#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 0.11 -0.19 1.61 0.01 -1.26 -5.14 113.70 108.84 1x5a s SER 2 Ca 0.00 0.37 -0.09 0.00 1.31 0.00 0.00 55.95 57.54 1x5a s SER 2 Cb 0.00 1.18 -0.05 0.00 0.21 0.00 0.00 66.02 67.36 1x5a s SER 2 CO 0.00 -0.29 0.10 -0.94 0.41 0.00 0.00 173.24 172.52 1x5a s SER 3 N 2.56 5.96 0.00 2.44 1.04 -1.26 -4.83 113.70 119.61 1x5a s SER 3 Ca 0.11 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1x5a s SER 3 Cb -0.15 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1x5a s SER 3 CO -0.15 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1x5a n GLY 4 N 3.53 0.76 0.35 7.32 0.00 -1.26 -5.01 105.19 110.89 1x5a n GLY 4 Ca -0.16 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 1x5a n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5a n SER 5 N 0.00 -0.57 -4.89 1.61 3.41 -1.26 -4.50 113.62 107.42 1x5a n SER 5 Ca 0.00 1.61 -0.20 0.00 -0.26 0.00 0.00 58.87 60.02 1x5a n SER 5 Cb 0.00 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 1x5a n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5a s SER 6 N -5.32 5.11 -0.38 4.04 0.01 -1.26 -5.07 113.70 110.82 1x5a s SER 6 Ca -0.13 -0.72 0.13 0.00 1.31 0.00 0.00 55.95 56.54 1x5a s SER 6 Cb 0.20 -0.57 0.41 0.00 0.21 0.00 0.00 66.02 66.27 1x5a s SER 6 CO 0.67 -0.67 0.93 0.61 0.41 0.00 0.00 173.24 175.19 1x5a n GLY 7 N -1.58 3.31 3.10 3.44 0.00 -1.26 -5.01 105.19 107.19 1x5a n GLY 7 Ca 0.04 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.08 3.68 0.17 4.61 0.00 -1.26 -5.07 121.76 120.81 1x5a s ALA 8 Ca 0.36 -3.36 0.09 0.00 0.00 0.00 0.00 51.96 49.06 1x5a s ALA 8 Cb 0.40 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1x5a s ALA 8 CO -0.05 -2.13 -0.13 -1.21 0.00 0.00 0.00 175.76 172.24 1x5a s GLU 9 N -0.26 1.93 -0.82 0.00 8.01 -1.26 -5.09 118.70 121.21 1x5a s GLU 9 Ca 0.18 -1.28 -0.01 0.00 0.01 0.00 0.00 54.97 53.88 1x5a s GLU 9 Cb -0.18 -2.11 0.20 0.00 -4.31 0.00 0.00 34.13 27.73 1x5a s GLU 9 CO -0.05 0.44 0.68 0.45 0.01 0.00 0.00 175.26 176.79 1x5a s SER 10 N -2.63 5.69 -0.29 -0.19 0.15 -1.26 -5.03 113.70 110.13 1x5a s SER 10 Ca 0.23 -3.60 -0.04 0.00 0.70 0.00 0.00 55.95 53.24 1x5a s SER 10 Cb -0.09 -1.86 0.03 0.00 -1.71 0.00 0.00 66.02 62.39 1x5a s SER 10 CO 0.13 -0.20 0.02 -0.22 1.20 0.00 0.00 173.24 174.18 1x5a s LEU 11 N -1.15 3.80 0.18 3.45 2.96 -1.26 -4.91 118.68 121.75 1x5a s LEU 11 Ca 0.25 -1.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.00 1x5a s LEU 11 Cb -0.09 -1.77 0.19 0.00 0.50 0.00 0.00 46.19 45.02 1x5a s LEU 11 CO -0.11 -0.23 1.18 -0.24 -1.32 0.00 0.00 176.35 175.63 1x5a n SER 12 N 4.72 -0.48 0.00 3.68 2.88 -1.26 -4.58 113.62 118.58 1x5a n SER 12 Ca -0.14 1.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1x5a n SER 12 Cb 0.45 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.37 -1.51 3.01 0.46 0.00 -1.26 -5.10 105.19 99.42 1x5a n GLY 13 Ca 0.08 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.76 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 0.99 -0.21 0.99 1.43 -1.26 -4.28 118.68 116.34 1x5a s LEU 14 Ca 0.00 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1x5a s LEU 14 Cb 0.00 0.54 0.09 0.00 0.03 0.00 0.00 46.19 46.85 1x5a s LEU 14 CO 0.00 -0.11 0.21 -0.44 0.23 0.00 0.00 176.35 176.24 1x5a s SER 15 N 0.63 1.59 -0.26 2.29 0.01 -1.26 -5.05 113.70 111.65 1x5a s SER 15 Ca -0.04 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 1x5a s SER 15 Cb -0.06 0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 1x5a s SER 15 CO -0.03 -0.34 1.82 -0.76 0.41 0.00 0.00 173.24 