#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 1.65 -0.22 1.61 0.01 -1.26 -5.09 113.70 110.40 1x5a s SER 2 Ca 0.00 -1.36 -0.29 0.00 1.31 0.00 0.00 55.95 55.61 1x5a s SER 2 Cb 0.00 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 1x5a s SER 2 CO 0.00 -0.66 1.96 -0.55 0.41 0.00 0.00 173.24 174.40 1x5a s SER 3 N -3.37 5.85 0.00 2.44 0.15 -1.26 -3.26 113.70 114.26 1x5a s SER 3 Ca 0.36 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.78 1x5a s SER 3 Cb 0.08 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1x5a s SER 3 CO 0.14 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.52 1x5a n GLY 4 N 5.33 3.24 2.13 9.45 0.00 -1.26 -4.97 105.19 119.12 1x5a n GLY 4 Ca 0.25 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1x5a n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5a n SER 5 N 0.00 5.03 0.02 1.61 2.88 -1.20 -4.85 113.62 117.11 1x5a n SER 5 Ca 0.00 -3.75 -0.11 0.00 -1.33 0.00 0.00 58.87 53.68 1x5a n SER 5 Cb 0.00 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.02 1x5a n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5a h SER 6 N 2.25 -0.94 0.00 -3.46 0.87 -1.94 -3.43 113.55 106.91 1x5a h SER 6 Ca 0.37 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1x5a h SER 6 Cb 1.38 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 1x5a h SER 6 CO 0.82 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 1x5a n GLY 7 N -1.40 1.74 3.01 5.77 0.00 -1.26 -4.88 105.19 108.17 1x5a n GLY 7 Ca -0.04 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a s ALA 8 N -3.16 2.75 -0.29 4.61 0.00 -1.26 -5.05 121.76 119.36 1x5a s ALA 8 Ca 0.00 -2.36 -0.00 0.00 0.00 0.00 0.00 51.96 49.60 1x5a s ALA 8 Cb 0.00 -1.89 0.18 0.00 0.00 0.00 0.00 23.12 21.41 1x5a s ALA 8 CO 0.00 -1.62 0.56 -1.21 0.00 0.00 0.00 175.76 173.49 1x5a s GLU 9 N 0.98 0.53 0.44 0.00 2.02 -1.26 -5.17 118.70 116.24 1x5a s GLU 9 Ca 0.08 0.84 0.03 0.00 0.02 0.00 0.00 54.97 55.94 1x5a s GLU 9 Cb -0.19 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.33 1x5a s GLU 9 CO -0.09 -0.70 0.05 -1.54 0.02 0.00 0.00 175.26 173.00 1x5a s SER 10 N 2.79 3.44 -0.48 -0.19 1.04 -1.26 -5.02 113.70 114.03 1x5a s SER 10 Ca 0.18 -1.58 -0.22 0.00 0.48 0.00 0.00 55.95 54.80 1x5a s SER 10 Cb -0.14 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1x5a s SER 10 CO -0.21 -0.79 0.78 -0.22 0.98 0.00 0.00 173.24 173.78 1x5a s LEU 11 N -3.72 4.34 0.26 2.42 2.96 -1.26 -4.92 118.68 118.77 1x5a s LEU 11 Ca 0.20 -0.30 0.11 0.00 -0.22 0.00 0.00 54.13 53.92 1x5a s LEU 11 Cb 0.04 -2.84 0.85 0.00 0.50 0.00 0.00 46.19 44.74 1x5a s LEU 11 CO 0.10 -0.96 1.14 -0.24 -1.32 0.00 0.00 176.35 175.08 1x5a n SER 12 N 6.75 0.15 0.00 3.68 2.88 -1.26 -4.68 113.62 121.14 1x5a n SER 12 Ca 0.01 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1x5a n SER 12 Cb 0.48 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -1.24 1.93 3.52 0.46 0.00 -1.26 -4.45 105.19 104.15 1x5a n GLY 13 Ca 0.24 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.56 -4.38 0.99 4.77 -1.26 -4.81 117.00 111.75 1x5a n LEU 14 Ca 0.00 -0.79 -0.45 0.00 -0.03 0.00 0.00 56.01 54.75 1x5a n LEU 14 Cb 0.00 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 1x5a n LEU 14 CO 0.00 0.18 0.35 -0.94 -1.33 0.00 0.00 177.39 175.65 1x5a s SER 15 N -3.16 6.19 -0.32 -1.43 1.04 -1.26 -4.83 113.70 109.92 1x5a s SER 15 Ca 0.25 -1.36 -0.29 0.00 0.48 0.00 0.00 55.95 55.03 1x5a s SER 15 Cb -0.14 -2.29 -0.07 0.00 0.10 0.00 0.00 66.02 63.62 1x5a s SER 15 CO 0.63 -1.03 2.28 0.18 0.98 0.00 0.00 173.24 176.28 1x5a n LEU 16 N 6.14 