#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 6.22 0.25 1.61 1.04 -1.26 -5.08 113.70 116.49 1x5a s SER 2 Ca 0.00 1.26 -0.00 0.00 0.48 0.00 0.00 55.95 57.69 1x5a s SER 2 Cb 0.00 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 1x5a s SER 2 CO 0.00 -0.79 0.44 -0.55 0.98 0.00 0.00 173.24 173.32 1x5a s SER 3 N -4.16 6.36 -0.29 7.02 0.15 -1.26 -5.08 113.70 116.44 1x5a s SER 3 Ca 0.53 0.40 -0.29 0.00 0.70 0.00 0.00 55.95 57.29 1x5a s SER 3 Cb -0.11 -2.01 0.19 0.00 -1.71 0.00 0.00 66.02 62.39 1x5a s SER 3 CO 0.51 -0.13 1.36 -0.83 1.20 0.00 0.00 173.24 175.36 1x5a s GLY 4 N -3.50 0.12 0.06 9.45 0.00 -1.26 -5.05 107.32 107.13 1x5a s GLY 4 Ca 0.39 2.91 0.00 0.00 0.00 0.00 0.00 44.72 48.01 1x5a s GLY 4 CO 0.31 1.20 0.00 -1.14 0.00 0.00 0.00 173.10 173.47 1x5a n SER 5 N 0.65 0.33 -4.71 1.64 3.41 -1.26 -4.53 113.62 109.15 1x5a n SER 5 Ca -0.01 0.09 -0.35 0.00 -0.26 0.00 0.00 58.87 58.33 1x5a n SER 5 Cb 0.59 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1x5a n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x5a s SER 6 N -5.31 6.20 0.00 4.04 1.04 -1.26 -4.38 113.70 114.03 1x5a s SER 6 Ca 0.00 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1x5a s SER 6 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1x5a s SER 6 CO 0.00 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1x5a n GLY 7 N 3.71 2.07 3.18 7.32 0.00 -1.26 -4.73 105.19 115.49 1x5a n GLY 7 Ca -0.15 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a n ALA 8 N 0.00 4.39 -2.83 4.61 0.00 -1.26 -5.03 120.51 120.39 1x5a n ALA 8 Ca 0.00 -4.70 -0.21 0.00 0.00 0.00 0.00 53.44 48.54 1x5a n ALA 8 Cb 0.00 -2.23 0.08 0.00 0.00 0.00 0.00 19.45 17.30 1x5a n ALA 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x5a n GLU 9 N 2.19 0.36 -1.46 0.00 0.28 -1.26 -3.99 120.64 116.75 1x5a n GLU 9 Ca 0.24 -2.57 -0.55 0.00 -0.16 0.00 0.00 57.16 54.13 1x5a n GLU 9 Cb 0.37 -0.37 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 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 -2.64 -0.44 -4.92 -1.84 2.88 -1.26 -4.95 113.62 100.45 1x5a n SER 10 Ca 0.14 1.15 -0.20 0.00 -1.33 0.00 0.00 58.87 58.64 1x5a n SER 10 Cb 0.52 -0.94 -0.02 0.00 -0.75 0.00 0.00 64.21 63.02 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 1.14 3.53 -0.66 2.46 2.96 -1.26 -5.00 118.68 121.83 1x5a s LEU 11 Ca 0.80 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 1x5a s LEU 11 Cb -1.13 -2.29 -0.08 0.00 0.50 0.00 0.00 46.19 43.19 1x5a s LEU 11 CO 0.56 -0.64 3.07 -1.20 -1.32 0.00 0.00 176.35 176.82 1x5a n SER 12 N -1.62 6.74 -3.60 3.68 7.64 -1.26 -4.67 113.62 120.53 1x5a n SER 12 Ca 0.04 -2.80 -0.27 0.00 1.01 0.00 0.00 58.87 56.85 1x5a n SER 12 Cb 0.61 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 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 2.16 -0.48 2.56 0.23 0.00 -1.26 -4.87 105.19 103.53 1x5a n GLY 13 Ca 0.55 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.04 2.79 -4.53 0.99 4.77 -1.26 -4.47 117.00 111.24 1x5a n LEU 14 Ca 0.01 -4.69 -0.42 0.00 -0.03 0.00 0.00 56.01 50.87 1x5a n LEU 14 Cb 0.53 0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1x5a n LEU 14 CO 0.62 2.01 0.30 -0.94 -1.33 0.00 0.00 177.39 178.05 1x5a s SER 15 N -3.18 6.32 0.52 -1.43 1.04 -1.26 -4.81 113.70 110.90 1x5a s SER 15 Ca 0.39 -0.20 -0.22 0.00 0.48 0.00 0.00 55.95 56.40 1x5a s SER 15 Cb 0.40 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 64.17 1x5a s SER 15 CO -0.08 -0.63 1.30 -0.76 0.98 0.00 0.00 173.24 174.05 1x5a s LEU 16 N 2.59 3.89 0.04 2.42 1.43 -1.26 -4.52 118.68 123.26 1x5a s LEU 16 Ca 0.20 2.63 0.01 0.00 -1.03 0.00 0.00 54.13 55.94 1x5a s LEU 16 Cb -0.15 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 1x5a s LEU 16 CO 0.16 -1.39 -0.05 -1.59 0.23 0.00 0.00 176.35 173.71 1x5a s LYS 17 N -2.86 0.45 -0.72 1.70 -2.85 -1.21 -4.99 119.74 109.25 1x5a s LYS 17 Ca 0.70 -0.79 -0.21 0.00 -1.00 0.00 0.00 55.97 54.67 1x5a s LYS 17 Cb -0.37 -0.02 0.09 0.00 -2.06 0.00 0.00 37.83 35.47 1x5a s LYS 17 CO 0.44 -0.03 0.99 -1.17 0.10 0.00 0.00 175.35 175.68 1x5a s LEU 18 N -1.80 4.64 -0.02 2.77 2.96 -1.26 -3.23 118.68 122.74 1x5a s LEU 18 Ca -0.09 -1.31 -0.20 0.00 -0.22 0.00 0.00 54.13 52.31 1x5a s LEU 18 Cb -0.07 -2.40 -0.11 0.00 0.50 0.00 0.00 46.19 44.11 1x5a s LEU 18 CO -0.02 -1.32 0.84 0.58 -1.32 0.00 0.00 176.35 175.12 1x5a h VAL 19 N 5.95 0.09 -3.40 1.68 2.07 -1.55 -3.45 116.25 117.63 1x5a h VAL 19 Ca -0.17 -0.52 -0.39 0.00 0.82 0.00 0.00 66.70 66.43 1x5a h VAL 19 Cb 1.06 0.13 -0.36 0.00 -1.52 0.00 0.00 31.29 30.61 1x5a h VAL 19 CO 1.16 0.02 -0.76 -0.75 0.02 0.00 0.00 177.57 177.26 1x5a s LYS 20 N -3.88 0.54 -0.23 1.57 2.20 -1.20 -5.01 119.74 113.74 1x5a s LYS 20 Ca -0.11 0.05 -0.16 0.00 -0.36 0.00 0.00 55.97 55.39 1x5a s LYS 20 Cb 0.01 -0.75 -0.04 0.00 -1.51 0.00 0.00 37.83 35.55 1x5a s LYS 20 CO 0.33 -0.18 0.42 0.21 -0.36 0.00 0.00 175.35 175.77 1x5a s LYS 21 N 1.35 4.12 0.05 4.03 2.20 -1.26 -2.60 119.74 127.62 1x5a s LYS 21 Ca -0.05 0.20 -0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1x5a s LYS 21 Cb -0.13 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1x5a s LYS 21 CO -0.02 -0.15 -0.04 -1.21 -0.36 0.00 0.00 175.35 173.57 1x5a s GLU 22 N 1.67 0.57 0.14 4.03 0.41 -1.01 -4.59 118.70 119.92 1x5a s GLU 22 Ca 0.19 -1.08 -0.11 0.00 -0.41 0.00 0.00 54.97 53.56 1x5a s GLU 22 Cb -0.15 0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.27 1x5a s GLU 22 CO 0.09 -0.08 1.47 -1.00 -0.49 0.00 0.00 175.26 175.25 1x5a h PRO 23 N 3.52 0.93 -0.04 0.39 0.13 -1.90 -2.79 132.00 132.25 1x5a h PRO 23 Ca -0.34 -0.49 -0.02 0.00 -0.87 0.00 0.00 66.00 64.28 1x5a h PRO 23 Cb 1.16 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1x5a h PRO 23 CO 0.59 1.15 -0.41 0.54 -0.23 0.00 0.00 178.00 179.64 1x5a n ARG 24 N -4.07 1.60 -3.50 0.86 1.74 -1.26 -2.26 116.66 109.75 1x5a n ARG 24 Ca -0.02 -3.22 -0.13 0.00 -0.77 0.00 0.00 57.85 53.70 1x5a n ARG 24 Cb 0.54 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 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 -3.20 0.97 -0.22 5.56 0.74 -1.24 -3.22 119.66 119.06 1x5a s GLN 25 Ca 0.38 -0.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.71 1x5a s GLN 25 Cb 0.36 0.45 0.11 0.00 1.10 0.00 0.00 33.01 35.04 1x5a s GLN 25 CO -0.05 -0.36 0.41 -0.51 -0.55 0.00 0.00 175.29 174.23 1x5a s LEU 26 N -1.77 -0.69 -0.04 3.68 1.43 0.05 -2.40 118.68 118.94 1x5a s LEU 26 Ca -0.03 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1x5a s LEU 26 Cb -0.01 1.31 -0.03 0.00 0.03 0.00 0.00 46.19 47.49 1x5a s LEU 26 CO -0.01 -0.26 0.01 -0.70 0.23 0.00 0.00 176.35 175.62 1x5a s GLU 27 N 2.60 2.90 0.10 1.70 2.12 -1.07 -1.22 118.70 125.83 1x5a s GLU 27 Ca 0.05 -0.51 -0.10 0.00 0.36 0.00 0.00 54.97 54.78 1x5a s GLU 27 Cb -0.14 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.52 1x5a s GLU 27 CO -0.14 0.66 0.22 -0.51 -0.54 0.00 0.00 175.26 174.95 1x5a s LEU 28 N -1.26 1.27 -0.19 2.70 1.43 -1.16 -1.32 118.68 120.15 1x5a s LEU 28 Ca 0.17 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 1x5a s LEU 28 Cb -0.11 1.14 0.05 0.00 0.03 