174.34 1x5a s LEU 16 N 2.30 3.67 -0.10 2.44 1.43 -1.26 -4.48 118.68 122.68 1x5a s LEU 16 Ca 0.07 1.57 -0.02 0.00 -1.03 0.00 0.00 54.13 54.72 1x5a s LEU 16 Cb -0.16 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1x5a s LEU 16 CO -0.14 -1.57 -0.03 -0.75 0.23 0.00 0.00 176.35 174.09 1x5a s LYS 17 N 5.39 3.09 -0.49 1.70 2.47 -1.21 -4.99 119.74 125.70 1x5a s LYS 17 Ca 0.81 -0.47 -0.23 0.00 -1.56 0.00 0.00 55.97 54.52 1x5a s LYS 17 Cb -0.26 -2.77 0.04 0.00 -1.46 0.00 0.00 37.83 33.37 1x5a s LYS 17 CO 0.33 0.58 0.82 -1.17 0.16 0.00 0.00 175.35 176.08 1x5a s LEU 18 N -0.56 4.28 -0.13 5.43 2.96 -1.26 -3.00 118.68 126.39 1x5a s LEU 18 Ca 0.09 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.56 1x5a s LEU 18 Cb -0.12 -2.86 -0.25 0.00 0.50 0.00 0.00 46.19 43.46 1x5a s LEU 18 CO 0.02 -1.03 0.44 -0.37 -1.32 0.00 0.00 176.35 174.10 1x5a h VAL 19 N 5.98 0.92 -3.45 1.68 -1.51 -1.88 -3.47 116.25 114.52 1x5a h VAL 19 Ca -0.26 -2.34 -0.42 0.00 -1.23 0.00 0.00 66.70 62.45 1x5a h VAL 19 Cb 1.08 2.57 -0.34 0.00 -2.13 0.00 0.00 31.29 32.47 1x5a h VAL 19 CO 1.01 0.67 -0.78 -0.75 -1.23 0.00 0.00 177.57 176.49 1x5a s LYS 20 N -2.47 0.94 -0.65 5.19 2.47 -1.24 -5.01 119.74 118.97 1x5a s LYS 20 Ca -0.22 -0.15 -0.00 0.00 -1.56 0.00 0.00 55.97 54.04 1x5a s LYS 20 Cb 0.05 -0.91 0.16 0.00 -1.46 0.00 0.00 37.83 35.67 1x5a s LYS 20 CO 0.73 -0.07 0.45 0.21 0.16 0.00 0.00 175.35 176.83 1x5a s LYS 21 N 0.88 2.52 0.21 4.03 2.20 -1.26 -3.23 119.74 125.10 1x5a s LYS 21 Ca -0.12 -2.75 0.06 0.00 -0.36 0.00 0.00 55.97 52.80 1x5a s LYS 21 Cb -0.15 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1x5a s LYS 21 CO 0.01 -1.18 0.17 -1.21 -0.36 0.00 0.00 175.35 172.77 1x5a s GLU 22 N -0.46 2.91 0.51 4.03 2.02 -0.49 -3.82 118.70 123.40 1x5a s GLU 22 Ca 0.19 -0.97 0.30 0.00 0.02 0.00 0.00 54.97 54.51 1x5a s GLU 22 Cb -0.18 -2.60 1.25 0.00 0.10 0.00 0.00 34.13 32.70 1x5a s GLU 22 CO -0.05 0.44 1.95 -1.00 0.02 0.00 0.00 175.26 176.62 1x5a h PRO 23 N 1.94 0.00 0.00 0.39 0.13 -1.90 -3.19 132.00 129.36 1x5a h PRO 23 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1x5a h PRO 23 Cb 1.22 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.11 1x5a h PRO 23 CO 0.62 0.09 -0.82 0.54 -0.23 0.00 0.00 178.00 178.20 1x5a n ARG 24 N -3.25 0.39 -3.58 0.86 1.74 -1.26 -1.43 116.66 110.13 1x5a n ARG 24 Ca 0.00 -2.19 -0.11 0.00 -0.77 0.00 0.00 57.85 54.79 1x5a n ARG 24 Cb 0.34 -0.47 -0.05 0.00 -1.02 0.00 0.00 32.46 31.25 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 -0.81 0.60 -0.24 5.56 0.74 -1.21 -2.43 119.66 121.87 1x5a s GLN 25 Ca 0.31 0.18 -0.12 0.00 0.05 0.00 0.00 55.36 55.79 1x5a s GLN 25 Cb 0.34 0.28 0.09 0.00 1.10 0.00 0.00 33.01 34.82 1x5a s GLN 25 CO -0.12 -0.18 0.57 -0.51 -0.55 0.00 0.00 175.29 174.50 1x5a s LEU 26 N -1.00 -0.72 0.00 3.68 1.43 -0.42 -1.40 118.68 120.24 1x5a s LEU 26 Ca -0.02 1.29 0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1x5a s LEU 26 Cb -0.01 1.94 -0.03 0.00 0.03 0.00 0.00 46.19 48.13 1x5a s LEU 26 CO 0.01 -0.22 -0.20 -0.70 0.23 0.00 0.00 176.35 175.47 1x5a s GLU 27 N 1.99 2.17 0.09 1.70 2.12 -1.20 -1.62 118.70 123.95 1x5a s GLU 27 Ca -0.08 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 54.38 1x5a s GLU 27 Cb -0.08 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 1x5a s GLU 27 CO -0.17 0.56 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.51 1x5a s LEU 28 N -1.03 2.37 -0.03 2.70 1.43 -1.12 -2.59 118.68 120.42 1x5a s LEU 28 Ca 0.12 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1x5a s LEU 28 Cb -0.10 -0.30 0.03 0.00 0.03 0.00 0.00 46.19 45.85 1x5a s LEU 28 CO 0.02 -0.24 0.04 0.28 0.23 0.00 0.00 176.35 176.68 1x5a s THR 29 N -2.20 -0.08 -0.28 5.49 -1.32 -1.16 -3.02 115.64 113.06 1x5a s THR 29 Ca 0.03 0.28 0.01 0.00 -1.21 0.00 0.00 61.69 60.80 1x5a s THR 29 Cb -0.04 -0.11 0.08 0.00 -1.51 0.00 0.00 72.50 70.92 1x5a s THR 29 CO 0.00 0.12 0.03 -1.66 -2.21 0.00 0.00 174.62 170.90 1x5a s TRP 30 N 1.41 2.42 -0.22 9.09 -2.14 -1.03 -3.34 118.94 125.13 1x5a s TRP 30 Ca -0.05 -2.01 -0.04 0.00 2.66 0.00 0.00 56.10 56.67 1x5a s TRP 30 Cb -0.13 -1.93 0.10 0.00 -3.10 0.00 0.00 33.47 28.41 1x5a s TRP 30 CO -0.03 -0.84 0.20 0.00 -2.66 0.00 0.00 176.95 173.62 1x5a s ALA 31 N 1.38 -0.10 0.00 2.67 0.00 -1.26 -4.84 121.76 119.61 1x5a s ALA 31 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1x5a s ALA 31 Cb -0.18 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1x5a s ALA 31 CO -0.13 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.71 1x5a n GLY 32 N 5.30 1.13 3.20 0.00 0.00 -1.26 -5.01 105.19 108.55 1x5a n GLY 32 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 1x5a n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5a s SER 33 N -1.21 2.25 0.41 1.61 0.15 -1.26 -5.12 113.70 110.53 1x5a s SER 33 Ca 0.00 -0.39 -0.26 0.00 0.70 0.00 0.00 55.95 56.00 1x5a s SER 33 Cb 0.00 -0.23 -0.09 0.00 -1.71 0.00 0.00 66.02 63.99 1x5a s SER 33 CO 0.00 0.20 1.33 -0.60 1.20 0.00 0.00 173.24 175.38 1x5a s ARG 34 N -0.67 3.93 0.83 5.44 3.52 -1.26 -5.00 118.95 125.75 1x5a s ARG 34 Ca 0.07 2.22 -0.11 0.00 -0.13 0.00 0.00 55.73 57.78 1x5a s ARG 34 Cb -0.08 -2.75 0.09 0.00 -1.56 0.00 0.00 34.95 30.66 1x5a s ARG 34 CO 0.00 -0.55 1.09 -1.25 -0.81 0.00 0.00 175.30 173.78 1x5a s PRO 35 N -2.27 1.75 -0.11 5.12 0.04 -1.26 -5.01 135.00 133.27 1x5a s PRO 35 Ca 0.57 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 1x5a s PRO 35 Cb -0.39 -1.85 -0.20 0.00 0.04 0.00 0.00 34.50 32.10 1x5a s PRO 35 CO 0.51 -1.95 0.71 -0.09 0.04 0.00 0.00 177.00 176.22 1x5a h ARG 36 N -1.34 -0.03 -4.97 4.56 2.43 -2.05 -3.44 114.38 109.54 1x5a h ARG 36 Ca -0.46 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.07 1x5a h ARG 36 Cb 1.26 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.65 1x5a h ARG 36 CO 0.53 0.68 -0.45 0.54 -1.51 0.00 0.00 179.97 179.76 1x5a s ASN 37 N -5.96 6.08 1.21 -3.80 2.20 -1.26 -5.09 114.94 108.33 1x5a s ASN 37 Ca -0.15 0.07 -0.17 0.00 -0.94 0.00 0.00 52.86 51.67 1x5a s ASN 37 Cb -0.02 -2.14 0.25 0.00 -2.00 0.00 0.00 41.25 37.35 1x5a s ASN 37 CO 0.55 -0.08 0.91 -0.81 -2.94 0.00 0.00 177.10 174.73 1x5a n PRO 38 N 5.08 -2.80 -1.86 3.55 -0.04 -1.26 -4.87 135.00 132.81 1x5a n PRO 38 Ca -0.13 -1.45 -0.02 0.00 -0.04 0.00 0.00 63.50 61.87 1x5a n PRO 38 Cb 0.52 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 1x5a n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x5a n GLY 39 N -3.55 -3.64 0.00 0.55 0.00 -1.26 -5.09 105.19 92.20 1x5a n GLY 39 Ca 0.13 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.50 -1.18 3.72 -0.02 0.00 -1.26 -5.13 105.19 101.81 1x5a n GLY 40 Ca -0.12 0.68 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 6.77 0.28 1.61 0.01 -1.26 -5.02 114.94 117.33 1x5a s ASN 41 Ca 0.00 2.40 0.10 0.00 -0.71 0.00 0.00 52.86 54.64 1x5a s ASN 41 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 1x5a s ASN 41 CO 0.00 -0.69 -0.14 -0.76 -1.51 0.00 0.00 177.10 174.00 1x5a s LEU 42 N 1.11 2.60 0.00 0.60 1.43 -1.26 -5.10 118.68 118.06 1x5a s LEU 42 Ca 0.66 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1x5a s LEU 