2.78 -4.68 2.42 4.77 -1.26 -4.09 117.00 123.07 1x5a n LEU 16 Ca -0.10 0.06 -0.35 0.00 -0.03 0.00 0.00 56.01 55.59 1x5a n LEU 16 Cb 0.43 -1.50 -0.09 0.00 -2.33 0.00 0.00 43.42 39.92 1x5a n LEU 16 CO 0.57 -0.92 -0.30 -0.75 -1.33 0.00 0.00 177.39 174.66 1x5a s LYS 17 N 6.88 3.04 -0.82 3.23 2.47 -1.24 -4.96 119.74 128.34 1x5a s LYS 17 Ca 1.03 -0.40 -0.22 0.00 -1.56 0.00 0.00 55.97 54.81 1x5a s LYS 17 Cb -0.40 -2.82 0.08 0.00 -1.46 0.00 0.00 37.83 33.23 1x5a s LYS 17 CO 0.36 0.68 1.15 -1.17 0.16 0.00 0.00 175.35 176.53 1x5a s LEU 18 N -0.81 4.25 -0.13 5.43 2.96 -1.26 -3.04 118.68 126.07 1x5a s LEU 18 Ca 0.12 -1.32 -0.26 0.00 -0.22 0.00 0.00 54.13 52.45 1x5a s LEU 18 Cb -0.11 -2.46 -0.26 0.00 0.50 0.00 0.00 46.19 43.85 1x5a s LEU 18 CO 0.02 -1.40 0.70 -0.37 -1.32 0.00 0.00 176.35 173.98 1x5a h VAL 19 N 6.10 1.57 -3.30 1.68 -1.51 -1.93 -3.45 116.25 115.42 1x5a h VAL 19 Ca -0.06 -2.36 -0.64 0.00 -1.23 0.00 0.00 66.70 62.41 1x5a h VAL 19 Cb 1.04 3.15 -0.36 0.00 -2.13 0.00 0.00 31.29 32.99 1x5a h VAL 19 CO 1.22 0.59 -0.83 -0.75 -1.23 0.00 0.00 177.57 176.57 1x5a s LYS 20 N -2.29 2.43 -0.85 5.19 2.47 -1.25 -5.01 119.74 120.43 1x5a s LYS 20 Ca -0.20 -0.84 -0.12 0.00 -1.56 0.00 0.00 55.97 53.26 1x5a s LYS 20 Cb -0.01 -2.46 0.22 0.00 -1.46 0.00 0.00 37.83 34.13 1x5a s LYS 20 CO 0.71 -0.33 0.78 0.21 0.16 0.00 0.00 175.35 176.87 1x5a s LYS 21 N 1.34 3.56 0.12 4.03 2.20 -1.26 -3.12 119.74 126.61 1x5a s LYS 21 Ca 0.01 -2.60 0.07 0.00 -0.36 0.00 0.00 55.97 53.09 1x5a s LYS 21 Cb -0.15 -4.35 -0.04 0.00 -1.51 0.00 0.00 37.83 31.78 1x5a s LYS 21 CO -0.10 -1.27 -0.05 -1.21 -0.36 0.00 0.00 175.35 172.36 1x5a s GLU 22 N -0.11 2.31 0.49 4.03 0.41 -0.68 -4.16 118.70 120.99 1x5a s GLU 22 Ca 0.20 -1.01 0.27 0.00 -0.41 0.00 0.00 54.97 54.03 1x5a s GLU 22 Cb -0.11 -2.38 1.15 0.00 -1.78 0.00 0.00 34.13 31.01 1x5a s GLU 22 CO -0.08 0.50 1.92 -1.00 -0.49 0.00 0.00 175.26 176.10 1x5a h PRO 23 N 3.29 0.00 0.00 0.39 0.13 -1.87 -3.11 132.00 130.83 1x5a h PRO 23 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x5a h PRO 23 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x5a h PRO 23 CO 0.56 0.15 0.00 0.54 -0.23 0.00 0.00 178.00 179.02 1x5a n ARG 24 N -3.35 1.77 -3.73 0.86 1.74 -1.26 -1.74 116.66 110.95 1x5a n ARG 24 Ca -0.00 -1.12 -0.11 0.00 -0.77 0.00 0.00 57.85 55.85 1x5a n ARG 24 Cb 0.36 -0.89 -0.07 0.00 -1.02 0.00 0.00 32.46 30.85 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 -0.64 0.87 -0.30 5.56 0.74 -1.18 -2.95 119.66 121.77 1x5a s GLN 25 Ca 0.00 -0.56 -0.07 0.00 0.05 0.00 0.00 55.36 54.78 1x5a s GLN 25 Cb 0.00 0.38 0.15 0.00 1.10 0.00 0.00 33.01 34.64 1x5a s GLN 25 CO 0.00 -0.29 0.66 -0.51 -0.55 0.00 0.00 175.29 174.60 1x5a s LEU 26 N -2.25 -1.19 0.03 3.68 1.43 -0.77 -1.69 118.68 117.93 1x5a s LEU 26 Ca -0.03 1.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 1x5a s LEU 26 Cb 0.00 2.21 -0.04 0.00 0.03 0.00 0.00 46.19 48.39 1x5a s LEU 26 CO -0.05 -0.23 0.04 -0.70 0.23 0.00 0.00 176.35 175.64 1x5a s GLU 27 N 2.87 2.84 -0.02 1.70 2.12 -1.18 -2.12 118.70 124.90 1x5a s GLU 27 Ca 0.03 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.74 1x5a s GLU 27 Cb -0.13 -2.71 0.01 0.00 0.26 0.00 0.00 34.13 31.57 1x5a s GLU 27 CO -0.19 0.60 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.59 1x5a s LEU 28 N -1.93 1.60 -0.16 2.70 1.43 -1.12 -2.94 118.68 118.25 1x5a s LEU 28 Ca 0.24 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1x5a s LEU 28 Cb -0.12 -0.27 0.04 0.00 0.03 0.00 0.00 46.19 45.88 1x5a s LEU 28 CO 0.15 -0.02 -0.03 