#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 3.77 -0.42 1.61 0.15 -1.26 -4.95 113.70 112.59 1x5a s SER 2 Ca 0.00 2.07 -0.24 0.00 0.70 0.00 0.00 55.95 58.48 1x5a s SER 2 Cb 0.00 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1x5a s SER 2 CO 0.00 -2.54 0.85 -0.55 1.20 0.00 0.00 173.24 172.20 1x5a s SER 3 N -2.83 6.51 0.00 5.45 0.15 -1.26 -4.97 113.70 116.75 1x5a s SER 3 Ca 0.66 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1x5a s SER 3 Cb -0.22 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1x5a s SER 3 CO 0.55 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1x5a n GLY 4 N 4.76 1.34 3.26 9.45 0.00 -1.26 -5.17 105.19 117.57 1x5a n GLY 4 Ca 0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 1x5a n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5a s SER 5 N 0.00 -0.41 1.00 1.61 0.15 -1.26 -5.02 113.70 109.77 1x5a s SER 5 Ca 0.00 0.91 -0.11 0.00 0.70 0.00 0.00 55.95 57.44 1x5a s SER 5 Cb 0.00 0.93 0.19 0.00 -1.71 0.00 0.00 66.02 65.43 1x5a s SER 5 CO 0.00 -0.21 1.09 -0.44 1.20 0.00 0.00 173.24 174.88 1x5a s SER 6 N 1.78 2.40 0.00 5.45 0.01 -1.26 -4.72 113.70 117.35 1x5a s SER 6 Ca -0.07 1.74 0.00 0.00 1.31 0.00 0.00 55.95 58.93 1x5a s SER 6 Cb -0.10 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1x5a s SER 6 CO -0.13 -3.35 0.00 0.61 0.41 0.00 0.00 173.24 170.78 1x5a n GLY 7 N 0.01 2.64 0.30 3.44 0.00 -1.26 -4.91 105.19 105.41 1x5a n GLY 7 Ca 0.07 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1x5a n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5a h ALA 8 N 0.00 1.21 -2.65 4.61 0.00 -2.05 -3.24 119.26 117.14 1x5a h ALA 8 Ca 0.00 0.06 -0.79 0.00 0.00 0.00 0.00 54.91 54.18 1x5a h ALA 8 Cb 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 17.79 17.46 1x5a h ALA 8 CO 0.00 -0.01 0.33 -1.83 0.00 0.00 0.00 179.25 177.74 1x5a s GLU 9 N -6.00 3.96 -0.60 0.00 -1.05 -1.26 -4.99 118.70 108.75 1x5a s GLU 9 Ca -0.12 -2.90 -0.18 0.00 -0.15 0.00 0.00 54.97 51.62 1x5a s GLU 9 Cb 0.20 -4.52 0.11 0.00 -0.44 0.00 0.00 34.13 29.49 1x5a s GLU 9 CO 0.78 -1.28 0.68 -1.54 0.95 0.00 0.00 175.26 174.85 1x5a s SER 10 N 1.70 6.22 0.40 0.83 1.04 -1.22 -4.95 113.70 117.72 1x5a s SER 10 Ca 0.26 -1.57 -0.22 0.00 0.48 0.00 0.00 55.95 54.90 1x5a s SER 10 Cb -0.10 -2.28 -0.14 0.00 0.10 0.00 0.00 66.02 63.60 1x5a s SER 10 CO -0.08 -1.04 0.43 -0.11 0.98 0.00 0.00 173.24 173.41 1x5a n LEU 11 N 6.04 -0.82 -4.83 2.42 7.94 -1.26 -4.93 117.00 121.56 1x5a n LEU 11 Ca -0.09 0.90 -0.34 0.00 -1.11 0.00 0.00 56.01 55.37 1x5a n LEU 11 Cb 0.42 -1.05 -0.06 0.00 0.53 0.00 0.00 43.42 