42 Cb -0.38 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 44.93 1x5a s LEU 42 CO 0.30 -0.13 0.07 -1.54 0.23 0.00 0.00 176.35 175.29 1x5a n SER 43 N -0.62 2.69 -3.66 2.29 3.41 -1.26 -4.80 113.62 111.67 1x5a n SER 43 Ca -0.06 -2.37 -0.13 0.00 -0.26 0.00 0.00 58.87 56.05 1x5a n SER 43 Cb 0.62 0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.64 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 -2.06 -0.70 -0.25 7.33 1.51 -0.41 -2.24 117.35 120.53 1x5a s TYR 44 Ca 0.06 1.68 -0.12 0.00 -1.01 0.00 0.00 57.07 57.67 1x5a s TYR 44 Cb -0.00 0.26 -0.05 0.00 -0.11 0.00 0.00 41.96 42.06 1x5a s TYR 44 CO 0.04 -0.34 0.25 -2.00 -1.11 0.00 0.00 175.55 172.38 1x5a s GLU 45 N 0.45 4.06 -0.13 -0.62 2.56 -0.32 -0.51 118.70 124.19 1x5a s GLU 45 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.97 54.80 1x5a s GLU 45 Cb -0.04 -3.58 -0.03 0.00 2.00 0.00 0.00 34.13 32.47 1x5a s GLU 45 CO -0.01 -0.07 -0.04 -1.17 -0.56 0.00 0.00 175.26 173.41 1x5a s LEU 46 N 1.43 3.26 -0.17 2.70 1.98 -0.79 -2.33 118.68 124.77 1x5a s LEU 46 Ca 0.11 -0.08 -0.02 0.00 -2.89 0.00 0.00 54.13 51.25 1x5a s LEU 46 Cb -0.15 -1.77 0.05 0.00 0.66 0.00 0.00 46.19 44.99 1x5a s LEU 46 CO 0.07 0.23 0.01 -2.28 -1.89 0.00 0.00 176.35 172.49 1x5a s HIS 47 N 0.01 1.19 -0.10 5.38 5.65 -0.76 -0.15 115.29 126.51 1x5a s HIS 47 Ca 0.01 -0.83 -0.02 0.00 0.25 0.00 0.00 55.06 54.46 1x5a s HIS 47 Cb -0.13 -1.08 -0.03 0.00 -1.18 0.00 0.00 32.58 30.15 1x5a s HIS 47 CO 0.03 -0.57 -0.02 0.08 -0.65 0.00 0.00 174.74 173.61 1x5a s VAL 48 N 1.80 4.12 0.07 0.89 1.01 0.03 -1.64 120.40 126.68 1x5a s VAL 48 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1x5a s VAL 48 Cb -0.16 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1x5a s VAL 48 CO -0.07 0.57 -0.21 -0.76 0.00 0.00 0.00 175.10 174.63 1x5a s LEU 49 N -0.52 2.24 0.27 3.92 1.02 0.82 -1.06 118.68 125.37 1x5a s LEU 49 Ca 0.09 -0.61 0.04 0.00 0.02 0.00 0.00 54.13 53.66 1x5a s LEU 49 Cb -0.12 -0.92 -0.03 0.00 0.02 0.00 0.00 46.19 45.14 1x5a s LEU 49 CO 0.02 0.10 0.21 0.21 0.02 0.00 0.00 176.35 176.91 1x5a s ASN 50 N -1.56 1.01 0.13 2.29 2.47 0.53 -1.71 114.94 118.09 1x5a s ASN 50 Ca 0.07 -1.59 -0.27 0.00 0.42 0.00 0.00 52.86 51.49 1x5a s ASN 50 Cb -0.09 0.47 -0.07 0.00 -1.45 0.00 0.00 41.25 40.11 1x5a s ASN 50 CO 0.03 -0.96 1.46 1.56 -3.72 0.00 0.00 177.10 175.47 1x5a h GLN 51 N 2.35 -0.08 0.00 0.43 4.20 -2.01 -3.13 115.11 116.88 1x5a h GLN 51 Ca -0.30 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1x5a h GLN 51 Cb 1.24 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1x5a h GLN 51 CO 0.44 -0.05 -0.24 -0.25 -0.67 0.00 0.00 178.83 178.06 1x5a n ASP 52 N -4.92 1.42 -3.69 1.46 8.00 -1.26 -5.00 116.55 112.56 1x5a n ASP 52 Ca 0.01 -2.70 -0.24 0.00 0.71 0.00 0.00 54.79 52.57 1x5a n ASP 52 Cb 0.24 -0.35 -0.17 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.76 0.29 -0.16 -1.24 2.02 -1.18 -5.11 118.70 111.56 1x5a s GLU 53 Ca 0.21 -0.01 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 1x5a s GLU 53 Cb 0.19 -1.39 0.05 0.00 0.10 0.00 0.00 34.13 33.08 1x5a s GLU 53 CO 0.01 -0.50 0.02 -2.00 0.02 0.00 0.00 175.26 172.81 1x5a s GLU 54 N 2.04 0.73 0.13 1.61 2.12 -1.26 0.20 118.70 124.28 1x5a s GLU 54 Ca 0.03 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.09 1x5a s GLU 54 Cb -0.14 -1.83 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 1x5a s GLU 54 CO -0.06 -0.54 -0.10 1.67 -0.54 0.00 0.00 175.26 175.69 1x5a s TRP 55 N 1.86 1.18 -0.03 5.30 -2.14 -0.23 -4.99 118.94 119.89 1x5a s TRP 55 Ca 0.01 -0.77 