0.28 0.23 0.00 0.00 176.35 176.96 1x5a s THR 29 N 0.47 0.94 -0.33 5.49 -1.32 -1.17 -2.43 115.64 117.29 1x5a s THR 29 Ca -0.05 -0.54 0.01 0.00 -1.21 0.00 0.00 61.69 59.90 1x5a s THR 29 Cb -0.08 -1.17 0.08 0.00 -1.51 0.00 0.00 72.50 69.82 1x5a s THR 29 CO -0.01 0.09 0.05 -1.66 -2.21 0.00 0.00 174.62 170.88 1x5a s TRP 30 N 1.70 3.50 0.19 9.09 -2.14 -0.77 -3.71 118.94 126.80 1x5a s TRP 30 Ca 0.01 -2.45 -0.13 0.00 2.66 0.00 0.00 56.10 56.19 1x5a s TRP 30 Cb -0.15 -2.61 0.01 0.00 -3.10 0.00 0.00 33.47 27.62 1x5a s TRP 30 CO -0.07 -0.91 0.42 0.00 -2.66 0.00 0.00 176.95 173.73 1x5a s ALA 31 N 1.09 -0.49 0.32 2.67 0.00 -1.26 -4.52 121.76 119.56 1x5a s ALA 31 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1x5a s ALA 31 Cb -0.20 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1x5a s ALA 31 CO -0.05 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1x5a n GLY 32 N -0.29 -1.01 3.41 0.00 0.00 -1.26 -4.92 105.19 101.12 1x5a n GLY 32 Ca -0.08 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1x5a n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5a s SER 33 N -3.42 3.56 -0.23 1.61 1.04 -1.26 -5.12 113.70 109.89 1x5a s SER 33 Ca 0.00 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 1x5a s SER 33 Cb 0.00 -0.51 -0.02 0.00 0.10 0.00 0.00 66.02 65.60 1x5a s SER 33 CO 0.00 0.27 0.01 -0.13 0.98 0.00 0.00 173.24 174.37 1x5a s ARG 34 N -1.27 3.53 0.15 4.02 0.52 -1.26 -5.09 118.95 119.57 1x5a s ARG 34 Ca 0.13 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 54.49 1x5a s ARG 34 Cb -0.10 -3.14 -0.08 0.00 0.52 0.00 0.00 34.95 32.15 1x5a s ARG 34 CO 0.03 -0.14 1.33 -1.25 0.02 0.00 0.00 175.30 175.29 1x5a s PRO 35 N 1.41 4.36 -0.58 3.54 0.04 -1.26 -4.94 135.00 137.57 1x5a s PRO 35 Ca 0.05 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1x5a s PRO 35 Cb -0.15 -3.23 0.47 0.00 0.04 0.00 0.00 34.50 31.63 1x5a s PRO 35 CO 0.00 -0.33 1.87 0.54 0.04 0.00 0.00 177.00 179.12 1x5a n ARG 36 N 3.27 2.80 -3.51 4.56 3.00 -1.26 -4.87 116.66 120.65 1x5a n ARG 36 Ca 0.08 -3.42 0.00 0.00 -0.01 0.00 0.00 57.85 54.50 1x5a n ARG 36 Cb 0.43 -2.27 -0.04 0.00 0.00 0.00 0.00 32.46 30.58 1x5a n ARG 36 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1x5a s ASN 37 N -2.13 -0.80 0.71 0.55 0.01 -1.26 -5.17 114.94 106.85 1x5a s ASN 37 Ca 0.61 1.11 -0.13 0.00 -0.71 0.00 0.00 52.86 53.74 1x5a s ASN 37 Cb 0.49 1.89 0.02 0.00 0.41 0.00 0.00 41.25 44.06 1x5a s ASN 37 CO 0.01 -0.16 1.10 -2.16 -1.51 0.00 0.00 177.10 174.38 1x5a s PRO 38 N 2.57 2.57 0.00 -0.60 0.04 -1.26 -5.00 135.00 133.32 1x5a s PRO 38 Ca -0.04 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1x5a s PRO 38 Cb -0.08 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1x5a s PRO 38 CO -0.18 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1x5a n GLY 39 N -0.80 3.63 0.56 0.56 0.00 -1.26 -5.15 105.19 102.73 1x5a n GLY 39 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.79 3.65 -0.02 0.00 -1.26 -5.04 105.19 98.74 1x5a n GLY 40 Ca 0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.43 4.98 0.02 1.61 0.01 -1.26 -5.12 114.94 114.75 1x5a s ASN 41 Ca 0.00 -0.02 -0.02 0.00 -0.71 0.00 0.00 52.86 52.11 1x5a s ASN 41 Cb 0.00 -1.28 -0.02 0.00 0.41 0.00 0.00 41.25 40.36 1x5a s ASN 41 CO 0.00 0.30 0.01 -0.76 -1.51 0.00 0.00 177.10 175.15 1x5a s LEU 42 N -1.36 2.09 0.46 0.60 1.43 -1.26 -5.12 118.68 115.52 1x5a s LEU 42 Ca 0.17 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1x5a s LEU 42 Cb -0.11 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 1x5a s LEU 42 CO 0.08 -0.36 0.05 -0.44 0.23 0.00 0.00 176.35 175.90 1x5a s SER 43 N -1.65 4.09 -0.01 2.29 0.01 -1.26 -4.96 113.70 112.22 1x5a s SER 43 Ca -0.13 -1.46 0.03 0.00 1.31 0.00 0.00 55.95 55.71 1x5a s SER 43 Cb -0.07 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 1x5a s SER 43 CO -0.02 -0.68 -0.10 -0.31 0.41 0.00 0.00 173.24 172.55 1x5a s TYR 44 N -2.78 0.92 -0.27 2.43 2.02 -0.91 -2.00 117.35 116.76 1x5a s TYR 44 Ca 0.23 -0.17 -0.10 0.00 -0.37 0.00 0.00 57.07 56.65 1x5a s TYR 44 Cb 0.05 -0.59 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 1x5a s TYR 44 CO 0.12 -0.02 0.17 -2.00 -1.57 0.00 0.00 175.55 172.25 1x5a s GLU 45 N -0.23 3.94 -0.13 -0.62 2.12 -0.57 -1.42 118.70 121.79 1x5a s GLU 45 Ca 0.04 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 1x5a s GLU 45 Cb -0.04 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1x5a s GLU 45 CO -0.00 -0.12 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.42 1x5a s LEU 46 N 1.57 3.47 -0.17 2.70 1.98 -0.84 -2.30 118.68 125.09 1x5a s LEU 46 Ca 0.07 0.02 -0.02 0.00 -2.89 0.00 0.00 54.13 51.30 1x5a s LEU 46 Cb -0.15 -1.82 0.05 0.00 0.66 0.00 0.00 46.19 44.93 1x5a s LEU 46 CO 0.09 0.26 0.02 -2.28 -1.89 0.00 0.00 176.35 172.54 1x5a s HIS 47 N -0.17 1.10 -0.11 5.38 5.65 -0.85 -0.00 115.29 126.28 1x5a s HIS 47 Ca 0.04 -0.81 -0.03 0.00 0.25 0.00 0.00 55.06 54.51 1x5a s HIS 47 Cb -0.13 -1.05 -0.03 0.00 -1.18 0.00 0.00 32.58 30.19 1x5a s HIS 47 CO 0.02 -0.57 0.01 0.08 -0.65 0.00 0.00 174.74 173.63 1x5a s VAL 48 N 1.83 4.37 -0.13 0.89 1.01 0.72 -1.82 120.40 127.26 1x5a s VAL 48 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1x5a s VAL 48 Cb -0.16 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1x5a s VAL 48 CO -0.07 0.57 -0.19 -0.76 0.00 0.00 0.00 175.10 174.65 1x5a s LEU 49 N -0.51 1.93 0.52 3.92 1.02 0.80 -0.40 118.68 125.96 1x5a s LEU 49 Ca 0.09 -0.53 0.04 0.00 0.02 0.00 0.00 54.13 53.75 1x5a s LEU 49 Cb -0.12 -1.29 0.04 0.00 0.02 0.00 0.00 46.19 44.83 1x5a s LEU 49 CO 0.02 0.04 0.72 0.21 0.02 0.00 0.00 176.35 177.36 1x5a s ASN 50 N 0.94 5.33 0.00 2.29 3.84 0.40 -1.71 114.94 126.03 1x5a s ASN 50 Ca -0.06 -0.23 0.00 0.00 0.21 0.00 0.00 52.86 52.78 1x5a s ASN 50 Cb -0.15 -0.66 0.00 0.00 -0.55 0.00 0.00 41.25 39.89 1x5a s ASN 50 CO -0.03 -1.07 0.98 0.00 -2.79 0.00 0.00 177.10 174.18 1x5a n GLN 51 N -2.20 0.00 -1.07 0.43 1.13 -1.26 -2.53 117.38 111.87 1x5a n GLN 51 Ca 0.09 0.96 -0.11 0.00 -1.94 0.00 0.00 57.00 56.00 1x5a n GLN 51 Cb 0.60 -1.48 0.16 0.00 0.11 0.00 0.00 30.24 29.63 1x5a n GLN 51 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1x5a n ASP 52 N -2.86 3.34 -3.80 1.08 9.92 -1.26 -5.00 116.55 117.97 1x5a n ASP 52 Ca 0.00 -3.79 -0.10 0.00 -0.53 0.00 0.00 54.79 50.37 1x5a n ASP 52 Cb 0.00 -0.62 -0.05 0.00 -0.64 0.00 0.00 41.12 39.81 1x5a n ASP 52 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1x5a s GLU 53 N -3.37 1.16 -0.19 -1.24 0.41 -1.05 -5.17 118.70 109.24 1x5a s GLU 53 Ca 0.48 -0.94 -0.09 0.00 -0.41 0.00 0.00 54.97 54.00 1x5a s GLU 53 Cb 0.42 0.44 0.07 0.00 -1.78 0.00 0.00 34.13 33.28 1x5a s GLU 53 CO 0.00 -0.45 0.45 -2.00 -0.49 0.00 0.00 175.26 172.77 1x5a s GLU 54 N -3.88 0.41 0.02 1.61 2.12 -1.26 0.15 118.70 117.87 1x5a s GLU 54 Ca 0.10 0.93 -0.01 0.00 0.36 0.00 0.00 54.97 56.34 1x5a s GLU 54 Cb 0.02 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.51 1x5a s GLU 54 CO -0.05 -0.18 0.00 1.67 -0.54 0.00 0.00 175.26 176.15 1x5a s TRP 55 N 1.81 0.22 0.08 5.30 -2.14 0.46 -4.97 118.94 119.71 1x5a s TRP 55 Ca -0.07 -0.46 0.06 0.00 2.66 0.00 