43.27 1x5a n LEU 11 CO 0.56 -3.22 0.42 -0.44 -1.11 0.00 0.00 177.39 173.60 1x5a s SER 12 N -0.96 6.90 0.00 1.96 0.01 -1.26 -4.01 113.70 116.34 1x5a s SER 12 Ca 0.62 1.35 0.00 0.00 1.31 0.00 0.00 55.95 59.23 1x5a s SER 12 Cb -0.63 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.21 1x5a s SER 12 CO 0.59 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1x5a n GLY 13 N 0.13 1.28 2.74 3.44 0.00 -1.26 -4.85 105.19 106.65 1x5a n GLY 13 Ca 0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 0.48 -0.13 0.99 1.43 -1.26 -4.74 118.68 115.45 1x5a s LEU 14 Ca 0.00 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1x5a s LEU 14 Cb 0.00 -0.29 0.07 0.00 0.03 0.00 0.00 46.19 46.00 1x5a s LEU 14 CO 0.00 -0.20 0.26 -0.44 0.23 0.00 0.00 176.35 176.19 1x5a s SER 15 N 1.92 0.42 0.13 2.29 0.01 -1.26 -4.24 113.70 112.98 1x5a s SER 15 Ca 0.03 0.54 -0.30 0.00 1.31 0.00 0.00 55.95 57.53 1x5a s SER 15 Cb -0.12 0.67 -0.07 0.00 0.21 0.00 0.00 66.02 66.71 1x5a s SER 15 CO -0.04 -0.25 1.09 -0.76 0.41 0.00 0.00 173.24 173.70 1x5a s LEU 16 N 2.41 4.46 0.05 2.44 1.43 -1.26 -4.09 118.68 124.12 1x5a s LEU 16 Ca 0.02 2.00 0.05 0.00 -1.03 0.00 0.00 54.13 55.17 1x5a s LEU 16 Cb -0.12 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1x5a s LEU 16 CO -0.09 -0.25 -0.14 -1.59 0.23 0.00 0.00 176.35 174.51 1x5a s LYS 17 N 0.05 0.91 -0.67 1.70 -2.85 -1.20 -4.98 119.74 112.70 1x5a s LYS 17 Ca 0.51 -0.84 -0.27 0.00 -1.00 0.00 0.00 55.97 54.36 1x5a s LYS 17 Cb -0.28 -0.93 0.02 0.00 -2.06 0.00 0.00 37.83 34.58 1x5a s LYS 17 CO 0.33 0.22 1.31 -1.17 0.10 0.00 0.00 175.35 176.14 1x5a s LEU 18 N -1.36 3.28 -0.12 2.77 2.96 -1.26 -2.93 118.68 122.02 1x5a s LEU 18 Ca 0.01 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.66 1x5a s LEU 18 Cb -0.09 -2.79 -0.09 0.00 0.50 0.00 0.00 46.19 43.73 1x5a s LEU 18 CO 0.02 -1.76 0.24 0.58 -1.32 0.00 0.00 176.35 174.11 1x5a h VAL 19 N 6.16 0.59 -3.20 1.68 2.07 -0.53 -3.46 116.25 119.56 1x5a h VAL 19 Ca -0.27 -1.45 -0.55 0.00 0.82 0.00 0.00 66.70 65.25 1x5a h VAL 19 Cb 1.06 1.11 -0.37 0.00 -1.52 0.00 0.00 31.29 31.58 1x5a h VAL 19 CO 1.24 0.20 -0.81 -0.75 0.02 0.00 0.00 177.57 177.47 1x5a s LYS 20 N -1.79 1.70 -0.51 1.57 2.47 -1.04 -4.96 119.74 117.17 1x5a s LYS 20 Ca -0.07 -0.39 -0.17 0.00 -1.56 0.00 0.00 55.97 53.78 1x5a s LYS 20 Cb -0.01 -1.81 0.08 0.00 -1.46 0.00 0.00 37.83 34.63 1x5a s LYS 20 CO 0.23 -0.30 0.54 0.21 0.16 0.00 0.00 175.35 176.19 1x5a s LYS 21 N 1.63 3.04 0.22 4.03 2.36 -1.26 -2.30 119.74 127.46 1x5a s LYS 21 Ca 0.04 -1.26 0.09 0.00 -2.55 0.00 0.00 55.97 52.29 1x5a s LYS 