0.02 0.00 2.66 0.00 0.00 56.10 58.02 1x5a s TRP 55 Cb -0.16 -0.62 0.01 0.00 -3.10 0.00 0.00 33.47 29.61 1x5a s TRP 55 CO -0.07 0.04 -0.08 -3.38 -2.66 0.00 0.00 176.95 170.79 1x5a s HIS 56 N -3.24 0.93 -0.03 1.66 -3.43 -1.26 -0.79 115.29 109.13 1x5a s HIS 56 Ca 0.14 -0.25 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 1x5a s HIS 56 Cb 0.02 -0.70 0.03 0.00 -1.43 0.00 0.00 32.58 30.50 1x5a s HIS 56 CO -0.00 -0.14 0.01 1.14 -2.00 0.00 0.00 174.74 173.74 1x5a s GLN 57 N 0.43 0.25 -0.06 -0.38 -2.07 0.78 -4.98 119.66 113.63 1x5a s GLN 57 Ca -0.07 0.10 -0.28 0.00 -1.82 0.00 0.00 55.36 53.30 1x5a s GLN 57 Cb -0.11 -0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 31.31 1x5a s GLN 57 CO 0.01 -0.15 0.90 1.41 -1.32 0.00 0.00 175.29 176.14 1x5a s MET 58 N 1.11 4.47 -0.05 9.60 -2.45 -1.26 -1.88 119.30 128.84 1x5a s MET 58 Ca -0.09 1.24 0.04 0.00 -1.25 0.00 0.00 55.69 55.64 1x5a s MET 58 Cb -0.13 -3.49 -0.02 0.00 1.25 0.00 0.00 34.83 32.44 1x5a s MET 58 CO -0.02 -0.11 -0.18 0.14 1.05 0.00 0.00 175.02 175.90 1x5a s VAL 59 N 1.31 2.71 0.01 10.11 -7.23 0.34 -4.92 120.40 122.73 1x5a s VAL 59 Ca 0.46 -0.84 0.10 0.00 -1.81 0.00 0.00 61.98 59.89 1x5a s VAL 59 Cb -0.19 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.62 1x5a s VAL 59 CO 0.22 0.58 1.36 -0.07 -0.31 0.00 0.00 175.10 176.88 1x5a h LEU 60 N 5.63 0.00 -9.93 1.32 3.38 -1.89 -1.08 115.31 112.74 1x5a h LEU 60 Ca -0.41 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.99 1x5a h LEU 60 Cb 1.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1x5a h LEU 60 CO 0.50 0.78 -0.24 -1.83 0.09 0.00 0.00 178.44 177.73 1x5a s GLU 61 N -2.84 3.70 0.00 1.13 1.03 -1.26 -4.57 118.70 115.88 1x5a s GLU 61 Ca 0.02 0.06 0.11 0.00 0.03 0.00 0.00 54.97 55.19 1x5a s GLU 61 Cb 0.09 -2.83 0.65 0.00 -0.80 0.00 0.00 34.13 31.24 1x5a s GLU 61 CO 0.79 0.45 1.08 -0.35 -1.33 0.00 0.00 175.26 175.90 1x5a n PRO 62 N 0.20 0.49 -4.50 -4.83 -0.04 -1.26 -4.58 135.00 120.48 1x5a n PRO 62 Ca -0.03 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.17 1x5a n PRO 62 Cb 0.52 -1.35 -0.17 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.89 0.02 0.54 1.70 -1.26 -2.46 118.95 117.38 1x5a s ARG 63 Ca 0.16 -0.46 0.07 0.00 -0.47 0.00 0.00 55.73 55.03 1x5a s ARG 63 Cb 0.07 -1.61 -0.03 0.00 -0.57 0.00 0.00 34.95 32.82 1x5a s ARG 63 CO 0.13 -0.03 -0.18 0.54 -1.08 0.00 0.00 175.30 174.67 1x5a s VAL 64 N 0.87 2.75 -0.27 4.99 0.11 -1.17 -5.00 120.40 122.68 1x5a s VAL 64 Ca -0.10 -1.12 0.03 0.00 -2.93 0.00 0.00 61.98 57.86 1x5a s VAL 64 Cb -0.15 -2.13 0.07 0.00 -1.53 0.00 0.00 36.38 32.64 1x5a s VAL 64 CO 0.01 0.39 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.88 1x5a s LEU 65 N -1.27 3.65 -0.11 2.54 1.98 -1.26 -2.80 118.68 121.42 1x5a s LEU 65 Ca 0.14 -1.54 -0.09 0.00 -2.89 0.00 0.00 54.13 49.75 1x5a s LEU 65 Cb -0.10 -1.54 -0.04 0.00 0.66 0.00 0.00 46.19 45.16 1x5a s LEU 65 CO 0.04 -0.23 0.20 -0.76 -1.89 0.00 0.00 176.35 173.71 1x5a s LEU 66 N 1.08 4.38 0.27 -0.68 1.43 -0.64 -4.99 118.68 119.52 1x5a s LEU 66 Ca -0.05 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1x5a s LEU 66 Cb -0.20 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1x5a s LEU 66 CO -0.06 0.35 0.13 0.42 0.23 0.00 0.00 176.35 177.42 1x5a s THR 67 N -0.78 0.37 -0.85 5.49 -4.23 -1.26 -1.31 115.64 113.08 1x5a s THR 67 Ca 0.16 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1x5a s THR 67 Cb -0.13 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1x5a s THR 67 CO 0.05 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.42 