0.00 56.10 58.29 1x5a s TRP 55 Cb -0.09 -0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.08 1x5a s TRP 55 CO -0.14 -0.21 -0.17 -3.38 -2.66 0.00 0.00 176.95 170.39 1x5a s HIS 56 N -1.48 1.42 -0.20 1.66 -3.43 -1.26 -0.20 115.29 111.80 1x5a s HIS 56 Ca -0.15 -0.45 -0.10 0.00 -0.80 0.00 0.00 55.06 53.56 1x5a s HIS 56 Cb -0.09 -0.79 0.07 0.00 -1.43 0.00 0.00 32.58 30.33 1x5a s HIS 56 CO -0.01 0.11 0.47 1.14 -2.00 0.00 0.00 174.74 174.45 1x5a s GLN 57 N -1.81 0.45 0.03 -0.38 -2.07 1.00 -4.97 119.66 111.91 1x5a s GLN 57 Ca 0.01 0.91 -0.28 0.00 -1.82 0.00 0.00 55.36 54.18 1x5a s GLN 57 Cb -0.10 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.84 1x5a s GLN 57 CO 0.03 -0.17 0.90 1.41 -1.32 0.00 0.00 175.29 176.15 1x5a s MET 58 N 1.62 4.57 -0.01 9.60 -2.45 -1.26 -1.98 119.30 129.39 1x5a s MET 58 Ca -0.09 1.30 0.08 0.00 -1.25 0.00 0.00 55.69 55.73 1x5a s MET 58 Cb -0.08 -3.42 -0.02 0.00 1.25 0.00 0.00 34.83 32.55 1x5a s MET 58 CO -0.14 0.09 -0.24 0.14 1.05 0.00 0.00 175.02 175.92 1x5a s VAL 59 N 0.54 2.24 -0.48 10.11 -7.23 -0.51 -4.92 120.40 120.15 1x5a s VAL 59 Ca 0.47 -1.10 0.11 0.00 -1.81 0.00 0.00 61.98 59.64 1x5a s VAL 59 Cb -0.21 -1.81 0.63 0.00 0.56 0.00 0.00 36.38 35.54 1x5a s VAL 59 CO 0.26 0.54 1.46 0.18 -0.31 0.00 0.00 175.10 177.23 1x5a n LEU 60 N 2.28 4.58 -3.88 1.32 4.77 -1.26 -2.15 117.00 122.66 1x5a n LEU 60 Ca -0.16 -2.32 -0.10 0.00 -0.03 0.00 0.00 56.01 53.39 1x5a n LEU 60 Cb 0.51 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1x5a n LEU 60 CO 0.24 0.55 -0.16 -1.83 -1.33 0.00 0.00 177.39 174.86 1x5a s GLU 61 N -2.31 0.61 0.00 3.23 1.03 -1.26 -4.94 118.70 115.05 1x5a s GLU 61 Ca 0.42 -0.62 0.11 0.00 0.03 0.00 0.00 54.97 54.91 1x5a s GLU 61 Cb 0.31 0.25 0.66 0.00 -0.80 0.00 0.00 34.13 34.55 1x5a s GLU 61 CO 0.13 -0.16 1.09 -0.35 -1.33 0.00 0.00 175.26 174.64 1x5a n PRO 62 N 0.89 0.48 -4.52 -4.83 -0.04 -1.26 -4.59 135.00 121.13 1x5a n PRO 62 Ca -0.20 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.02 1x5a n PRO 62 Cb 0.58 -1.36 -0.16 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 1.55 -0.05 0.54 1.70 -1.26 -1.84 118.95 117.59 1x5a s ARG 63 Ca 0.17 -0.37 0.06 0.00 -0.47 0.00 0.00 55.73 55.12 1x5a s ARG 63 Cb 0.08 -1.31 -0.01 0.00 -0.57 0.00 0.00 34.95 33.14 1x5a s ARG 63 CO 0.13 0.02 -0.22 0.54 -1.08 0.00 0.00 175.30 174.69 1x5a s VAL 64 N 0.68 1.79 -0.38 4.99 0.11 -1.02 -4.96 120.40 121.61 1x5a s VAL 64 Ca -0.14 -0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 57.89 1x5a s VAL 64 Cb -0.15 -1.52 0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1x5a s VAL 64 CO 0.03 0.51 0.20 -0.22 -3.33 0.00 0.00 175.10 172.28 1x5a s LEU 65 N -0.15 4.74 -0.23 2.54 1.98 -1.26 -2.77 118.68 123.52 1x5a s LEU 65 Ca -0.02 -1.16 -0.13 0.00 -2.89 0.00 0.00 54.13 49.93 1x5a s LEU 65 Cb -0.12 -1.98 -0.04 0.00 0.66 0.00 0.00 46.19 44.71 1x5a s LEU 65 CO 0.02 -0.41 0.27 -0.76 -1.89 0.00 0.00 176.35 173.58 1x5a s LEU 66 N 1.48 4.12 0.51 -0.68 1.43 -0.90 -5.02 118.68 119.62 1x5a s LEU 66 Ca 0.01 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1x5a s LEU 66 Cb -0.20 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1x5a s LEU 66 CO 0.05 -0.02 0.02 0.42 0.23 0.00 0.00 176.35 177.05 1x5a s THR 67 N 1.29 1.02 -1.29 5.49 -4.23 -1.26 -1.85 115.64 114.81 1x5a s THR 67 Ca 0.12 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1x5a s THR 67 Cb -0.14 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.59 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 -1.24 -7.08 -2.92 3.99 5.02 -1.18 -4.97 