21 Cb -0.13 -4.17 -0.05 0.00 -1.05 0.00 0.00 37.83 32.43 1x5a s LYS 21 CO -0.09 -1.23 -0.17 -1.21 1.55 0.00 0.00 175.35 174.21 1x5a s GLU 22 N 2.13 1.43 0.34 4.03 2.02 -0.68 -4.66 118.70 123.31 1x5a s GLU 22 Ca 0.09 -1.61 0.13 0.00 0.02 0.00 0.00 54.97 53.60 1x5a s GLU 22 Cb -0.24 -1.36 0.61 0.00 0.10 0.00 0.00 34.13 33.24 1x5a s GLU 22 CO 0.08 0.25 1.74 -1.00 0.02 0.00 0.00 175.26 176.35 1x5a h PRO 23 N 2.61 0.00 -0.04 0.39 0.13 -1.91 -2.72 132.00 130.46 1x5a h PRO 23 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.63 1x5a h PRO 23 Cb 1.23 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.16 1x5a h PRO 23 CO 0.59 0.46 -0.77 0.54 -0.23 0.00 0.00 178.00 178.59 1x5a n ARG 24 N -3.90 0.98 -3.58 0.86 1.74 -1.26 -1.54 116.66 109.95 1x5a n ARG 24 Ca -0.01 -2.78 -0.11 0.00 -0.77 0.00 0.00 57.85 54.18 1x5a n ARG 24 Cb 0.49 -0.94 -0.06 0.00 -1.02 0.00 0.00 32.46 30.94 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 -1.86 0.62 -0.18 5.56 0.74 -1.22 -3.47 119.66 119.84 1x5a s GLN 25 Ca 0.36 0.24 -0.04 0.00 0.05 0.00 0.00 55.36 55.97 1x5a s GLN 25 Cb 0.38 0.29 0.09 0.00 1.10 0.00 0.00 33.01 34.87 1x5a s GLN 25 CO -0.11 -0.18 0.29 -0.51 -0.55 0.00 0.00 175.29 174.24 1x5a s LEU 26 N -0.88 -0.36 -0.11 3.68 1.43 -0.90 -1.68 118.68 119.87 1x5a s LEU 26 Ca -0.02 0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1x5a s LEU 26 Cb -0.01 0.77 -0.03 0.00 0.03 0.00 0.00 46.19 46.95 1x5a s LEU 26 CO 0.01 -0.28 0.01 -0.70 0.23 0.00 0.00 176.35 175.63 1x5a s GLU 27 N 2.44 3.26 0.03 1.70 2.12 -0.97 -2.50 118.70 124.78 1x5a s GLU 27 Ca 0.05 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1x5a s GLU 27 Cb -0.14 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1x5a s GLU 27 CO -0.12 0.58 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.64 1x5a s LEU 28 N -0.54 2.30 -0.11 2.70 1.43 -1.12 0.28 118.68 123.63 1x5a s LEU 28 Ca 0.09 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 1x5a s LEU 28 Cb -0.12 0.06 0.03 0.00 0.03 0.00 0.00 46.19 46.19 1x5a s LEU 28 CO 0.02 -0.34 0.28 0.28 0.23 0.00 0.00 176.35 176.81 1x5a s THR 29 N -1.98 -0.01 -0.20 5.49 -1.32 -1.15 -2.20 115.64 114.26 1x5a s THR 29 Ca -0.09 0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 1x5a s THR 29 Cb -0.06 -0.39 0.05 0.00 -1.51 0.00 0.00 72.50 70.58 1x5a s THR 29 CO -0.03 0.01 -0.08 -1.66 -2.21 0.00 0.00 174.62 170.65 1x5a s TRP 30 N 0.34 2.28 0.21 9.09 -2.14 -0.45 -3.28 118.94 124.99 1x5a s TRP 30 Ca -0.02 -1.54 0.02 0.00 2.66 0.00 0.00 56.10 57.22 1x5a s TRP 30 Cb -0.03 -1.57 -0.05 0.00 -3.10 0.00 0.00 33.47 28.72 