#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 3.89 -3.78 1.61 3.41 -1.26 -5.00 113.62 112.49 1x5a n SER 2 Ca 0.00 -0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.31 1x5a n SER 2 Cb 0.00 0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1x5a n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x5a n SER 3 N -2.25 -0.71 -2.98 4.04 3.41 -1.26 -4.81 113.62 109.07 1x5a n SER 3 Ca -0.07 -0.93 -0.13 0.00 -0.26 0.00 0.00 58.87 57.47 1x5a n SER 3 Cb 0.63 -1.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 1x5a n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5a n GLY 4 N -1.31 0.65 1.55 5.00 0.00 -1.26 -4.99 105.19 104.84 1x5a n GLY 4 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1x5a n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5a n SER 5 N 2.50 0.35 -3.56 1.61 7.64 -1.26 -5.08 113.62 115.82 1x5a n SER 5 Ca 0.20 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.93 1x5a n SER 5 Cb 0.55 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1x5a n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5a n SER 6 N -3.36 -0.58 -3.15 6.43 3.41 -1.26 -4.95 113.62 110.15 1x5a n SER 6 Ca 0.00 0.91 0.05 0.00 -0.26 0.00 0.00 58.87 59.57 1x5a n SER 6 Cb 0.04 -0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 63.23 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 -0.46 -0.83 -0.97 5.00 0.00 -1.26 -5.08 107.32 103.71 1x5a s GLY 7 Ca 0.60 2.05 -0.25 0.00 0.00 0.00 0.00 44.72 47.13 1x5a s GLY 7 CO 0.45 3.81 2.09 0.00 0.00 0.00 0.00 173.10 179.45 1x5a s ALA 8 N 2.91 1.25 -0.24 3.20 0.00 -1.26 -4.85 121.76 122.78 1x5a s ALA 8 Ca 0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 1x5a s ALA 8 Cb -0.08 -4.61 0.08 0.00 0.00 0.00 0.00 23.12 18.50 1x5a s ALA 8 CO -0.20 -5.54 0.08 -1.21 0.00 0.00 0.00 175.76 168.90 1x5a s GLU 9 N 7.59 0.45 0.55 0.00 2.02 -1.26 -5.13 118.70 122.92 1x5a s GLU 9 Ca 0.77 -0.55 -0.21 0.00 0.02 0.00 0.00 54.97 55.01 1x5a s GLU 9 Cb -0.07 -1.79 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 1x5a s GLU 9 CO 0.08 -0.83 1.19 0.43 0.02 0.00 0.00 175.26 176.15 1x5a n SER 10 N 5.09 1.90 -3.87 -0.19 7.64 -1.26 -4.75 113.62 118.18 1x5a n SER 10 Ca -0.06 0.93 -0.19 0.00 1.01 0.00 0.00 58.87 60.56 1x5a n SER 10 Cb 0.45 -1.49 -0.01 0.00 -1.01 0.00 0.00 64.21 62.15 1x5a n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5a n LEU 11 N -0.76 0.00 -0.27 -3.43 -0.00 -1.26 -5.00 117.00 106.27 1x5a n LEU 11 Ca 0.12 -1.98 -0.02 0.00 -0.00 0.00 0.00 56.01 54.13 1x5a n LEU 11 Cb 0.45 0.05 0.01 0.00 -0.00 0.00 0.00 43.42 43.93 1x5a n LEU 11 CO 0.52 -0.43 0.39 -0.24 -0.00 0.00 0.00 177.39 177.63 1x5a n SER 12 N -1.71 -0.49 0.00 1.45 2.88 -1.26 -4.52 113.62 109.98 1x5a n SER 12 Ca -0.05 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1x5a n SER 12 Cb 0.42 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1x5a n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5a n GLY 13 N -1.30 -1.83 3.08 0.46 0.00 -1.26 -5.17 105.19 99.17 1x5a n GLY 13 Ca 0.06 0.83 -0.12 0.00 0.00 0.00 0.00 46.02 46.79 1x5a n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5a s LEU 14 N 0.00 0.59 -0.12 0.99 1.43 -1.26 -4.74 118.68 115.57 1x5a s LEU 14 Ca 0.00 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1x5a s LEU 14 Cb 0.00 0.78 0.06 0.00 0.03 0.00 0.00 46.19 47.06 1x5a s LEU 14 CO 0.00 -0.14 0.15 -0.55 0.23 0.00 0.00 176.35 176.03 1x5a s SER 15 N 0.93 1.28 -0.60 2.29 0.15 -1.26 -4.85 113.70 111.64 1x5a s SER 15 Ca -0.07 -0.03 -0.27 0.00 0.70 0.00 0.00 55.95 56.29 1x5a s SER 15 Cb -0.08 