1x5a n LYS 68 N -0.49 -0.66 -1.97 3.99 4.76 -1.02 -4.93 118.16 117.84 1x5a n LYS 68 Ca 0.01 0.62 -0.29 0.00 -2.87 0.00 0.00 58.31 55.78 1x5a n LYS 68 Cb 0.66 -4.56 0.13 0.00 -1.84 0.00 0.00 35.03 29.41 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 -2.29 2.63 -0.04 -0.35 1.43 -1.24 -5.02 118.68 113.81 1x5a s LEU 69 Ca 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1x5a s LEU 69 Cb 0.00 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 1x5a s LEU 69 CO 0.00 -2.20 -0.01 -1.10 0.23 0.00 0.00 176.35 173.28 1x5a s GLN 70 N -5.65 2.86 0.50 1.70 -0.21 -1.21 -4.23 119.66 113.42 1x5a s GLN 70 Ca 0.67 -0.52 -0.21 0.00 0.02 0.00 0.00 55.36 55.31 1x5a s GLN 70 Cb -0.08 -2.71 -0.07 0.00 1.00 0.00 0.00 33.01 31.16 1x5a s GLN 70 CO 0.50 0.66 1.15 -1.25 -2.12 0.00 0.00 175.29 174.23 1x5a s PRO 71 N -1.19 3.57 -1.36 2.91 0.04 -0.52 -3.62 135.00 134.84 1x5a s PRO 71 Ca 0.16 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 1x5a s PRO 71 Cb -0.11 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 1x5a s PRO 71 CO 0.06 -0.68 0.54 -3.47 0.04 0.00 0.00 177.00 173.48 1x5a n ASP 72 N -0.87 -0.71 -3.80 6.66 2.03 -0.97 -4.85 116.55 114.04 1x5a n ASP 72 Ca 0.09 -0.93 -0.16 0.00 0.52 0.00 0.00 54.79 54.31 1x5a n ASP 72 Cb 0.49 -3.47 -0.16 0.00 -0.72 0.00 0.00 41.12 37.26 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 -3.84 0.09 -0.09 5.18 2.01 -1.24 -4.96 115.64 112.80 1x5a s THR 73 Ca 0.01 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1x5a s THR 73 Cb -0.00 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 1x5a s THR 73 CO 0.86 0.13 1.35 -0.89 -0.69 0.00 0.00 174.62 175.38 1x5a s THR 74 N 1.06 4.03 -0.19 -0.82 2.01 -1.26 -3.31 115.64 117.15 1x5a s THR 74 Ca -0.09 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.21 1x5a s THR 74 Cb -0.13 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1x5a s THR 74 CO -0.02 -0.07 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.35 1x5a s TYR 75 N 3.15 2.84 -0.04 4.92 2.02 -0.63 -4.57 117.35 125.05 1x5a s TYR 75 Ca 0.60 -1.62 -0.20 0.00 -0.37 0.00 0.00 57.07 55.49 1x5a s TYR 75 Cb -0.26 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 1x5a s TYR 75 CO 0.21 -0.78 0.57 0.42 -1.57 0.00 0.00 175.55 174.40 1x5a s ILE 76 N 1.30 5.00 -0.01 2.71 -1.09 -0.70 -3.43 121.20 124.98 1x5a s ILE 76 Ca 0.04 1.18 0.01 0.00 -2.23 0.00 0.00 60.65 59.65 1x5a s ILE 76 Cb -0.14 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1x5a s ILE 76 CO -0.11 0.38 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.25 1x5a s VAL 77 N 0.09 0.39 -0.05 2.92 1.01 -1.25 -0.13 120.40 123.39 1x5a s VAL 77 Ca 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1x5a s VAL 77 Cb -0.17 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1x5a s VAL 77 CO 0.15 0.13 0.03 0.00 0.00 0.00 0.00 175.10 175.42 1x5a s ARG 78 N 0.16 0.21 0.07 2.72 1.70 -0.65 -3.74 118.95 119.42 1x5a s ARG 78 Ca -0.01 0.25 0.08 0.00 -0.47 0.00 0.00 55.73 55.57 1x5a s ARG 78 Cb -0.05 -0.67 -0.04 0.00 -0.57 0.00 0.00 34.95 33.62 1x5a s ARG 78 CO -0.00 -0.30 -0.18 0.54 -1.08 0.00 0.00 175.30 174.28 1x5a s VAL 79 N 1.97 2.83 -0.12 4.99 0.11 -1.26 -1.82 120.40 127.10 1x5a s VAL 79 Ca 0.03 -1.29 -0.09 0.00 -2.93 0.00 0.00 61.98 57.70 1x5a s VAL 79 Cb -0.12 -2.23 0.04 0.00 -1.53 0.00 0.00 36.38 32.53 1x5a s VAL 79 CO -0.04 0.25 0.30 0.00 -3.33 0.00 0.00 175.10 172.29 1x5a s ARG 80 N -1.70 0.33 -0.01 1.54 1.04 -0.98 -3.68 118.95 115.49 1x5a s ARG 80 Ca 0.16 0.49 -0.30 0.00 -1.04 0.00 0.00 55.73 55.04 1x5a s ARG 80 