118.16 109.78 1x5a n LYS 68 Ca -0.19 0.82 -0.20 0.00 -2.02 0.00 0.00 58.31 56.73 1x5a n LYS 68 Cb 0.67 -5.83 0.05 0.00 -0.02 0.00 0.00 35.03 29.90 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 -6.82 3.27 -0.01 -0.35 1.43 -1.15 -5.05 118.68 110.00 1x5a s LEU 69 Ca 0.28 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1x5a s LEU 69 Cb -0.12 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1x5a s LEU 69 CO 0.74 -1.22 -0.18 -1.10 0.23 0.00 0.00 176.35 174.82 1x5a s GLN 70 N -4.65 2.24 0.36 1.70 -1.52 -1.21 -4.45 119.66 112.13 1x5a s GLN 70 Ca 0.60 -0.86 -0.27 0.00 -1.95 0.00 0.00 55.36 52.88 1x5a s GLN 70 Cb -0.07 -2.23 -0.09 0.00 -0.22 0.00 0.00 33.01 30.40 1x5a s GLN 70 CO 0.38 0.58 1.21 -1.25 -0.25 0.00 0.00 175.29 175.95 1x5a s PRO 71 N -0.99 4.25 -1.20 2.91 0.04 -0.71 -3.61 135.00 135.70 1x5a s PRO 71 Ca 0.12 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 1x5a s PRO 71 Cb -0.10 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1x5a s PRO 71 CO 0.02 -0.19 0.97 -3.47 0.04 0.00 0.00 177.00 174.37 1x5a n ASP 72 N 0.50 -2.37 -3.84 6.66 2.03 -1.11 -4.81 116.55 113.62 1x5a n ASP 72 Ca 0.02 -0.65 -0.12 0.00 0.52 0.00 0.00 54.79 54.56 1x5a n ASP 72 Cb 0.44 -5.05 -0.14 0.00 -0.72 0.00 0.00 41.12 35.66 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 -3.39 -0.01 -0.09 5.18 2.01 -1.24 -4.99 115.64 113.12 1x5a s THR 73 Ca 0.04 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.81 1x5a s THR 73 Cb -0.01 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 1x5a s THR 73 CO 0.74 0.01 0.83 -0.89 -0.69 0.00 0.00 174.62 174.62 1x5a s THR 74 N 0.18 4.93 -0.23 -0.82 2.01 -1.26 -2.70 115.64 117.74 1x5a s THR 74 Ca -0.01 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.70 1x5a s THR 74 Cb -0.02 -4.16 0.05 0.00 0.01 0.00 0.00 72.50 68.38 1x5a s THR 74 CO -0.01 0.14 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.65 1x5a s TYR 75 N 1.39 2.80 0.13 4.92 2.02 -0.67 -4.09 117.35 123.85 1x5a s TYR 75 Ca 0.42 -1.95 -0.24 0.00 -0.37 0.00 0.00 57.07 54.93 1x5a s TYR 75 Cb -0.18 -1.77 -0.07 0.00 -0.40 0.00 0.00 41.96 39.54 1x5a s TYR 75 CO 0.19 -0.81 0.74 0.42 -1.57 0.00 0.00 175.55 174.51 1x5a s ILE 76 N 1.26 4.50 0.00 2.71 -1.09 -0.69 -3.54 121.20 124.35 1x5a s ILE 76 Ca -0.05 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 1x5a s ILE 76 Cb -0.18 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1x5a s ILE 76 CO -0.07 0.49 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.44 1x5a s VAL 77 N -0.90 0.04 -0.09 2.92 1.01 -1.23 -0.14 120.40 122.00 1x5a s VAL 77 Ca 0.35 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1x5a s VAL 77 Cb -0.22 -0.06 0.05 0.00 0.00 0.00 0.00 36.38 36.14 1x5a s VAL 77 CO 0.24 -0.07 0.17 0.00 0.00 0.00 0.00 175.10 175.45 1x5a s ARG 78 N -0.23 0.06 0.00 2.72 1.70 -0.76 -3.28 118.95 119.16 1x5a s ARG 78 Ca -0.02 0.56 0.06 0.00 -0.47 0.00 0.00 55.73 55.86 1x5a s ARG 78 Cb -0.02 -0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.11 1x5a s ARG 78 CO -0.00 -0.28 -0.17 0.54 -1.08 0.00 0.00 175.30 174.31 1x5a s VAL 79 N 2.15 2.85 -0.09 4.99 0.11 -1.26 -2.01 120.40 127.14 1x5a s VAL 79 Ca 0.01 -1.00 -0.09 0.00 -2.93 0.00 0.00 61.98 57.97 1x5a s VAL 79 Cb -0.12 -2.15 0.02 0.00 -1.53 0.00 0.00 36.38 32.60 1x5a s VAL 79 CO -0.06 0.45 0.26 0.00 -3.33 0.00 0.00 175.10 172.42 1x5a s ARG 80 N -1.11 0.32 0.03 1.54 1.04 -0.97 -3.57 118.95 116.23 1x5a s ARG 80 Ca 0.13 0.32 -0.30 0.00 -1.04 0.00 0.00 55.73 54.84 1x5a s ARG 80 Cb -0.11 0.16 -0.06 0.00 -2.04 0.00 0.00 34.95 32.90 