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1x5a s SER 15 CO -0.06 -0.29 1.55 -0.76 1.20 0.00 0.00 173.24 174.88 1x5a s LEU 16 N 2.25 3.32 -0.16 3.45 1.43 -1.26 -4.04 118.68 123.67 1x5a s LEU 16 Ca 0.04 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1x5a s LEU 16 Cb -0.14 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 1x5a s LEU 16 CO -0.08 -1.95 0.23 -0.75 0.23 0.00 0.00 176.35 174.04 1x5a s LYS 17 N 6.04 4.13 -0.49 1.70 2.47 -1.14 -4.91 119.74 127.55 1x5a s LYS 17 Ca 0.55 -0.02 -0.27 0.00 -1.56 0.00 0.00 55.97 54.67 1x5a s LYS 17 Cb -0.11 -3.39 0.03 0.00 -1.46 0.00 0.00 37.83 32.90 1x5a s LYS 17 CO 0.22 0.34 1.04 -1.17 0.16 0.00 0.00 175.35 175.93 1x5a s LEU 18 N 0.20 3.82 -0.25 5.43 2.96 -1.26 -2.55 118.68 127.02 1x5a s LEU 18 Ca 0.14 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 1x5a s LEU 18 Cb -0.12 -3.29 -0.16 0.00 0.50 0.00 0.00 46.19 43.12 1x5a s LEU 18 CO 0.02 -1.19 -0.18 1.33 -1.32 0.00 0.00 176.35 175.01 1x5a n VAL 19 N 6.59 1.54 -3.69 1.68 0.24 -0.80 -4.85 118.33 119.05 1x5a n VAL 19 Ca 0.08 -0.45 -0.39 0.00 -2.04 0.00 0.00 64.34 61.55 1x5a n VAL 19 Cb 0.49 -1.71 -0.11 0.00 -1.47 0.00 0.00 33.84 31.04 1x5a n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x5a s LYS 20 N -2.50 2.47 -1.12 7.34 2.47 -1.20 -4.96 119.74 122.23 1x5a s LYS 20 Ca -0.35 -1.48 -0.09 0.00 -1.56 0.00 0.00 55.97 52.49 1x5a s LYS 20 Cb 0.11 -3.64 0.28 0.00 -1.46 0.00 0.00 37.83 33.12 1x5a s LYS 20 CO 0.57 -0.91 1.16 1.17 0.16 0.00 0.00 175.35 177.49 1x5a n LYS 21 N 4.81 3.61 -4.23 4.03 0.00 -1.26 -2.97 118.16 122.15 1x5a n LYS 21 Ca -0.09 -4.45 -0.24 0.00 0.00 0.00 0.00 58.31 53.53 1x5a n LYS 21 Cb 0.43 -2.56 -0.07 0.00 0.00 0.00 0.00 35.03 32.83 1x5a n LYS 21 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1x5a s GLU 22 N -1.33 2.44 0.30 1.64 0.41 -0.65 -4.32 118.70 117.19 1x5a s GLU 22 Ca 0.31 -1.23 0.09 0.00 -0.41 0.00 0.00 54.97 53.74 1x5a s GLU 22 Cb -0.09 -2.31 0.48 0.00 -1.78 0.00 0.00 34.13 30.43 1x5a s GLU 22 CO -0.06 0.41 1.70 -1.00 -0.49 0.00 0.00 175.26 175.81 1x5a h PRO 23 N 2.18 0.11 0.00 0.39 0.13 -1.89 -3.20 132.00 129.72 1x5a h PRO 23 Ca -0.46 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1x5a h PRO 23 Cb 1.23 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1x5a h PRO 23 CO 0.59 0.57 -0.53 0.54 -0.23 0.00 0.00 178.00 178.94 1x5a n ARG 24 N -3.97 1.16 -3.58 0.86 1.74 -1.26 -2.37 116.66 109.24 1x5a n ARG 24 Ca -0.02 -2.84 -0.11 0.00 -0.77 0.00 0.00 57.85 54.11 1x5a n ARG 24 Cb 0.51 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.40 0.64 -0.24 5.56 0.74 -1.22 -2.69 119.66 120.06 1x5a s GLN 25 Ca 0.35 0.25 -0.14 0.00 0.05 0.00 0.00 55.36 55.86 1x5a s GLN 25 Cb 0.34 0.30 0.07 0.00 1.10 0.00 0.00 33.01 34.83 1x5a s GLN 25 CO -0.07 -0.18 0.59 -0.51 -0.55 0.00 0.00 175.29 174.57 1x5a s LEU 26 N -0.88 -0.64 -0.03 3.68 1.43 0.24 -1.63 118.68 120.84 1x5a s LEU 26 Ca -0.02 1.30 0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1x5a s LEU 26 Cb -0.01 2.02 -0.02 0.00 0.03 0.00 0.00 46.19 48.21 1x5a s LEU 26 CO 0.01 -0.22 -0.24 -0.70 0.23 0.00 0.00 176.35 175.43 1x5a s GLU 27 N 1.53 2.16 0.25 1.70 2.12 -1.16 -0.81 118.70 124.50 1x5a s GLU 27 Ca -0.10 -0.87 0.10 0.00 0.36 0.00 0.00 54.97 54.47 1x5a s GLU 27 Cb -0.06 -1.98 -0.05 0.00 0.26 0.00 0.00 34.13 32.30 1x5a s GLU 27 CO -0.17 0.46 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.32 1x5a s LEU 28 N -0.40 2.58 -0.15 2.70 1.43 -1.04 -1.90 118.68 121.89 1x5a s LEU 28 Ca 0.04 -1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 