0.00 0.00 46.19 47.30 1x5a s LEU 28 CO 0.07 -0.76 0.50 0.28 0.23 0.00 0.00 176.35 176.67 1x5a s THR 29 N -3.86 -0.00 -0.25 5.49 -1.32 -1.20 -2.80 115.64 111.69 1x5a s THR 29 Ca 0.06 0.01 -0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1x5a s THR 29 Cb 0.04 -0.71 0.07 0.00 -1.51 0.00 0.00 72.50 70.40 1x5a s THR 29 CO -0.10 0.01 0.00 -1.66 -2.21 0.00 0.00 174.62 170.66 1x5a s TRP 30 N 0.50 2.03 -0.03 9.09 -2.14 -0.62 -3.35 118.94 124.42 1x5a s TRP 30 Ca -0.02 -1.62 -0.12 0.00 2.66 0.00 0.00 56.10 57.00 1x5a s TRP 30 Cb -0.04 -1.57 0.02 0.00 -3.10 0.00 0.00 33.47 28.78 1x5a s TRP 30 CO -0.02 -0.77 0.27 0.00 -2.66 0.00 0.00 176.95 173.77 1x5a s ALA 31 N 1.52 -0.68 0.00 2.67 0.00 -1.26 -4.80 121.76 119.21 1x5a s ALA 31 Ca -0.00 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1x5a s ALA 31 Cb -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1x5a s ALA 31 CO -0.10 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1x5a n GLY 32 N 1.65 -0.44 3.19 0.00 0.00 -1.26 -4.97 105.19 103.36 1x5a n GLY 32 Ca -0.20 0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.18 -3.60 1.61 2.88 -1.26 -5.00 113.62 104.07 1x5a n SER 33 Ca 0.00 0.53 -0.15 0.00 -1.33 0.00 0.00 58.87 57.92 1x5a n SER 33 Cb 0.00 -0.84 -0.07 0.00 -0.75 0.00 0.00 64.21 62.55 1x5a n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5a s ARG 34 N -1.33 0.90 1.14 -1.46 1.70 -1.26 -4.90 118.95 113.75 1x5a s ARG 34 Ca 0.53 0.71 -0.17 0.00 -0.47 0.00 0.00 55.73 56.33 1x5a s ARG 34 Cb -0.41 0.43 0.26 0.00 -0.57 0.00 0.00 34.95 34.66 1x5a s ARG 34 CO 0.70 -0.18 1.10 -1.25 -1.08 0.00 0.00 175.30 174.59 1x5a s PRO 35 N -0.20 -0.75 0.25 3.89 0.04 -1.26 -4.95 135.00 132.02 1x5a s PRO 35 Ca -0.04 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.07 1x5a s PRO 35 Cb -0.03 -1.64 0.30 0.00 0.04 0.00 0.00 34.50 33.18 1x5a s PRO 35 CO 0.04 -3.43 1.79 0.07 0.04 0.00 0.00 177.00 175.50 1x5a h ARG 36 N -2.39 0.93 -5.87 4.56 0.11 -2.06 -3.43 114.38 106.23 1x5a h ARG 36 Ca -0.48 -0.21 -0.55 0.00 0.10 0.00 0.00 59.98 58.84 1x5a h ARG 36 Cb 1.31 -0.13 -0.27 0.00 1.11 0.00 0.00 29.97 31.99 1x5a h ARG 36 CO 0.42 0.84 -0.83 -0.80 0.10 0.00 0.00 179.97 179.69 1x5a s ASN 37 N -6.54 2.26 0.33 0.08 -0.87 -1.26 -5.04 114.94 103.90 1x5a s ASN 37 Ca -0.10 -0.46 0.12 0.00 -1.57 0.00 0.00 52.86 50.85 1x5a s ASN 37 Cb 0.15 -0.20 0.58 0.00 -0.02 0.00 0.00 41.25 41.76 1x5a s ASN 37 CO 0.82 0.16 1.74 1.55 -2.57 0.00 0.00 177.10 178.79 1x5a h PRO 38 N 5.12 0.00 0.00 -0.60 0.13 -2.01 -3.49 132.00 131.16 1x5a h PRO 38 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1x5a h PRO 38 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x5a h PRO 38 CO 0.45 0.47 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1x5a n GLY 39 N -0.13 1.41 1.08 1.56 0.00 -1.26 -4.86 105.19 103.00 1x5a n GLY 39 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 3.62 -0.02 0.00 -1.26 -5.03 105.19 103.99 1x5a n GLY 40 Ca 0.00 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1x5a n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5a s ASN 41 N -2.05 6.64 0.48 1.61 -0.87 -1.26 -5.01 114.94 114.47 1x5a s ASN 41 Ca 0.17 1.00 0.08 0.00 -1.57 0.00 0.00 52.86 52.55 1x5a s ASN 41 Cb -0.01 -2.54 0.02 0.00 -0.02 0.00 0.00 41.25 38.70 1x5a s ASN 41 CO 0.11 -1.15 0.52 -0.76 -2.57 0.00 0.00 177.10 173.26 1x5a s LEU 42 N 4.50 3.27 0.00 0.60 1.43 -1.26 -5.15 118.68 122.07 1x5a s LEU 42 Ca 0.55 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1x5a s LEU 42 Cb -0.14 