Cb -0.11 0.08 -0.04 0.00 -2.04 0.00 0.00 34.95 32.85 1x5a s ARG 80 CO 0.07 -0.08 1.10 0.99 -0.04 0.00 0.00 175.30 177.34 1x5a s THR 81 N 0.56 4.47 0.50 4.99 2.01 -1.26 -1.17 115.64 125.73 1x5a s THR 81 Ca -0.03 1.77 -0.04 0.00 0.31 0.00 0.00 61.69 63.70 1x5a s THR 81 Cb -0.05 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1x5a s THR 81 CO -0.03 0.09 0.79 -0.76 -0.69 0.00 0.00 174.62 174.02 1x5a s LEU 82 N 1.41 3.53 0.10 4.42 1.02 -0.95 -3.26 118.68 124.95 1x5a s LEU 82 Ca 0.54 0.72 -0.06 0.00 0.02 0.00 0.00 54.13 55.35 1x5a s LEU 82 Cb -0.24 -3.61 -0.02 0.00 0.02 0.00 0.00 46.19 42.34 1x5a s LEU 82 CO 0.26 -0.74 0.14 0.42 0.02 0.00 0.00 176.35 176.45 1x5a s THR 83 N -2.76 0.14 0.22 5.49 -4.23 -1.26 -4.45 115.64 108.78 1x5a s THR 83 Ca 0.49 -1.45 0.24 0.00 -1.18 0.00 0.00 61.69 59.79 1x5a s THR 83 Cb -0.10 -1.56 0.23 0.00 1.34 0.00 0.00 72.50 72.41 1x5a s THR 83 CO 0.43 -0.64 1.88 1.55 -0.54 0.00 0.00 174.62 177.30 1x5a h PRO 84 N 2.82 0.00 -3.27 3.99 0.13 -1.99 -3.38 132.00 130.30 1x5a h PRO 84 Ca -0.34 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.17 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 0.57 0.22 -0.70 -0.48 -0.23 0.00 0.00 178.00 177.38 1x5a s LEU 85 N -6.98 3.35 -0.12 1.56 0.05 -1.26 -4.96 118.68 110.32 1x5a s LEU 85 Ca -0.01 -2.67 -0.06 0.00 0.05 0.00 0.00 54.13 51.45 1x5a s LEU 85 Cb 0.11 -1.27 0.02 0.00 -2.05 0.00 0.00 46.19 43.00 1x5a s LEU 85 CO 0.63 -0.27 0.11 0.61 -0.55 0.00 0.00 176.35 176.88 1x5a n GLY 86 N 3.52 -4.15 3.77 -3.48 0.00 -1.26 -4.97 105.19 98.63 1x5a n GLY 86 Ca 0.06 0.71 -0.40 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.84 4.38 1.09 1.61 0.04 -1.26 -4.61 135.00 135.42 1x5a s PRO 87 Ca -0.13 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1x5a s PRO 87 Cb 0.01 -3.03 0.21 0.00 0.04 0.00 0.00 34.50 31.73 1x5a s PRO 87 CO 0.44 -0.10 0.85 0.41 0.04 0.00 0.00 177.00 178.65 1x5a n GLY 88 N 0.89 -1.69 1.56 0.56 0.00 -1.20 -4.93 105.19 100.38 1x5a n GLY 88 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1x5a n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5a n PRO 89 N -4.11 -1.96 -3.83 1.61 -0.04 -1.26 -4.88 135.00 120.53 1x5a n PRO 89 Ca 0.05 -0.78 -0.37 0.00 -0.04 0.00 0.00 63.50 62.36 1x5a n PRO 89 Cb 0.55 -0.73 -0.06 0.00 -0.04 0.00 0.00 33.50 33.21 1x5a n PRO 89 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1x5a s PHE 90 N -1.89 3.58 0.79 0.54 0.08 -1.26 -4.66 117.98 115.16 1x5a s PHE 90 Ca 0.32 0.53 -0.14 0.00 0.12 0.00 0.00 56.93 57.76 1x5a s PHE 90 Cb -0.03 -2.00 0.07 0.00 -0.57 0.00 0.00 43.02 40.49 1x5a s PHE 90 CO 0.24 0.66 1.22 -1.54 -0.10 0.00 0.00 175.22 175.71 1x5a s SER 91 N -0.81 3.68 0.25 1.36 1.04 -1.24 -4.94 113.70 113.03 1x5a s SER 91 Ca 0.15 2.41 -0.30 0.00 0.48 0.00 0.00 55.95 58.69 1x5a s SER 91 Cb -0.12 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.31 1x5a s SER 91 CO 0.04 -2.61 1.27 -2.16 0.98 0.00 0.00 173.24 170.76 1x5a s PRO 92 N -4.04 4.42 -0.48 4.02 0.04 -1.26 -4.80 135.00 132.90 1x5a s PRO 92 Ca 0.75 2.05 -0.46 0.00 0.04 0.00 0.00 61.00 63.37 1x5a s PRO 92 Cb -0.30 -3.16 -0.20 0.00 0.04 0.00 0.00 34.50 30.88 1x5a s PRO 92 CO 0.49 -0.15 1.62 -0.25 0.04 0.00 0.00 177.00 178.75 1x5a n ASP 93 N 1.92 1.33 -4.37 6.66 8.00 -1.26 -4.88 116.55 123.95 1x5a n ASP 93 Ca 0.03 1.18 -0.42 0.00 0.71 0.00 0.00 54.79 56.29 1x5a n ASP 93 Cb 0.43 -0.91 -0.09 0.00 -0.02 0.00 0.00 41.12 40.53 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 3.08 3.26 -0.43 1.24 3.76 -1.24 -5.01 115.29 119.94 1x5a s HIS 94 Ca 