1x5a s LEU 28 Cb -0.11 -0.95 0.07 0.00 0.03 0.00 0.00 46.19 45.23 1x5a s LEU 28 CO 0.01 -0.03 0.34 0.28 0.23 0.00 0.00 176.35 177.17 1x5a s THR 29 N -2.66 -0.32 -0.29 5.49 -1.32 -1.06 -2.99 115.64 112.50 1x5a s THR 29 Ca 0.27 0.18 0.01 0.00 -1.21 0.00 0.00 61.69 60.94 1x5a s THR 29 Cb -0.04 -0.53 0.08 0.00 -1.51 0.00 0.00 72.50 70.51 1x5a s THR 29 CO 0.12 0.08 0.03 -1.66 -2.21 0.00 0.00 174.62 170.97 1x5a s TRP 30 N 2.03 2.52 0.29 9.09 -2.14 -0.92 -2.86 118.94 126.95 1x5a s TRP 30 Ca -0.04 -2.08 0.06 0.00 2.66 0.00 0.00 56.10 56.70 1x5a s TRP 30 Cb -0.11 -1.99 -0.06 0.00 -3.10 0.00 0.00 33.47 28.21 1x5a s TRP 30 CO -0.11 -0.85 -0.03 0.00 -2.66 0.00 0.00 176.95 173.30 1x5a s ALA 31 N 1.34 2.33 -0.11 2.67 0.00 -1.26 -4.81 121.76 121.92 1x5a s ALA 31 Ca 0.04 -1.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.01 1x5a s ALA 31 Cb -0.18 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1x5a s ALA 31 CO -0.13 -0.14 0.25 0.20 0.00 0.00 0.00 175.76 175.94 1x5a s GLY 32 N -3.45 -0.13 -0.33 0.00 0.00 -1.26 -4.79 107.32 97.36 1x5a s GLY 32 Ca 0.31 0.98 -0.32 0.00 0.00 0.00 0.00 44.72 45.68 1x5a s GLY 32 CO 0.13 1.43 2.22 -1.14 0.00 0.00 0.00 173.10 175.74 1x5a n SER 33 N 4.51 2.45 -4.09 1.64 3.41 -1.26 -4.94 113.62 115.34 1x5a n SER 33 Ca -0.21 0.29 -0.26 0.00 -0.26 0.00 0.00 58.87 58.44 1x5a n SER 33 Cb 0.52 -1.36 -0.16 0.00 -0.26 0.00 0.00 64.21 62.94 1x5a n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5a s ARG 34 N 6.44 1.83 0.07 4.33 1.70 -1.26 -5.04 118.95 127.01 1x5a s ARG 34 Ca 1.07 -0.54 -0.17 0.00 -0.47 0.00 0.00 55.73 55.61 1x5a s ARG 34 Cb -0.67 -1.53 -0.11 0.00 -0.57 0.00 0.00 34.95 32.07 1x5a s ARG 34 CO 0.43 0.15 1.39 -1.00 -1.08 0.00 0.00 175.30 175.19 1x5a h PRO 35 N 6.56 0.54 -5.83 3.89 0.13 -2.10 -3.45 132.00 131.75 1x5a h PRO 35 Ca -0.31 -0.28 -0.50 0.00 -0.87 0.00 0.00 66.00 64.04 1x5a h PRO 35 Cb 1.19 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1x5a h PRO 35 CO 0.48 0.87 -0.77 0.50 -0.23 0.00 0.00 178.00 178.84 1x5a s ARG 36 N -4.34 1.25 0.25 0.86 6.06 -1.26 -5.13 118.95 116.63 1x5a s ARG 36 Ca -0.13 -1.41 -0.30 0.00 -2.50 0.00 0.00 55.73 51.40 1x5a s ARG 36 Cb 0.07 -1.25 -0.09 0.00 0.06 0.00 0.00 34.95 33.74 1x5a s ARG 36 CO 0.79 0.25 0.95 1.21 -2.50 0.00 0.00 175.30 176.00 1x5a s ASN 37 N -2.71 7.60 -0.11 -2.12 3.84 -1.26 -5.00 114.94 115.18 1x5a s ASN 37 Ca 0.16 1.95 -0.29 0.00 0.21 0.00 0.00 52.86 54.89 1x5a s ASN 37 Cb -0.05 -2.61 -0.04 0.00 -0.55 0.00 0.00 41.25 38.00 1x5a s ASN 37 CO 0.06 0.12 1.53 -2.16 -2.79 0.00 0.00 177.10 173.87 1x5a s PRO 38 N -1.28 4.14 0.13 0.43 0.04 -1.26 -4.94 135.00 132.26 1x5a s PRO 38 Ca 0.42 1.95 -0.35 0.00 0.04 0.00 0.00 61.00 63.07 1x5a s PRO 38 Cb -0.26 -3.93 -0.15 0.00 0.04 0.00 0.00 34.50 30.20 1x5a s PRO 38 CO 0.32 -0.88 1.47 0.41 0.04 0.00 0.00 177.00 178.36 1x5a n GLY 39 N 4.06 0.83 0.14 0.56 0.00 -1.26 -4.59 105.19 104.94 1x5a n GLY 39 Ca 0.16 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 2.99 -1.64 3.69 -0.02 0.00 -1.26 -4.93 105.19 104.01 1x5a n GLY 40 Ca 0.17 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.17 3.56 -4.86 1.61 5.15 -1.26 -4.99 115.26 114.30 1x5a n ASN 41 Ca 0.00 1.04 -0.24 0.00 -0.60 0.00 0.00 54.58 54.78 1x5a n ASN 41 Cb 0.00 -1.48 -0.03 0.00 -0.53 0.00 0.00 39.78 37.74 1x5a n ASN 41 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x5a s LEU 42 N 1.71 2.98 0.33 1.20 1.43 -1.26 -5.08 118.68 120.00 1x5a s LEU 42 Ca 0.80 -1.08 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1x5a s LEU 42 Cb -0.59 