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1x5a s LEU 42 CO 0.25 -0.91 0.08 -1.54 0.23 0.00 0.00 176.35 174.46 1x5a n SER 43 N -1.81 1.60 -3.78 2.29 3.41 -1.26 -4.89 113.62 109.18 1x5a n SER 43 Ca 0.06 -2.53 -0.13 0.00 -0.26 0.00 0.00 58.87 56.02 1x5a n SER 43 Cb 0.62 0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 65.04 1x5a n SER 43 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1x5a s TYR 44 N -2.53 -0.25 -0.27 7.33 2.02 0.91 -2.91 117.35 121.65 1x5a s TYR 44 Ca 0.11 0.61 -0.12 0.00 -0.37 0.00 0.00 57.07 57.30 1x5a s TYR 44 Cb 0.01 0.05 -0.05 0.00 -0.40 0.00 0.00 41.96 41.57 1x5a s TYR 44 CO 0.08 -0.15 0.24 -2.00 -1.57 0.00 0.00 175.55 172.14 1x5a s GLU 45 N 0.54 3.98 -0.14 -0.62 2.12 -1.04 -0.19 118.70 123.36 1x5a s GLU 45 Ca -0.04 -0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 1x5a s GLU 45 Cb -0.05 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1x5a s GLU 45 CO -0.03 -0.18 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.26 1x5a s LEU 46 N 1.76 2.97 -0.25 2.70 1.98 -0.75 -1.73 118.68 125.36 1x5a s LEU 46 Ca 0.09 -0.23 -0.01 0.00 -2.89 0.00 0.00 54.13 51.10 1x5a s LEU 46 Cb -0.16 -1.69 0.08 0.00 0.66 0.00 0.00 46.19 45.08 1x5a s LEU 46 CO 0.10 0.17 0.04 -2.28 -1.89 0.00 0.00 176.35 172.49 1x5a s HIS 47 N 0.33 1.73 -0.12 5.38 5.65 -0.68 0.31 115.29 127.88 1x5a s HIS 47 Ca -0.07 -1.49 -0.08 0.00 0.25 0.00 0.00 55.06 53.67 1x5a s HIS 47 Cb -0.15 -1.49 -0.04 0.00 -1.18 0.00 0.00 32.58 29.72 1x5a s HIS 47 CO 0.04 -0.76 0.17 0.08 -0.65 0.00 0.00 174.74 173.62 1x5a s VAL 48 N 1.62 5.45 0.24 0.89 1.01 0.70 -2.96 120.40 127.35 1x5a s VAL 48 Ca 0.02 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1x5a s VAL 48 Cb -0.18 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1x5a s VAL 48 CO -0.14 0.59 -0.12 -0.76 0.00 0.00 0.00 175.10 174.67 1x5a s LEU 49 N -0.83 2.54 0.22 3.92 1.02 0.37 -0.35 118.68 125.57 1x5a s LEU 49 Ca 0.15 -1.08 -0.12 0.00 0.02 0.00 0.00 54.13 53.10 1x5a s LEU 49 Cb -0.12 -0.72 -0.00 0.00 0.02 0.00 0.00 46.19 45.36 1x5a s LEU 49 CO 0.04 -0.20 0.43 0.21 0.02 0.00 0.00 176.35 176.85 1x5a s ASN 50 N -3.39 -0.07 0.06 2.29 2.47 0.28 -1.27 114.94 115.32 1x5a s ASN 50 Ca 0.26 -0.90 -0.12 0.00 0.42 0.00 0.00 52.86 52.52 1x5a s ASN 50 Cb 0.00 0.54 -0.03 0.00 -1.45 0.00 0.00 41.25 40.32 1x5a s ASN 50 CO 0.10 -1.07 0.89 1.67 -3.72 0.00 0.00 177.10 174.97 1x5a n GLN 51 N -0.34 -0.17 -0.75 0.43 7.27 -1.26 -2.69 117.38 119.87 1x5a n GLN 51 Ca -0.03 0.88 0.05 0.00 0.07 0.00 0.00 57.00 57.97 1x5a n GLN 51 Cb 0.62 -1.30 0.10 0.00 2.41 0.00 0.00 30.24 32.07 1x5a n GLN 51 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1x5a n ASP 52 N -3.87 1.28 -3.63 1.69 8.00 -1.26 -5.01 116.55 113.75 1x5a n ASP 52 Ca 0.01 -2.79 -0.22 0.00 0.71 0.00 0.00 54.79 52.50 1x5a n ASP 52 Cb 0.10 -0.37 -0.17 0.00 -0.02 0.00 0.00 41.12 40.65 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 -1.54 0.01 -0.11 -1.24 0.41 -1.10 -5.13 118.70 110.01 1x5a s GLU 53 Ca 0.28 0.22 0.03 0.00 -0.41 0.00 0.00 54.97 55.09 1x5a s GLU 53 Cb 0.28 -1.02 0.01 0.00 -1.78 0.00 0.00 34.13 31.62 1x5a s GLU 53 CO -0.07 -0.48 -0.20 -2.00 -0.49 0.00 0.00 175.26 172.02 1x5a s GLU 54 N 2.19 2.68 -0.09 1.61 2.12 -1.26 0.10 118.70 126.04 1x5a s GLU 54 Ca 0.04 -0.74 -0.10 0.00 0.36 0.00 0.00 54.97 54.53 1x5a s GLU 54 Cb -0.14 -2.13 0.03 0.00 0.26 0.00 0.00 34.13 32.15 1x5a s GLU 54 CO -0.06 0.05 0.27 1.67 -0.54 0.00 0.00 175.26 176.65 1x5a s TRP 55 N 0.66 -0.28 0.11 5.30 -2.14 0.52 -5.00 118.94 118.12 1x5a s TRP 55 Ca -0.12 0.67 0.07 