1.04 -1.01 -0.28 0.00 -0.15 0.00 0.00 55.06 54.67 1x5a s HIS 94 Cb -1.46 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 29.38 1x5a s HIS 94 CO 0.80 -0.73 1.86 -2.00 -0.85 0.00 0.00 174.74 173.82 1x5a s GLU 95 N 1.58 3.02 0.11 1.40 2.12 -1.26 -3.84 118.70 121.82 1x5a s GLU 95 Ca 0.03 1.16 0.09 0.00 0.36 0.00 0.00 54.97 56.61 1x5a s GLU 95 Cb -0.22 -4.29 -0.04 0.00 0.26 0.00 0.00 34.13 29.85 1x5a s GLU 95 CO 0.06 -2.24 -0.19 -0.06 -0.54 0.00 0.00 175.26 172.29 1x5a s PHE 96 N 7.98 2.52 -0.05 5.30 0.08 -1.22 -5.03 117.98 127.56 1x5a s PHE 96 Ca 0.77 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.58 1x5a s PHE 96 Cb -0.19 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1x5a s PHE 96 CO 0.29 0.37 -0.14 0.50 -0.10 0.00 0.00 175.22 176.14 1x5a s ARG 97 N -2.07 1.68 0.77 0.44 3.52 -1.26 -1.60 118.95 120.43 1x5a s ARG 97 Ca 0.17 -0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 55.17 1x5a s ARG 97 Cb -0.11 -1.43 0.07 0.00 -1.56 0.00 0.00 34.95 31.92 1x5a s ARG 97 CO 0.09 0.13 1.13 0.95 -0.81 0.00 0.00 175.30 176.80 1x5a s THR 98 N 0.33 2.30 0.42 4.11 -4.23 -1.21 -4.94 115.64 112.43 1x5a s THR 98 Ca -0.09 0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.19 1x5a s THR 98 Cb -0.13 -3.08 -0.08 0.00 1.34 0.00 0.00 72.50 70.54 1x5a s THR 98 CO 0.03 -0.10 1.33 -0.55 -0.54 0.00 0.00 174.62 174.78 1x5a s SER 99 N -4.53 6.19 0.22 3.99 0.15 -1.24 -4.19 113.70 114.29 1x5a s SER 99 Ca 0.61 2.71 -0.30 0.00 0.70 0.00 0.00 55.95 59.67 1x5a s SER 99 Cb -0.11 -2.64 -0.09 0.00 -1.71 0.00 0.00 66.02 61.47 1x5a s SER 99 CO 0.49 -0.94 1.29 -2.16 1.20 0.00 0.00 173.24 173.12 1x5a s PRO 100 N -2.31 4.40 0.40 5.44 0.04 -1.26 -2.29 135.00 139.43 1x5a s PRO 100 Ca 0.58 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.86 1x5a s PRO 100 Cb -0.39 -3.18 0.85 0.00 0.04 0.00 0.00 34.50 31.81 1x5a s PRO 100 CO 0.50 -0.21 1.82 -1.00 0.04 0.00 0.00 177.00 178.15 1x5a h PRO 101 N 5.06 0.00 -2.82 0.56 0.13 -1.93 -3.44 132.00 129.56 1x5a h PRO 101 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1x5a h PRO 101 Cb 1.22 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 1x5a h PRO 101 CO 0.75 0.32 -0.34 -1.54 -0.23 0.00 0.00 178.00 176.96 1x5a s SER 102 N -6.47 -0.40 -0.30 1.44 1.04 -1.26 -5.14 113.70 102.61 1x5a s SER 102 Ca -0.01 0.74 -0.21 0.00 0.48 0.00 0.00 55.95 56.95 1x5a s SER 102 Cb 0.12 0.67 0.19 0.00 0.10 0.00 0.00 66.02 67.10 1x5a s SER 102 CO 0.67 -0.16 1.30 -0.83 0.98 0.00 0.00 173.24 175.20 1x5a s GLY 103 N 0.91 0.37 0.05 7.32 0.00 -1.26 -5.14 107.32 109.56 1x5a s GLY 103 Ca -0.06 3.52 -0.31 0.00 0.00 0.00 0.00 44.72 47.87 1x5a s GLY 103 CO -0.07 2.27 1.41 2.56 0.00 0.00 0.00 173.10 179.27 1x5a s PRO 104 N 0.50 4.29 0.88 2.90 0.04 -1.26 -5.01 135.00 137.34 1x5a s PRO 104 Ca 0.00 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1x5a s PRO 104 Cb -0.04 -3.46 0.12 0.00 0.04 0.00 0.00 34.50 31.16 1x5a s PRO 104 CO -0.13 -0.53 1.11 -1.12 0.04 0.00 0.00 177.00 176.37 1x5a s SER 105 N 1.63 3.74 -0.25 6.66 0.01 -1.26 -5.02 113.70 119.21 1x5a s SER 105 Ca 0.65 1.23 -0.10 0.00 1.31 0.00 0.00 55.95 59.04 1x5a s SER 105 Cb -0.34 -1.90 -0.15 0.00 0.21 0.00 0.00 66.02 63.83 1x5a s SER 105 CO 0.28 -2.44 -0.20 -1.20 0.41 0.00 0.00 173.24 170.10 1x5a n SER 106 N -3.72 1.97 0.00 2.44 7.64 -1.26 -5.36 113.62 115.33 1x5a n SER 106 Ca 0.07 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x5a n SER 106 Cb 0.57 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1x5a n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64