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1x5a s LEU 42 CO 0.38 -0.85 0.21 -0.94 0.23 0.00 0.00 176.35 175.38 1x5a s SER 43 N -4.15 1.79 -0.01 2.29 1.04 -1.26 -4.98 113.70 108.42 1x5a s SER 43 Ca 0.39 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1x5a s SER 43 Cb -0.01 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.63 1x5a s SER 43 CO 0.23 -0.99 0.00 -0.31 0.98 0.00 0.00 173.24 173.16 1x5a s TYR 44 N -3.48 0.14 -0.27 5.02 2.02 -0.40 -1.87 117.35 118.52 1x5a s TYR 44 Ca 0.36 0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.97 1x5a s TYR 44 Cb 0.03 -0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.34 1x5a s TYR 44 CO 0.22 -0.06 0.19 -2.00 -1.57 0.00 0.00 175.55 172.33 1x5a s GLU 45 N 0.54 3.98 -0.13 -0.62 2.56 0.19 -0.09 118.70 125.13 1x5a s GLU 45 Ca -0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 54.97 54.57 1x5a s GLU 45 Cb -0.07 -3.64 -0.04 0.00 2.00 0.00 0.00 34.13 32.38 1x5a s GLU 45 CO -0.01 -0.13 0.05 -1.17 -0.56 0.00 0.00 175.26 173.44 1x5a s LEU 46 N 1.63 3.84 -0.17 2.70 1.98 -0.74 -1.66 118.68 126.26 1x5a s LEU 46 Ca 0.07 0.18 -0.02 0.00 -2.89 0.00 0.00 54.13 51.48 1x5a s LEU 46 Cb -0.15 -1.93 0.05 0.00 0.66 0.00 0.00 46.19 44.82 1x5a s LEU 46 CO 0.10 0.30 0.02 -2.28 -1.89 0.00 0.00 176.35 172.59 1x5a s HIS 47 N -0.40 1.09 -0.14 5.38 5.65 -0.82 -0.17 115.29 125.88 1x5a s HIS 47 Ca 0.09 -0.79 -0.03 0.00 0.25 0.00 0.00 55.06 54.58 1x5a s HIS 47 Cb -0.12 -1.04 -0.03 0.00 -1.18 0.00 0.00 32.58 30.21 1x5a s HIS 47 CO 0.02 -0.56 -0.04 0.08 -0.65 0.00 0.00 174.74 173.59 1x5a s VAL 48 N 1.84 3.89 0.16 0.89 1.01 -0.48 -1.46 120.40 126.25 1x5a s VAL 48 Ca 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1x5a s VAL 48 Cb -0.16 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1x5a s VAL 48 CO -0.07 0.51 -0.18 -0.76 0.00 0.00 0.00 175.10 174.60 1x5a s LEU 49 N 0.14 2.44 0.31 3.92 1.02 0.85 -0.78 118.68 126.58 1x5a s LEU 49 Ca -0.01 -0.87 0.04 0.00 0.02 0.00 0.00 54.13 53.31 1x5a s LEU 49 Cb -0.14 -0.80 -0.03 0.00 0.02 0.00 0.00 46.19 45.25 1x5a s LEU 49 CO 0.03 -0.05 0.29 0.21 0.02 0.00 0.00 176.35 176.85 1x5a s ASN 50 N -2.69 1.22 0.15 2.29 2.47 0.43 -1.17 114.94 117.65 1x5a s ASN 50 Ca 0.16 -1.62 -0.30 0.00 0.42 0.00 0.00 52.86 51.52 1x5a s ASN 50 Cb -0.05 0.54 -0.04 0.00 -1.45 0.00 0.00 41.25 40.25 1x5a s ASN 50 CO 0.06 -1.06 1.55 1.56 -3.72 0.00 0.00 177.10 175.49 1x5a h GLN 51 N 2.23 -0.25 -0.00 0.43 4.20 -2.02 -3.17 115.11 116.52 1x5a h GLN 51 Ca -0.28 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 1x5a h GLN 51 Cb 1.24 0.06 -0.22 0.00 0.30 0.00 0.00 27.48 28.85 1x5a h GLN 51 CO 0.40 -0.17 -0.81 -3.47 -0.67 0.00 0.00 178.83 174.12 1x5a n ASP 52 N -5.37 1.31 -3.56 1.46 2.03 -1.26 -5.01 116.55 106.15 1x5a n ASP 52 Ca -0.00 -2.83 -0.14 0.00 0.52 0.00 0.00 54.79 52.33 1x5a n ASP 52 Cb 0.33 -0.40 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x5a s GLU 53 N -1.41 0.19 -0.13 -0.67 2.02 -1.20 -5.13 118.70 112.37 1x5a s GLU 53 Ca 0.36 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.90 1x5a s GLU 53 Cb 0.38 -0.47 0.02 0.00 0.10 0.00 0.00 34.13 34.16 1x5a s GLU 53 CO -0.13 -0.45 -0.12 -2.00 0.02 0.00 0.00 175.26 172.58 1x5a s GLU 54 N 2.41 1.96 -0.04 1.61 2.12 -1.26 0.16 118.70 125.66 1x5a s GLU 54 Ca 0.05 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.91 1x5a s GLU 54 Cb -0.14 -1.85 0.02 0.00 0.26 0.00 0.00 34.13 32.42 1x5a s GLU 54 CO -0.11 -0.21 0.11 1.67 -0.54 0.00 0.00 175.26 176.18 1x5a s TRP 55 N 1.47 -0.12 0.19 5.30 -2.14 0.04 -5.01 118.94 118.68 