0.00 2.66 0.00 0.00 56.10 59.37 1x5a s TRP 55 Cb -0.16 0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.27 1x5a s TRP 55 CO 0.03 -0.16 -0.16 -3.38 -2.66 0.00 0.00 176.95 170.61 1x5a s HIS 56 N -0.00 1.53 -0.15 1.66 -3.43 -1.26 -0.21 115.29 113.42 1x5a s HIS 56 Ca -0.01 -0.49 -0.11 0.00 -0.80 0.00 0.00 55.06 53.65 1x5a s HIS 56 Cb -0.02 -0.81 0.05 0.00 -1.43 0.00 0.00 32.58 30.36 1x5a s HIS 56 CO 0.01 0.17 0.38 1.14 -2.00 0.00 0.00 174.74 174.44 1x5a s GLN 57 N -2.32 0.40 -0.25 -0.38 -2.07 0.15 -4.96 119.66 110.23 1x5a s GLN 57 Ca 0.07 0.63 -0.27 0.00 -1.82 0.00 0.00 55.36 53.98 1x5a s GLN 57 Cb -0.07 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 31.94 1x5a s GLN 57 CO 0.04 -0.11 0.95 1.41 -1.32 0.00 0.00 175.29 176.26 1x5a s MET 58 N 0.78 4.20 0.00 9.60 -2.45 -1.26 -1.81 119.30 128.36 1x5a s MET 58 Ca -0.05 1.13 0.05 0.00 -1.25 0.00 0.00 55.69 55.58 1x5a s MET 58 Cb -0.06 -3.66 -0.03 0.00 1.25 0.00 0.00 34.83 32.34 1x5a s MET 58 CO -0.06 -0.61 -0.16 0.14 1.05 0.00 0.00 175.02 175.38 1x5a s VAL 59 N 3.08 2.95 -0.15 10.11 -7.23 0.73 -4.95 120.40 124.96 1x5a s VAL 59 Ca 0.40 -0.98 0.18 0.00 -1.81 0.00 0.00 61.98 59.77 1x5a s VAL 59 Cb -0.15 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.48 1x5a s VAL 59 CO 0.08 0.44 0.90 -0.07 -0.31 0.00 0.00 175.10 176.13 1x5a h LEU 60 N 4.84 0.00-10.06 1.32 3.38 -1.90 0.26 115.31 113.14 1x5a h LEU 60 Ca -0.47 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.98 1x5a h LEU 60 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1x5a h LEU 60 CO 0.49 0.47 -0.09 -1.83 0.09 0.00 0.00 178.44 177.57 1x5a s GLU 61 N -3.00 3.72 0.00 1.13 -1.05 -1.26 -4.61 118.70 113.62 1x5a s GLU 61 Ca -0.02 0.18 0.11 0.00 -0.15 0.00 0.00 54.97 55.09 1x5a s GLU 61 Cb 0.09 -2.61 0.65 0.00 -0.44 0.00 0.00 34.13 31.82 1x5a s GLU 61 CO 0.80 0.22 1.08 -0.35 0.95 0.00 0.00 175.26 177.96 1x5a n PRO 62 N -0.68 0.49 -4.48 -4.83 -0.04 -1.26 -4.73 135.00 119.47 1x5a n PRO 62 Ca -0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1x5a n PRO 62 Cb 0.53 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.68 -0.16 0.54 1.70 -1.26 -1.60 118.95 117.85 1x5a s ARG 63 Ca 0.16 -1.88 -0.11 0.00 -0.47 0.00 0.00 55.73 53.43 1x5a s ARG 63 Cb 0.07 -1.31 0.05 0.00 -0.57 0.00 0.00 34.95 33.19 1x5a s ARG 63 CO 0.13 0.02 0.41 0.54 -1.08 0.00 0.00 175.30 175.32 1x5a s VAL 64 N -2.91 -0.02 -0.38 4.99 0.11 -1.12 -4.92 120.40 116.16 1x5a s VAL 64 Ca 0.32 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.35 1x5a s VAL 64 Cb 0.05 -0.59 0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1x5a s VAL 64 CO 0.14 0.02 0.18 -0.22 -3.33 0.00 0.00 175.10 171.89 1x5a s LEU 65 N 0.93 4.72 -0.14 2.54 1.98 -1.26 -2.97 118.68 124.48 1x5a s LEU 65 Ca -0.06 -1.32 -0.16 0.00 -2.89 0.00 0.00 54.13 49.70 1x5a s LEU 65 Cb -0.06 -1.92 -0.04 0.00 0.66 0.00 0.00 46.19 44.82 1x5a s LEU 65 CO -0.07 -0.42 0.40 -0.76 -1.89 0.00 0.00 176.35 173.60 1x5a s LEU 66 N 1.41 4.25 0.35 -0.68 1.43 -0.35 -4.99 118.68 120.09 1x5a s LEU 66 Ca 0.01 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1x5a s LEU 66 Cb -0.21 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1x5a s LEU 66 CO 0.02 0.03 0.11 0.42 0.23 0.00 0.00 176.35 177.16 1x5a s THR 67 N 0.63 0.72 -1.22 5.49 -4.23 -1.26 -0.77 115.64 115.00 1x5a s THR 67 Ca 0.22 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1x5a s THR 67 Cb -0.14 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.16 1x5a s THR 67 CO 0.07 0.00 1.06 0.29 -0.54 0.00 0.00 174.62 175.50 1x5a n