1x5a s ARG 80 CO 0.03 -0.04 1.43 0.99 -0.04 0.00 0.00 175.30 177.67 1x5a s THR 81 N 0.04 3.55 0.22 4.99 2.01 -1.26 -1.50 115.64 123.69 1x5a s THR 81 Ca -0.01 0.99 -0.25 0.00 0.31 0.00 0.00 61.69 62.73 1x5a s THR 81 Cb -0.02 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1x5a s THR 81 CO 0.01 0.01 0.82 -0.76 -0.69 0.00 0.00 174.62 174.00 1x5a s LEU 82 N 2.22 4.49 0.08 4.42 1.43 -0.85 -3.20 118.68 127.28 1x5a s LEU 82 Ca 0.65 1.66 0.04 0.00 -1.03 0.00 0.00 54.13 55.45 1x5a s LEU 82 Cb -0.33 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 1x5a s LEU 82 CO 0.28 0.11 -0.11 0.42 0.23 0.00 0.00 176.35 177.28 1x5a s THR 83 N -1.34 0.92 0.09 5.49 -4.23 -1.26 -4.49 115.64 110.83 1x5a s THR 83 Ca 0.41 -1.48 -0.15 0.00 -1.18 0.00 0.00 61.69 59.28 1x5a s THR 83 Cb -0.21 -1.18 -0.09 0.00 1.34 0.00 0.00 72.50 72.36 1x5a s THR 83 CO 0.25 -0.46 1.41 1.55 -0.54 0.00 0.00 174.62 176.84 1x5a h PRO 84 N 3.86 0.67 -3.45 3.99 0.13 -2.00 -3.38 132.00 131.83 1x5a h PRO 84 Ca -0.38 -0.36 -0.62 0.00 -0.87 0.00 0.00 66.00 63.77 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 0.48 0.97 -0.70 -0.48 -0.23 0.00 0.00 178.00 178.04 1x5a s LEU 85 N -8.98 3.48 0.00 1.56 2.34 -1.26 -4.89 118.68 110.93 1x5a s LEU 85 Ca -0.12 -2.56 0.00 0.00 0.06 0.00 0.00 54.13 51.51 1x5a s LEU 85 Cb 0.08 -1.30 0.00 0.00 -0.56 0.00 0.00 46.19 44.41 1x5a s LEU 85 CO 0.82 -0.29 0.00 0.61 -1.06 0.00 0.00 176.35 176.43 1x5a n GLY 86 N 3.67 0.00 3.77 -3.48 0.00 -1.26 -5.06 105.19 102.83 1x5a n GLY 86 Ca 0.05 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.99 3.58 0.89 1.61 0.04 -1.26 -4.72 135.00 134.16 1x5a s PRO 87 Ca 0.00 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1x5a s PRO 87 Cb 0.00 -2.23 0.13 0.00 0.04 0.00 0.00 34.50 32.44 1x5a s PRO 87 CO 0.00 -0.68 1.09 0.20 0.04 0.00 0.00 177.00 177.65 1x5a s GLY 88 N -1.54 1.62 0.76 0.56 0.00 -1.19 -4.95 107.32 102.59 1x5a s GLY 88 Ca 0.68 0.01 -0.11 0.00 0.00 0.00 0.00 44.72 45.30 1x5a s GLY 88 CO 0.31 0.49 1.09 2.56 0.00 0.00 0.00 173.10 177.56 1x5a s PRO 89 N -4.89 2.29 -0.08 2.90 0.04 -1.26 -4.84 135.00 129.16 1x5a s PRO 89 Ca 0.64 1.19 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 1x5a s PRO 89 Cb -0.18 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1x5a s PRO 89 CO 0.57 -1.62 0.89 -0.06 0.04 0.00 0.00 177.00 176.82 1x5a s PHE 90 N -2.86 3.56 0.81 0.56 0.08 -1.26 -4.71 117.98 114.16 1x5a s PHE 90 Ca 0.62 1.48 -0.16 0.00 0.12 0.00 0.00 56.93 58.99 1x5a s PHE 90 Cb -0.17 -3.04 -0.07 0.00 -0.57 0.00 0.00 43.02 39.16 1x5a s PHE 90 CO 0.55 -0.09 0.04 -1.13 -0.10 0.00 0.00 175.22 174.49 1x5a n SER 91 N 4.42 -3.09 -4.74 1.36 3.41 -1.23 -4.87 113.62 108.88 1x5a n SER 91 Ca 0.05 0.44 -0.41 0.00 -0.26 0.00 0.00 58.87 58.68 1x5a n SER 91 Cb 0.50 -1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.39 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 -2.45 4.40 -0.50 4.33 0.04 -1.26 -4.81 135.00 134.76 1x5a s PRO 92 Ca 0.55 2.04 -0.42 0.00 0.04 0.00 0.00 61.00 63.22 1x5a s PRO 92 Cb -0.30 -3.19 -0.18 0.00 0.04 0.00 0.00 34.50 30.87 1x5a s PRO 92 CO 0.68 -0.22 2.08 -0.25 0.04 0.00 0.00 177.00 179.33 1x5a n ASP 93 N 2.47 0.71 -4.44 6.66 8.00 -1.26 -4.84 116.55 123.86 1x5a n ASP 93 Ca 0.05 0.64 -0.44 0.00 0.71 0.00 0.00 54.79 55.76 1x5a n ASP 93 Cb 0.43 -0.87 -0.05 0.00 -0.02 0.00 0.00 41.12 40.61 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1x5a s HIS 94 N 5.88 2.86 -0.28 1.24 3.76 -1.21 -4.99 115.29 122.56 1x5a s HIS 94 Ca 1.16 -0.61 -0.29 0.00 -0.15 0.00 0.00 55.06 55.18 1x5a