1x5a s TRP 55 Ca 0.03 0.31 0.10 0.00 2.66 0.00 0.00 56.10 59.19 1x5a s TRP 55 Cb -0.13 0.01 -0.04 0.00 -3.10 0.00 0.00 33.47 30.20 1x5a s TRP 55 CO -0.08 -0.08 -0.13 -3.38 -2.66 0.00 0.00 176.95 170.62 1x5a s HIS 56 N 0.30 2.54 -0.26 1.66 -3.43 -1.26 -1.38 115.29 113.46 1x5a s HIS 56 Ca -0.02 -0.26 -0.11 0.00 -0.80 0.00 0.00 55.06 53.87 1x5a s HIS 56 Cb -0.03 -1.24 0.10 0.00 -1.43 0.00 0.00 32.58 29.98 1x5a s HIS 56 CO -0.01 0.52 0.60 1.14 -2.00 0.00 0.00 174.74 174.99 1x5a s GLN 57 N -2.85 0.56 -0.02 -0.38 -2.07 0.76 -4.97 119.66 110.69 1x5a s GLN 57 Ca 0.24 1.24 -0.30 0.00 -1.82 0.00 0.00 55.36 54.72 1x5a s GLN 57 Cb -0.08 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 1x5a s GLN 57 CO 0.14 -0.19 1.05 1.41 -1.32 0.00 0.00 175.29 176.38 1x5a s MET 58 N 2.26 4.48 0.05 9.60 -2.45 -1.26 -1.78 119.30 130.20 1x5a s MET 58 Ca -0.07 1.50 0.08 0.00 -1.25 0.00 0.00 55.69 55.95 1x5a s MET 58 Cb -0.09 -3.47 -0.03 0.00 1.25 0.00 0.00 34.83 32.49 1x5a s MET 58 CO -0.18 -0.19 -0.20 0.14 1.05 0.00 0.00 175.02 175.64 1x5a s VAL 59 N 1.39 2.64 0.04 10.11 -7.23 0.87 -4.89 120.40 123.33 1x5a s VAL 59 Ca 0.53 -1.26 0.10 0.00 -1.81 0.00 0.00 61.98 59.53 1x5a s VAL 59 Cb -0.22 -2.11 -0.22 0.00 0.56 0.00 0.00 36.38 34.39 1x5a s VAL 59 CO 0.25 0.32 0.98 -0.07 -0.31 0.00 0.00 175.10 176.27 1x5a h LEU 60 N 4.52 0.00 -9.95 1.32 3.38 -1.94 -1.06 115.31 111.58 1x5a h LEU 60 Ca -0.48 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 1x5a h LEU 60 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1x5a h LEU 60 CO 0.46 0.99 -0.37 -1.83 0.09 0.00 0.00 178.44 177.79 1x5a s GLU 61 N -2.66 3.55 0.00 1.13 1.03 -1.26 -4.58 118.70 115.92 1x5a s GLU 61 Ca -0.02 -0.22 0.11 0.00 0.03 0.00 0.00 54.97 54.87 1x5a s GLU 61 Cb 0.09 -2.91 0.68 0.00 -0.80 0.00 0.00 34.13 31.20 1x5a s GLU 61 CO 0.82 0.50 1.12 -0.35 -1.33 0.00 0.00 175.26 176.02 1x5a n PRO 62 N 0.07 0.49 -4.92 -4.83 -0.04 -1.26 -4.63 135.00 119.87 1x5a n PRO 62 Ca -0.03 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.15 1x5a n PRO 62 Cb 0.52 -1.37 -0.16 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.98 -0.01 0.54 1.70 -1.26 -2.16 118.95 117.74 1x5a s ARG 63 Ca 0.17 -0.67 0.05 0.00 -0.47 0.00 0.00 55.73 54.81 1x5a s ARG 63 Cb 0.08 -1.69 -0.01 0.00 -0.57 0.00 0.00 34.95 32.75 1x5a s ARG 63 CO 0.13 0.26 -0.16 0.54 -1.08 0.00 0.00 175.30 174.99 1x5a s VAL 64 N 0.04 1.26 -0.30 4.99 0.11 -1.16 -4.98 120.40 120.36 1x5a s VAL 64 Ca -0.05 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.26 1x5a s VAL 64 Cb -0.12 -1.05 0.03 0.00 -1.53 0.00 0.00 36.38 33.71 1x5a s VAL 64 CO 0.03 0.35 0.04 -0.22 -3.33 0.00 0.00 175.10 171.97 1x5a s LEU 65 N -0.40 3.87 -0.30 2.54 1.98 -1.26 -2.49 118.68 122.63 1x5a s LEU 65 Ca 0.06 -1.00 -0.10 0.00 -2.89 0.00 0.00 54.13 50.20 1x5a s LEU 65 Cb -0.06 -1.79 -0.02 0.00 0.66 0.00 0.00 46.19 44.97 1x5a s LEU 65 CO -0.01 -0.24 0.16 -0.76 -1.89 0.00 0.00 176.35 173.62 1x5a s LEU 66 N 1.38 4.02 0.49 -0.68 1.43 0.01 -4.99 118.68 120.35 1x5a s LEU 66 Ca -0.01 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1x5a s LEU 66 Cb -0.18 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1x5a s LEU 66 CO 0.00 -0.13 0.09 0.42 0.23 0.00 0.00 176.35 176.96 1x5a s THR 67 N 1.67 1.47 -1.16 5.49 -4.23 -1.26 -0.59 115.64 117.03 1x5a s THR 67 Ca 0.06 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 1x5a s THR 67 Cb -0.16 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1x5a s THR 67 CO 0.08 0.00 1.01 0.29 -0.54 0.00 0.00 174.62 175.46 1x5a n LYS 68 N -1.31 -6.79 -3.79 3.99 5.02 -1.10 -4.93 118.16 109.26 1x5a n LYS 68 Ca -0.12 0.72 -0.20 0.00 -2.02 0.00 0.00 58.31 56.68 1x5a n LYS 68 Cb 0.66 -5.44 -0.02 0.00 -0.02 0.00 0.00 35.03 30.22 1x5a n LYS 68 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x5a s LEU 69 N -6.39 4.06 0.05 -0.35 1.43 -1.23 -5.04 118.68 111.21 1x5a s LEU 69 Ca 0.45 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.29 1x5a s LEU 69 Cb -0.20 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 1x5a s LEU 69 CO 0.63 -0.23 0.45 -1.10 0.23 0.00 0.00 176.35 176.33 1x5a s GLN 70 N -4.04 3.92 0.43 1.70 1.11 -1.25 -4.11 119.66 117.41 1x5a s GLN 70 Ca 0.39 0.40 -0.24 0.00 0.01 0.00 0.00 55.36 55.91 1x5a s GLN 70 Cb -0.09 -3.12 -0.08 0.00 -1.01 0.00 0.00 33.01 28.72 1x5a s GLN 70 CO 0.29 0.62 1.18 -1.25 0.01 0.00 0.00 175.29 176.14 1x5a s PRO 71 N -1.44 3.90 -1.26 2.91 0.04 -1.00 -3.64 135.00 134.51 1x5a s PRO 71 Ca 0.29 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 63.14 1x5a s PRO 71 Cb -0.16 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 1x5a s PRO 71 CO 0.16 -0.45 0.75 -3.47 0.04 0.00 0.00 177.00 174.03 1x5a n ASP 72 N -0.20 -1.96 -3.83 6.66 2.03 -0.88 -4.77 116.55 113.60 1x5a n ASP 72 Ca 0.06 -0.81 -0.18 0.00 0.52 0.00 0.00 54.79 54.38 1x5a n ASP 72 Cb 0.47 -4.19 -0.16 0.00 -0.72 0.00 0.00 41.12 36.52 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 -3.60 0.24 0.14 5.18 2.01 -1.24 -4.95 115.64 113.43 1x5a s THR 73 Ca 0.07 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 1x5a s THR 73 Cb -0.02 -0.33 -0.07 0.00 0.01 0.00 0.00 72.50 72.09 1x5a s THR 73 CO 0.80 0.16 1.19 -0.89 -0.69 0.00 0.00 174.62 175.19 1x5a s THR 74 N 0.99 3.75 -0.09 -0.82 2.01 -1.26 -3.08 115.64 117.15 1x5a s THR 74 Ca -0.10 1.40 -0.00 0.00 0.31 0.00 0.00 61.69 63.29 1x5a s THR 74 Cb -0.14 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1x5a s THR 74 CO -0.01 0.19 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.74 1x5a s TYR 75 N 0.30 1.18 0.02 4.92 2.02 -0.57 -4.56 117.35 120.65 1x5a s TYR 75 Ca 0.54 -0.51 -0.17 0.00 -0.37 0.00 0.00 57.07 56.56 1x5a s TYR 75 Cb -0.31 -1.04 -0.06 0.00 -0.40 0.00 0.00 41.96 40.15 1x5a s TYR 75 CO 0.34 -0.41 0.50 0.42 -1.57 0.00 0.00 175.55 174.82 1x5a s ILE 76 N 1.63 4.91 -0.01 2.71 -1.09 -0.32 -2.90 121.20 126.14 1x5a s ILE 76 Ca 0.02 1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 59.45 1x5a s ILE 76 Cb -0.13 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 1x5a s ILE 76 CO -0.06 0.53 0.07 -0.69 -1.23 0.00 0.00 174.94 173.56 1x5a s VAL 77 N -0.84 0.04 -0.17 2.92 1.01 -1.24 -0.10 120.40 122.02 1x5a s VAL 77 Ca 0.27 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1x5a s VAL 77 Cb -0.18 -0.21 0.08 0.00 0.00 0.00 0.00 36.38 36.07 1x5a s VAL 77 CO 0.16 -0.18 0.32 0.00 0.00 0.00 0.00 175.10 175.40 1x5a s ARG 78 N -0.57 0.23 0.01 2.72 1.70 -0.54 -3.41 118.95 119.10 1x5a s ARG 78 Ca -0.06 0.78 0.02 0.00 -0.47 0.00 0.00 55.73 55.99 1x5a s ARG 78 Cb -0.04 -0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.25 1x5a s ARG 78 CO 0.00 -0.34 -0.00 0.54 -1.08 0.00 0.00 175.30 174.41 1x5a s VAL 79 N 2.49 4.10 -0.00 4.99 0.11 -1.26 -1.94 120.40 128.89 1x5a s VAL 79 Ca 0.02 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1x5a s VAL 79 Cb -0.13 -2.84 -0.00 0.00 -1.53 0.00 0.00 36.38 31.88 1x5a s VAL 79 CO -0.11 0.34 0.01 0.00 -3.33 0.00 0.00 175.10 172.01 1x5a s ARG 80 N -1.66 0.12 -0.77 1.54 1.70 -0.66 -3.41 118.95 115.80 1x5a s ARG 80 Ca 0.20 -0.15 -0.26 0.00 -0.47 0.00 0.00 55.73 55.06 1x5a s ARG 80 Cb -0.11 0.04 