LYS 68 N -0.73 -7.08 -2.56 3.99 5.02 -1.20 -4.95 118.16 110.65 1x5a n LYS 68 Ca -0.03 0.78 -0.16 0.00 -2.02 0.00 0.00 58.31 56.87 1x5a n LYS 68 Cb 0.66 -5.64 0.06 0.00 -0.02 0.00 0.00 35.03 30.08 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 -4.48 0.00 -4.59 -0.35 4.77 -1.25 -5.05 117.00 106.06 1x5a n LEU 69 Ca -0.07 -2.01 -0.33 0.00 -0.03 0.00 0.00 56.01 53.57 1x5a n LEU 69 Cb 0.58 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 1x5a n LEU 69 CO 0.59 -0.71 -0.38 -1.10 -1.33 0.00 0.00 177.39 174.46 1x5a s GLN 70 N -4.23 2.63 0.21 3.23 -0.21 -1.25 -4.55 119.66 115.50 1x5a s GLN 70 Ca 0.51 -0.65 -0.30 0.00 0.02 0.00 0.00 55.36 54.94 1x5a s GLN 70 Cb -0.04 -2.54 -0.09 0.00 1.00 0.00 0.00 33.01 31.34 1x5a s GLN 70 CO 0.32 0.63 1.30 -1.25 -2.12 0.00 0.00 175.29 174.17 1x5a s PRO 71 N -1.17 4.40 -1.17 2.91 0.04 -0.96 -3.47 135.00 135.58 1x5a s PRO 71 Ca 0.15 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.24 1x5a s PRO 71 Cb -0.11 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1x5a s PRO 71 CO 0.05 -0.22 0.98 -3.47 0.04 0.00 0.00 177.00 174.38 1x5a n ASP 72 N 2.41 -2.39 -3.95 6.66 2.03 -1.07 -4.81 116.55 115.43 1x5a n ASP 72 Ca 0.05 -0.62 -0.17 0.00 0.52 0.00 0.00 54.79 54.57 1x5a n ASP 72 Cb 0.43 -5.06 -0.15 0.00 -0.72 0.00 0.00 41.12 35.62 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 -3.36 0.48 -0.12 5.18 2.01 -1.23 -4.95 115.64 113.66 1x5a s THR 73 Ca 0.03 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 1x5a s THR 73 Cb -0.00 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 1x5a s THR 73 CO 0.72 0.15 0.98 -0.89 -0.69 0.00 0.00 174.62 174.89 1x5a s THR 74 N 0.12 4.80 -0.12 -0.82 2.01 -1.26 -2.73 115.64 117.64 1x5a s THR 74 Ca -0.01 1.98 0.02 0.00 0.31 0.00 0.00 61.69 63.99 1x5a s THR 74 Cb -0.05 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.18 1x5a s THR 74 CO -0.00 0.00 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.44 1x5a s TYR 75 N 2.06 2.26 0.05 4.92 2.02 -0.14 -4.31 117.35 124.21 1x5a s TYR 75 Ca 0.47 -1.09 -0.18 0.00 -0.37 0.00 0.00 57.07 55.91 1x5a s TYR 75 Cb -0.18 -1.58 -0.06 0.00 -0.40 0.00 0.00 41.96 39.74 1x5a s TYR 75 CO 0.17 -0.52 0.51 0.42 -1.57 0.00 0.00 175.55 174.56 1x5a s ILE 76 N 0.88 4.84 0.03 2.71 -1.09 -0.39 -3.24 121.20 124.94 1x5a s ILE 76 Ca -0.08 1.07 0.02 0.00 -2.23 0.00 0.00 60.65 59.43 1x5a s ILE 76 Cb -0.15 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1x5a s ILE 76 CO -0.01 0.55 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.50 1x5a s VAL 77 N -1.11 0.42 -0.26 2.92 1.01 -1.24 -0.48 120.40 121.66 1x5a s VAL 77 Ca 0.28 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1x5a s VAL 77 Cb -0.18 -0.49 0.09 0.00 0.00 0.00 0.00 36.38 35.80 1x5a s VAL 77 CO 0.17 -0.35 0.60 0.00 0.00 0.00 0.00 175.10 175.51 1x5a s ARG 78 N -1.38 0.57 0.09 2.72 1.70 -1.15 -3.49 118.95 118.00 1x5a s ARG 78 Ca -0.10 1.19 0.10 0.00 -0.47 0.00 0.00 55.73 56.45 1x5a s ARG 78 Cb -0.09 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1x5a s ARG 78 CO 0.00 -0.18 -0.25 0.54 -1.08 0.00 0.00 175.30 174.34 1x5a s VAL 79 N 2.07 2.36 0.29 4.99 0.11 -1.26 -1.69 120.40 127.26 1x5a s VAL 79 Ca -0.08 -1.55 0.02 0.00 -2.93 0.00 0.00 61.98 57.45 1x5a s VAL 79 Cb -0.08 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 1x5a s VAL 79 CO -0.18 0.21 0.12 0.00 -3.33 0.00 0.00 175.10 171.92 1x5a s ARG 80 N -1.74 1.51 -0.35 1.54 1.70 -0.71 -3.78 118.95 117.12 1x5a s ARG 80 Ca 0.14 -1.85 -0.04 0.00 -0.47 0.00 0.00 55.73 53.52 1x5a s ARG 80 Cb -0.10 -0.21 0.07 0.00 -0.57 0.00 0.00 34.95 34.14 1x5a s ARG 80 CO 0.05 -0.37 0.11 0.99 -1.08 0.00 0.00 175.30 175.00 1x5a s THR 81 N -3.66 3.33 0.50 4.99 2.01 -1.26 -2.48 115.64 119.06 1x5a s THR 81 Ca 0.36 -1.56 -0.22 0.00 0.31 0.00 0.00 61.69 60.58 1x5a s THR 81 Cb 0.06 -3.04 -0.08 0.00 0.01 0.00 0.00 72.50 69.45 1x5a s THR 81 CO 0.15 -0.34 1.13 0.18 -0.69 0.00 0.00 174.62 175.05 1x5a n LEU 82 N 4.67 3.83 -3.68 4.42 7.99 -1.15 -1.98 117.00 131.10 1x5a n LEU 82 Ca -0.09 0.97 -0.13 0.00 -0.01 0.00 0.00 56.01 56.75 1x5a n LEU 82 Cb 0.43 -1.44 -0.07 0.00 -0.11 0.00 0.00 43.42 42.23 1x5a n LEU 82 CO 0.30 -1.21 0.13 0.42 -1.51 0.00 0.00 177.39 175.52 1x5a s THR 83 N -1.33 0.06 0.27 -5.08 -4.23 -1.26 -4.67 115.64 99.39 1x5a s THR 83 Ca 0.68 -0.46 0.05 0.00 -1.18 0.00 0.00 61.69 60.77 1x5a s THR 83 Cb -0.48 -0.90 0.01 0.00 1.34 0.00 0.00 72.50 72.48 1x5a s THR 83 CO 0.53 -0.26 1.65 1.55 -0.54 0.00 0.00 174.62 177.55 1x5a h PRO 84 N 3.18 0.30 -3.56 3.99 0.13 -2.02 -3.40 132.00 130.62 1x5a h PRO 84 Ca -0.31 -0.16 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 1x5a h PRO 84 Cb 1.20 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1x5a h PRO 84 CO 0.43 0.70 -0.71 -0.51 -0.23 0.00 0.00 178.00 177.68 1x5a s LEU 85 N -8.23 3.51 -0.05 1.56 1.43 -1.26 -4.96 118.68 110.68 1x5a s LEU 85 Ca -0.05 -2.46 -0.04 0.00 -1.03 0.00 0.00 54.13 50.55 1x5a s LEU 85 Cb 0.13 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 45.06 1x5a s LEU 85 CO 0.79 -0.31 0.07 0.61 0.23 0.00 0.00 176.35 177.74 1x5a n GLY 86 N 3.80 -3.63 3.77 -3.19 0.00 -1.26 -5.02 105.19 99.67 1x5a n GLY 86 Ca 0.05 0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.91 2.44 0.63 1.61 0.04 -1.26 -4.67 135.00 132.88 1x5a s PRO 87 Ca -0.09 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.02 1x5a s PRO 87 Cb 0.01 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1x5a s PRO 87 CO 0.23 -1.51 1.26 0.20 0.04 0.00 0.00 177.00 177.21 1x5a s GLY 88 N -3.12 2.78 -0.02 0.56 0.00 -0.84 -4.93 107.32 101.75 1x5a s GLY 88 Ca 0.63 1.12 -0.30 0.00 0.00 0.00 0.00 44.72 46.17 1x5a s GLY 88 CO 0.51 1.53 1.47 2.56 0.00 0.00 0.00 173.10 179.17 1x5a s PRO 89 N -3.40 4.25 -0.32 2.90 0.04 -1.26 -4.61 135.00 132.59 1x5a s PRO 89 Ca 0.80 2.02 -0.34 0.00 0.04 0.00 0.00 61.00 63.52 1x5a s PRO 89 Cb -0.34 -3.68 -0.10 0.00 0.04 0.00 0.00 34.50 30.41 1x5a s PRO 89 CO 0.38 -0.66 2.18 1.19 0.04 0.00 0.00 177.00 180.13 1x5a n PHE 90 N 5.88 1.69 -1.01 0.56 3.72 -1.26 -4.85 117.46 122.19 1x5a n PHE 90 Ca 0.14 0.20 -0.34 0.00 -0.05 0.00 0.00 57.45 57.41 1x5a n PHE 90 Cb 0.43 -2.57 0.03 0.00 -0.94 0.00 0.00 39.48 36.43 1x5a n PHE 90 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x5a n SER 91 N 10.03 -4.63 -4.75 4.37 3.41 -1.25 -4.83 113.62 115.98 1x5a n SER 91 Ca 0.39 0.35 -0.41 0.00 -0.26 0.00 0.00 58.87 58.93 1x5a n SER 91 Cb 0.27 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.45 4.42 -0.72 4.33 0.04 -1.26 -4.83 135.00 135.53 1x5a s PRO 92 Ca 0.43 2.05 -0.35 0.00 0.04 0.00 0.00 61.00 63.18 1x5a s PRO 92 Cb -0.29 -3.17 -0.19 0.00 0.04 0.00 0.00 34.50 30.89 1x5a s PRO 92 CO 0.69 -0.17 2.29 -0.40 0.04 0.00 0.00 177.00 179.45 1x5a n ASP 93 N 1.99 0.47 -4.48 6.66 5.75 -1.26 -4.83 116.55 120.85 1x5a n ASP 93 Ca 0.04 0.39 -0.43 0.00 -0.01 0.00 0.00 54.79 54.77 1x5a n ASP 93 Cb 0.43 -0.85 -0.05 0.00 -1.03 0.00 0.00 41.12 39.62 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 7.13 2.89 -0.01 2.11 3.76 -1.23 -5.00 115.29 124.94 1x5a s HIS 94 Ca 1.20 