1x5a s TRP 30 CO -0.01 -0.73 0.05 0.00 -2.66 0.00 0.00 176.95 173.59 1x5a s ALA 31 N 1.44 1.53 0.00 2.67 0.00 -1.26 -4.74 121.76 121.40 1x5a s ALA 31 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1x5a s ALA 31 Cb -0.17 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1x5a s ALA 31 CO -0.08 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1x5a n GLY 32 N -0.35 2.05 2.80 0.00 0.00 -1.26 -4.84 105.19 103.59 1x5a n GLY 32 Ca -0.03 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 2.99 0.10 1.61 1.04 -1.26 -4.56 113.70 113.62 1x5a s SER 33 Ca 0.00 -0.82 -0.34 0.00 0.48 0.00 0.00 55.95 55.27 1x5a s SER 33 Cb 0.00 -0.75 -0.14 0.00 0.10 0.00 0.00 66.02 65.23 1x5a s SER 33 CO 0.00 -0.27 1.57 0.03 0.98 0.00 0.00 173.24 175.55 1x5a h ARG 34 N 8.17 -0.77 -7.35 4.02 3.08 -2.00 -3.43 114.38 116.10 1x5a h ARG 34 Ca -0.18 0.05 -0.46 0.00 0.07 0.00 0.00 59.98 59.46 1x5a h ARG 34 Cb 1.11 0.17 0.16 0.00 0.08 0.00 0.00 29.97 31.49 1x5a h ARG 34 CO 0.36 -0.51 0.21 -1.25 -1.07 0.00 0.00 179.97 177.70 1x5a s PRO 35 N -5.84 0.63 -0.28 0.04 0.04 -1.26 -5.08 135.00 123.26 1x5a s PRO 35 Ca -0.17 0.60 -0.05 0.00 0.04 0.00 0.00 61.00 61.41 1x5a s PRO 35 Cb 0.06 -1.75 0.15 0.00 0.04 0.00 0.00 34.50 32.99 1x5a s PRO 35 CO 0.61 -2.61 0.56 1.03 0.04 0.00 0.00 177.00 176.63 1x5a s ARG 36 N -4.96 0.51 -0.05 4.56 0.52 -1.26 -5.16 118.95 113.11 1x5a s ARG 36 Ca 0.65 1.12 0.04 0.00 -0.52 0.00 0.00 55.73 57.02 1x5a s ARG 36 Cb -0.18 0.51 -0.00 0.00 0.52 0.00 0.00 34.95 35.80 1x5a s ARG 36 CO 0.57 -0.41 -0.19 1.21 0.02 0.00 0.00 175.30 176.50 1x5a s ASN 37 N 2.80 2.39 -0.69 0.23 3.84 -1.26 -5.08 114.94 117.17 1x5a s ASN 37 Ca 0.07 -0.40 -0.26 0.00 0.21 0.00 0.00 52.86 52.48 1x5a s ASN 37 Cb -0.13 -0.76 -0.03 0.00 -0.55 0.00 0.00 41.25 39.77 1x5a s ASN 37 CO -0.18 0.16 1.88 -2.16 -2.79 0.00 0.00 177.10 174.01 1x5a s PRO 38 N 0.11 2.61 0.00 0.43 0.04 -1.26 -4.57 135.00 132.35 1x5a s PRO 38 Ca -0.07 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1x5a s PRO 38 Cb -0.13 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.83 1x5a s PRO 38 CO 0.03 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1x5a n GLY 39 N 6.02 1.47 3.44 0.56 0.00 -1.26 -5.15 105.19 110.28 1x5a n GLY 39 Ca 0.26 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 1x5a n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5a s GLY 40 N 0.00 -0.51 -0.36 -0.02 0.00 -1.26 -5.13 107.32 100.04 1x5a s GLY 40 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.59 1x5a s GLY 40 CO 0.00 0.53 0.14 -1.31 0.00 0.00 0.00 173.10 172.46 1x5a s ASN 