s HIS 94 Cb -1.44 -4.03 -0.02 0.00 1.11 0.00 0.00 32.58 28.20 1x5a s HIS 94 CO 0.63 -1.38 1.70 -2.00 -0.85 0.00 0.00 174.74 172.84 1x5a s GLU 95 N 3.34 3.57 0.15 1.40 2.12 -1.26 -3.55 118.70 124.47 1x5a s GLU 95 Ca 0.18 1.53 0.10 0.00 0.36 0.00 0.00 54.97 57.15 1x5a s GLU 95 Cb -0.19 -4.11 -0.04 0.00 0.26 0.00 0.00 34.13 30.04 1x5a s GLU 95 CO 0.10 -1.57 -0.24 -0.06 -0.54 0.00 0.00 175.26 172.96 1x5a s PHE 96 N 6.00 2.14 -0.06 5.30 0.08 -1.23 -5.03 117.98 125.17 1x5a s PHE 96 Ca 0.75 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.42 1x5a s PHE 96 Cb -0.24 -1.12 0.02 0.00 -0.57 0.00 0.00 43.02 41.12 1x5a s PHE 96 CO 0.32 0.35 -0.05 0.50 -0.10 0.00 0.00 175.22 176.24 1x5a s ARG 97 N -2.28 1.03 0.46 0.44 3.52 -1.26 -1.67 118.95 119.19 1x5a s ARG 97 Ca 0.14 -0.13 -0.20 0.00 -0.13 0.00 0.00 55.73 55.41 1x5a s ARG 97 Cb -0.09 -1.07 -0.10 0.00 -1.56 0.00 0.00 34.95 32.13 1x5a s ARG 97 CO 0.07 -0.14 0.97 0.95 -0.81 0.00 0.00 175.30 176.34 1x5a s THR 98 N 1.21 4.31 0.72 4.11 -4.23 -1.10 -4.94 115.64 115.72 1x5a s THR 98 Ca -0.06 1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 61.65 1x5a s THR 98 Cb -0.14 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 1x5a s THR 98 CO -0.02 -0.39 0.76 -1.20 -0.54 0.00 0.00 174.62 173.24 1x5a n SER 99 N -0.91 -0.31 -4.77 3.99 7.64 -1.24 -3.72 113.62 114.30 1x5a n SER 99 Ca 0.07 0.64 -0.32 0.00 1.01 0.00 0.00 58.87 60.26 1x5a n SER 99 Cb 0.54 -1.31 0.06 0.00 -1.01 0.00 0.00 64.21 62.48 1x5a n SER 99 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x5a s PRO 100 N -3.04 2.65 0.72 1.43 0.04 -1.26 -2.74 135.00 132.80 1x5a s PRO 100 Ca 0.70 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 1x5a s PRO 100 Cb -0.35 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.28 1x5a s PRO 100 CO 0.54 -1.36 1.10 -1.25 0.04 0.00 0.00 177.00 176.07 1x5a s PRO 101 N -4.32 2.50 0.02 0.56 0.04 -1.26 -4.80 135.00 127.74 1x5a s PRO 101 Ca 0.65 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 1x5a s PRO 101 Cb -0.20 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 1x5a s PRO 101 CO 0.45 -1.47 1.20 1.03 0.04 0.00 0.00 177.00 178.25 1x5a h SER 102 N -0.61 -0.83 -0.22 6.66 0.87 -2.02 -3.42 113.55 113.98 1x5a h SER 102 Ca -0.45 0.02 -0.56 0.00 -1.23 0.00 0.00 61.79 59.56 1x5a h SER 102 Cb 1.24 0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 63.35 1x5a h SER 102 CO 0.53 -0.47 1.63 0.61 -0.53 0.00 0.00 176.83 178.60 1x5a n GLY 103 N -0.80 -0.29 3.71 5.77 0.00 -1.26 -4.88 105.19 107.44 1x5a n GLY 103 Ca -0.13 1.09 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 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 8.12 1.19 -0.03 1.61 0.04 -1.26 -5.08 135.00 139.59 1x5a s PRO 104 Ca 1.27 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1x5a s PRO 104 Cb -1.18 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 31.65 1x5a s PRO 104 CO 0.50 -2.28 0.87 -1.12 0.04 0.00 0.00 177.00 175.01 1x5a s SER 105 N -3.43 -0.41 -0.08 6.66 0.01 -1.26 -5.08 113.70 110.11 1x5a s SER 105 Ca 0.64 0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.90 1x5a s SER 105 Cb -0.18 0.40 -0.10 0.00 0.21 0.00 0.00 66.02 66.35 1x5a s SER 105 CO 0.57 -0.59 0.48 0.28 0.41 0.00 0.00 173.24 174.38 1x5a h SER 106 N 2.19 -0.13 0.00 2.44 0.02 -2.05 -3.56 113.55 112.46 1x5a h SER 106 Ca -0.23 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1x5a h SER 106 Cb 1.22 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1x5a h SER 106 CO 0.32 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 177.08