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 55.51 1x5a s HIS 94 Cb -1.28 -3.89 -0.06 0.00 1.11 0.00 0.00 32.58 28.46 1x5a s HIS 94 CO 0.53 -1.26 1.55 -2.00 -0.85 0.00 0.00 174.74 172.72 1x5a s GLU 95 N 3.41 4.22 0.03 1.40 -6.30 -1.26 -3.62 118.70 116.57 1x5a s GLU 95 Ca 0.23 2.13 0.03 0.00 -2.50 0.00 0.00 54.97 54.86 1x5a s GLU 95 Cb -0.16 -3.75 -0.02 0.00 0.00 0.00 0.00 34.13 30.21 1x5a s GLU 95 CO 0.15 -0.73 -0.10 -0.06 0.02 0.00 0.00 175.26 174.55 1x5a s PHE 96 N 3.14 0.84 -0.06 5.30 0.08 -1.20 -5.03 117.98 121.04 1x5a s PHE 96 Ca 0.70 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 57.45 1x5a s PHE 96 Cb -0.34 -0.50 -0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1x5a s PHE 96 CO 0.28 -0.02 -0.19 0.50 -0.10 0.00 0.00 175.22 175.69 1x5a s ARG 97 N -1.05 2.15 0.72 0.44 3.52 -1.26 -0.97 118.95 122.50 1x5a s ARG 97 Ca -0.03 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 54.78 1x5a s ARG 97 Cb -0.07 -1.78 0.03 0.00 -1.56 0.00 0.00 34.95 31.56 1x5a s ARG 97 CO 0.01 0.23 1.11 0.95 -0.81 0.00 0.00 175.30 176.78 1x5a s THR 98 N 0.15 3.19 0.41 4.11 -4.23 -1.11 -4.89 115.64 113.27 1x5a s THR 98 Ca -0.08 0.37 -0.26 0.00 -1.18 0.00 0.00 61.69 60.53 1x5a s THR 98 Cb -0.14 -3.38 -0.09 0.00 1.34 0.00 0.00 72.50 70.24 1x5a s THR 98 CO 0.04 -0.50 1.34 -0.55 -0.54 0.00 0.00 174.62 174.42 1x5a s SER 99 N -4.40 6.25 0.49 3.99 0.15 -1.05 -4.15 113.70 114.97 1x5a s SER 99 Ca 0.59 2.74 -0.22 0.00 0.70 0.00 0.00 55.95 59.76 1x5a s SER 99 Cb -0.11 -2.64 -0.07 0.00 -1.71 0.00 0.00 66.02 61.49 1x5a s SER 99 CO 0.51 -0.90 1.15 -2.16 1.20 0.00 0.00 173.24 173.04 1x5a s PRO 100 N -2.25 3.63 0.16 5.44 0.04 -1.26 -2.59 135.00 138.18 1x5a s PRO 100 Ca 0.57 1.72 0.20 0.00 0.04 0.00 0.00 61.00 63.53 1x5a s PRO 100 Cb -0.40 -2.27 0.84 0.00 0.04 0.00 0.00 34.50 32.71 1x5a s PRO 100 CO 0.52 -0.65 1.62 -0.35 0.04 0.00 0.00 177.00 178.18 1x5a n PRO 101 N -0.75 0.12 -0.10 0.56 -0.04 -1.26 -3.60 135.00 129.92 1x5a n PRO 101 Ca 0.09 0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 63.71 1x5a n PRO 101 Cb 0.49 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 1x5a n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5a n SER 102 N -1.97 1.72 -4.66 3.54 2.88 -1.26 -4.97 113.62 108.90 1x5a n SER 102 Ca 0.03 0.29 -0.55 0.00 -1.33 0.00 0.00 58.87 57.31 1x5a n SER 102 Cb 0.20 -0.69 -0.07 0.00 -0.75 0.00 0.00 64.21 62.90 1x5a n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 103 N 1.59 0.71 0.14 0.46 0.00 -1.24 -4.88 105.19 101.98 1x5a n GLY 103 Ca -0.36 0.83 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 1x5a n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5a h PRO 104 N 6.15 0.40 -3.75 1.61 0.13 -1.93 -3.44 132.00 131.16 1x5a h PRO 104 Ca -0.47 -0.21 -0.21 0.00 -0.87 0.00 0.00 66.00 64.24 1x5a h PRO 104 Cb 1.32 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 32.20 1x5a h PRO 104 CO 0.88 0.77 -0.68 -1.12 -0.23 0.00 0.00 178.00 177.62 1x5a s SER 105 N -6.17 0.05 -0.02 1.44 0.01 -1.26 -5.06 113.70 102.68 1x5a s SER 105 Ca -0.14 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.76 1x5a s SER 105 Cb 0.06 0.07 -0.20 0.00 0.21 0.00 0.00 66.02 66.15 1x5a s SER 105 CO 0.76 -0.10 1.24 0.77 0.41 0.00 0.00 173.24 176.32 1x5a h SER 106 N 5.65 0.03 0.00 2.44 4.64 -1.93 -3.52 113.55 120.86 1x5a h SER 106 Ca -0.27 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 1x5a h SER 106 Cb 1.21 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1x5a h SER 106 CO 0.47 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.59