ASP 93 Cb 0.43 -0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 39.61 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1x5a s HIS 94 N 2.32 3.39 -0.36 2.11 3.76 -1.22 -5.02 115.29 120.26 1x5a s HIS 94 Ca 0.83 -1.76 -0.28 0.00 -0.15 0.00 0.00 55.06 53.70 1x5a s HIS 94 Cb -1.19 -3.03 -0.02 0.00 1.11 0.00 0.00 32.58 29.46 1x5a s HIS 94 CO 0.65 -0.89 1.78 -2.00 -0.85 0.00 0.00 174.74 173.43 1x5a s GLU 95 N 1.35 3.28 0.05 1.40 2.12 -1.26 -3.60 118.70 122.04 1x5a s GLU 95 Ca 0.04 1.32 0.08 0.00 0.36 0.00 0.00 54.97 56.77 1x5a s GLU 95 Cb -0.23 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 29.92 1x5a s GLU 95 CO 0.00 -1.93 -0.23 -0.06 -0.54 0.00 0.00 175.26 172.51 1x5a s PHE 96 N 7.03 1.97 -0.00 5.30 0.08 -1.24 -5.04 117.98 126.09 1x5a s PHE 96 Ca 0.77 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 57.49 1x5a s PHE 96 Cb -0.21 -1.17 -0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1x5a s PHE 96 CO 0.32 0.12 -0.18 0.50 -0.10 0.00 0.00 175.22 175.89 1x5a s ARG 97 N -1.28 1.38 0.89 0.44 3.52 -1.26 -0.88 118.95 121.76 1x5a s ARG 97 Ca 0.09 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 54.89 1x5a s ARG 97 Cb -0.09 -1.36 0.17 0.00 -1.56 0.00 0.00 34.95 32.11 1x5a s ARG 97 CO 0.02 0.37 1.23 0.95 -0.81 0.00 0.00 175.30 177.06 1x5a s THR 98 N -0.50 2.04 0.32 4.11 -4.23 -0.71 -4.91 115.64 111.77 1x5a s THR 98 Ca 0.06 -0.14 -0.27 0.00 -1.18 0.00 0.00 61.69 60.16 1x5a s THR 98 Cb -0.07 -2.90 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 1x5a s THR 98 CO -0.00 0.00 1.05 -0.55 -0.54 0.00 0.00 174.62 174.58 1x5a s SER 99 N -4.82 7.15 0.49 3.99 0.15 -1.12 -4.31 113.70 115.23 1x5a s SER 99 Ca 0.71 2.11 -0.22 0.00 0.70 0.00 0.00 55.95 59.26 1x5a s SER 99 Cb -0.05 -2.61 -0.07 0.00 -1.71 0.00 0.00 66.02 61.59 1x5a s SER 99 CO 0.51 -0.21 1.15 -2.16 1.20 0.00 0.00 173.24 173.73 1x5a s PRO 100 N -1.81 3.61 0.15 5.44 0.04 -1.26 -2.22 135.00 138.96 1x5a s PRO 100 Ca 0.49 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 1x5a s PRO 100 Cb -0.27 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 1x5a s PRO 100 CO 0.34 -0.66 1.49 -1.00 0.04 0.00 0.00 177.00 177.21 1x5a h PRO 101 N 1.74 0.90 -1.24 0.56 0.13 -1.95 -3.27 132.00 128.86 1x5a h PRO 101 Ca -0.50 -0.47 -0.61 0.00 -0.87 0.00 0.00 66.00 63.55 1x5a h PRO 101 Cb 1.25 0.02 -0.39 0.00 0.13 0.00 0.00 31.00 32.01 1x5a h PRO 101 CO 0.59 1.12 -0.30 0.43 -0.23 0.00 0.00 178.00 179.61 1x5a n SER 102 N -4.05 5.57 -1.15 1.44 7.64 -1.26 -5.08 113.62 116.73 1x5a n SER 102 Ca -0.02 -3.76 0.12 0.00 1.01 0.00 0.00 58.87 56.23 1x5a n SER 102 Cb 0.55 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1x5a n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5a n GLY 103 N -0.63 -1.81 3.77 0.23 0.00 -1.23 -4.81 105.19 100.72 1x5a n GLY 103 Ca 0.46 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1x5a n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 104 N -3.30 3.04 -0.06 1.61 0.04 -1.26 -4.89 135.00 130.18 1x5a s PRO 104 Ca 0.00 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1x5a s PRO 104 Cb 0.00 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1x5a s PRO 104 CO 0.00 -1.08 -0.08 -1.54 0.04 0.00 0.00 177.00 174.35 1x5a s SER 105 N -2.25 1.44 0.21 6.66 1.04 -1.26 -5.14 113.70 114.41 1x5a s SER 105 Ca 0.69 -0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.74 1x5a s SER 105 Cb -0.22 -0.64 0.02 0.00 0.10 0.00 0.00 66.02 65.29 1x5a s SER 105 CO 0.35 -0.03 0.54 -0.94 0.98 0.00 0.00 173.24 174.14 1x5a s SER 106 N 0.96 -0.24 0.00 7.02 1.04 -1.26 -5.30 113.70 115.93 1x5a s SER 106 Ca -0.10 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1x5a s SER 106 Cb -0.15 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1x5a s SER 106 CO 0.00 -1.10 0.46 0.61 0.98 0.00 0.00 173.24 174.19