0.02 0.00 -0.57 0.00 0.00 34.95 34.32 1x5a s ARG 80 CO 0.11 -0.02 1.50 0.99 -1.08 0.00 0.00 175.30 176.80 1x5a s THR 81 N -0.41 3.64 0.35 4.99 2.01 -1.26 -0.64 115.64 124.32 1x5a s THR 81 Ca -0.05 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 1x5a s THR 81 Cb -0.03 -4.64 -0.11 0.00 0.01 0.00 0.00 72.50 67.74 1x5a s THR 81 CO -0.00 -1.57 1.46 -0.76 -0.69 0.00 0.00 174.62 173.06 1x5a s LEU 82 N 6.75 4.35 0.07 4.42 1.43 -0.78 -3.33 118.68 131.59 1x5a s LEU 82 Ca 0.47 2.94 0.03 0.00 -1.03 0.00 0.00 54.13 56.54 1x5a s LEU 82 Cb -0.08 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1x5a s LEU 82 CO 0.11 -0.80 -0.10 0.42 0.23 0.00 0.00 176.35 176.21 1x5a s THR 83 N -0.90 0.76 0.20 5.49 -4.23 -1.26 -3.97 115.64 111.73 1x5a s THR 83 Ca 0.54 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1x5a s THR 83 Cb -0.45 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 1x5a s THR 83 CO 0.58 -0.44 1.56 1.55 -0.54 0.00 0.00 174.62 177.33 1x5a h PRO 84 N 4.10 0.62 -3.44 3.99 0.13 -1.98 -3.37 132.00 132.05 1x5a h PRO 84 Ca -0.37 -0.33 -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 0.93 -0.70 -0.51 -0.23 0.00 0.00 178.00 177.94 1x5a s LEU 85 N -8.56 3.50 0.00 1.56 1.43 -1.26 -4.91 118.68 110.45 1x5a s LEU 85 Ca -0.08 -2.57 0.00 0.00 -1.03 0.00 0.00 54.13 50.45 1x5a s LEU 85 Cb 0.12 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 45.03 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 -1.27 3.77 -3.19 0.00 -1.26 -5.04 105.19 101.85 1x5a n GLY 86 Ca 0.05 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.60 3.53 0.78 1.61 0.04 -1.26 -4.70 135.00 134.39 1x5a s PRO 87 Ca 0.00 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1x5a s PRO 87 Cb 0.00 -2.18 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1x5a s PRO 87 CO 0.00 -0.72 1.09 0.20 0.04 0.00 0.00 177.00 177.60 1x5a s GLY 88 N -1.59 1.66 0.40 0.56 0.00 -1.21 -4.94 107.32 102.20 1x5a s GLY 88 Ca 0.69 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 45.30 1x5a s GLY 88 CO 0.30 0.51 1.19 2.56 0.00 0.00 0.00 173.10 177.66 1x5a s PRO 89 N -4.96 4.04 0.45 2.90 0.04 -1.26 -4.78 135.00 131.45 1x5a s PRO 89 Ca 0.61 1.89 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 1x5a s PRO 89 Cb -0.16 -2.69 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 1x5a s PRO 89 CO 0.56 -0.34 1.34 -0.06 0.04 0.00 0.00 177.00 178.54 1x5a s PHE 90 N -1.39 2.59 0.75 0.56 0.08 -1.26 -4.81 117.98 114.50 1x5a s PHE 90 Ca 0.57 1.36 -0.14 0.00 0.12 0.00 0.00 56.93 58.84 1x5a s PHE 90 Cb -0.32 -3.76 0.05 0.00 -0.57 0.00 0.00 43.02 38.43 1x5a s PHE 90 CO 0.40 -2.49 1.17 -1.54 -0.10 0.00 0.00 175.22 172.66 1x5a s SER 91 N -0.76 4.21 0.20 1.36 1.04 -1.22 -4.96 113.70 113.57 1x5a s SER 91 Ca 0.62 2.22 -0.30 0.00 0.48 0.00 0.00 55.95 58.97 1x5a s SER 91 Cb -0.40 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.06 1x5a s SER 91 CO 0.50 -2.25 1.30 -2.16 0.98 0.00 0.00 173.24 171.61 1x5a s PRO 92 N -4.14 4.39 -0.46 4.02 0.04 -1.26 -4.82 135.00 132.78 1x5a s PRO 92 Ca 0.71 2.05 -0.43 0.00 0.04 0.00 0.00 61.00 63.37 1x5a s PRO 92 Cb -0.26 -3.19 -0.18 0.00 0.04 0.00 0.00 34.50 30.91 1x5a s PRO 92 CO 0.47 -0.24 1.49 -0.40 0.04 0.00 0.00 177.00 178.36 1x5a n ASP 93 N 2.57 1.08 -4.25 6.66 5.75 -1.26 -4.88 116.55 122.22 1x5a n ASP 93 Ca 0.06 1.06 -0.41 0.00 -0.01 0.00 0.00 54.79 55.48 1x5a n ASP 93 Cb 0.43 -0.80 -0.09 0.00 -1.03 0.00 0.00 41.12 39.63 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 2.91 3.37 -0.31 2.11 3.76 -1.22 -5.01 115.29 120.90 1x5a s HIS 94 Ca 0.97 -1.65 -0.29 0.00 -0.15 0.00 0.00 55.06 53.94 1x5a s HIS 94 Cb -1.37 -3.30 -0.02 0.00 1.11 0.00 0.00 32.58 29.00 1x5a s HIS 94 CO 0.74 -0.93 1.68 -1.21 -0.85 0.00 0.00 174.74 174.17 1x5a s GLU 95 N 1.42 3.50 0.17 1.40 2.02 -1.26 -3.61 118.70 122.34 1x5a s GLU 95 Ca 0.04 1.41 0.09 0.00 0.02 0.00 0.00 54.97 56.54 1x5a s GLU 95 Cb -0.25 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.81 1x5a s GLU 95 CO 0.01 -1.65 -0.14 -0.06 0.02 0.00 0.00 175.26 173.43 1x5a s PHE 96 N 6.18 2.55 -0.06 1.61 0.08 -1.14 -5.00 117.98 122.19 1x5a s PHE 96 Ca 0.74 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 57.55 1x5a s PHE 96 Cb -0.22 -1.27 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1x5a s PHE 96 CO 0.32 0.49 -0.07 0.50 -0.10 0.00 0.00 175.22 176.36 1x5a s ARG 97 N -2.67 1.18 0.43 0.44 3.52 -1.26 -1.51 118.95 119.08 1x5a s ARG 97 Ca 0.23 -0.21 -0.19 0.00 -0.13 0.00 0.00 55.73 55.43 1x5a s ARG 97 Cb -0.09 -1.11 -0.10 0.00 -1.56 0.00 0.00 34.95 32.09 1x5a s ARG 97 CO 0.13 -0.07 0.92 0.95 -0.81 0.00 0.00 175.30 176.42 1x5a s THR 98 N 0.96 4.48 0.41 4.11 -4.23 -1.18 -4.94 115.64 115.24 1x5a s THR 98 Ca -0.10 1.32 -0.24 0.00 -1.18 0.00 0.00 61.69 61.49 1x5a s THR 98 Cb -0.15 -3.63 -0.12 0.00 1.34 0.00 0.00 72.50 69.95 1x5a s THR 98 CO 0.00 -0.38 0.84 -0.24 -0.54 0.00 0.00 174.62 174.31 1x5a n SER 99 N -0.80 0.48 -4.77 3.99 2.88 -1.21 -3.40 113.62 110.79 1x5a n SER 99 Ca 0.06 1.00 -0.39 0.00 -1.33 0.00 0.00 58.87 58.21 1x5a n SER 99 Cb 0.54 -1.26 -0.02 0.00 -0.75 0.00 0.00 64.21 62.72 1x5a n SER 99 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1x5a s PRO 100 N -1.82 4.24 -0.02 -1.46 0.04 -1.26 -2.08 135.00 132.64 1x5a s PRO 100 Ca 0.63 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 63.38 1x5a s PRO 100 Cb -0.59 -2.89 -0.20 0.00 0.04 0.00 0.00 34.50 30.86 1x5a s PRO 100 CO 0.57 -0.20 1.24 -1.00 0.04 0.00 0.00 177.00 177.65 1x5a h PRO 101 N 3.07 -0.05 -4.17 0.56 0.13 -1.91 -3.42 132.00 126.20 1x5a h PRO 101 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 1x5a h PRO 101 Cb 1.23 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 1x5a h PRO 101 CO 0.64 0.42 -0.77 0.45 -0.23 0.00 0.00 178.00 178.52 1x5a s SER 102 N -5.63 3.98 -0.30 1.44 0.15 -1.26 -5.00 113.70 107.08 1x5a s SER 102 Ca -0.16 -1.42 -0.10 0.00 0.70 0.00 0.00 55.95 54.97 1x5a s SER 102 Cb 0.02 -1.14 0.22 0.00 -1.71 0.00 0.00 66.02 63.40 1x5a s SER 102 CO 0.65 -0.31 1.19 -0.83 1.20 0.00 0.00 173.24 175.14 1x5a s GLY 103 N 1.39 -2.09 0.00 9.45 0.00 -1.26 -5.00 107.32 109.81 1x5a s GLY 103 Ca 0.01 0.83 0.15 0.00 0.00 0.00 0.00 44.72 45.70 1x5a s GLY 103 CO -0.11 4.47 1.40 -1.55 0.00 0.00 0.00 173.10 177.30 1x5a n PRO 104 N 2.50 0.27 -0.06 2.90 -0.04 -1.26 -2.14 135.00 137.18 1x5a n PRO 104 Ca 0.10 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.65 1x5a n PRO 104 Cb 0.67 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 1x5a n PRO 104 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x5a h SER 105 N 0.00 0.00 -0.18 3.54 0.87 -2.04 -3.39 113.55 112.35 1x5a h SER 105 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1x5a h SER 105 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1x5a h SER 105 CO 0.00 0.62 -0.06 0.77 -0.53 0.00 0.00 176.83 177.63 1x5a h SER 106 N -0.97 0.36 -0.01 6.23 4.64 -1.98 -3.56 113.55 118.26 1x5a h SER 106 Ca 0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1x5a h SER 106 Cb 0.27 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1x5a h SER 106 CO 0.00 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.23