41 N -1.77 4.02 0.04 1.64 0.01 -1.26 -5.10 114.94 112.50 1x5a s ASN 41 Ca -0.07 -2.03 -0.03 0.00 -0.71 0.00 0.00 52.86 50.02 1x5a s ASN 41 Cb -0.01 -1.03 -0.02 0.00 0.41 0.00 0.00 41.25 40.61 1x5a s ASN 41 CO 0.01 -0.36 0.04 -0.76 -1.51 0.00 0.00 177.10 174.52 1x5a s LEU 42 N 1.11 2.05 0.43 0.60 1.43 -1.26 -5.10 118.68 117.94 1x5a s LEU 42 Ca 0.12 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1x5a s LEU 42 Cb -0.20 0.40 -0.04 0.00 0.03 0.00 0.00 46.19 46.38 1x5a s LEU 42 CO -0.15 -0.48 0.06 -0.94 0.23 0.00 0.00 176.35 175.07 1x5a s SER 43 N -2.15 3.31 -0.03 2.29 1.04 -1.26 -4.96 113.70 111.93 1x5a s SER 43 Ca -0.05 -1.57 -0.01 0.00 0.48 0.00 0.00 55.95 54.80 1x5a s SER 43 Cb -0.01 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1x5a s SER 43 CO -0.05 -0.78 0.07 -0.31 0.98 0.00 0.00 173.24 173.15 1x5a s TYR 44 N -3.05 -0.05 -0.27 5.02 2.02 -0.91 -1.94 117.35 118.17 1x5a s TYR 44 Ca 0.22 0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 57.02 1x5a s TYR 44 Cb 0.04 -0.12 -0.05 0.00 -0.40 0.00 0.00 41.96 41.43 1x5a s TYR 44 CO 0.11 -0.09 0.20 -2.00 -1.57 0.00 0.00 175.55 172.20 1x5a s GLU 45 N 0.78 3.98 -0.18 -0.62 2.12 -0.53 -0.77 118.70 123.48 1x5a s GLU 45 Ca -0.06 -0.28 -0.06 0.00 0.36 0.00 0.00 54.97 54.93 1x5a s GLU 45 Cb -0.09 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1x5a s GLU 45 CO -0.03 -0.14 0.03 -1.17 -0.54 0.00 0.00 175.26 173.42 1x5a s LEU 46 N 1.64 3.64 -0.21 2.70 1.98 -0.96 -2.45 118.68 125.02 1x5a s LEU 46 Ca 0.08 0.01 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 1x5a s LEU 46 Cb -0.15 -1.91 0.06 0.00 0.66 0.00 0.00 46.19 44.84 1x5a s LEU 46 CO 0.10 0.16 -0.02 -2.28 -1.89 0.00 0.00 176.35 172.42 1x5a s HIS 47 N 0.43 1.84 -0.22 5.38 5.65 -0.45 0.39 115.29 128.30 1x5a s HIS 47 Ca 0.01 -1.37 -0.08 0.00 0.25 0.00 0.00 55.06 53.87 1x5a s HIS 47 Cb -0.13 -1.35 -0.04 0.00 -1.18 0.00 0.00 32.58 29.88 1x5a s HIS 47 CO 0.01 -0.70 0.10 0.08 -0.65 0.00 0.00 174.74 173.58 1x5a s VAL 48 N 1.58 4.79 0.26 0.89 1.01 0.47 -2.33 120.40 127.07 1x5a s VAL 48 Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1x5a s VAL 48 Cb -0.18 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1x5a s VAL 48 CO -0.07 0.38 -0.00 -0.76 0.00 0.00 0.00 175.10 174.65 1x5a s LEU 49 N 1.03 3.21 0.28 3.92 1.02 0.46 -1.05 118.68 127.56 1x5a s LEU 49 Ca 0.05 -0.61 -0.10 0.00 0.02 0.00 0.00 54.13 53.48 1x5a s LEU 49 Cb -0.14 -1.75 0.00 0.00 0.02 0.00 0.00 46.19 44.33 1x5a s LEU 49 CO 0.03 0.01 0.50 0.21 0.02 0.00 0.00 176.35 177.12 1x5a s ASN 50 N -3.60 0.15 0.04 2.29 2.47 0.32 -1.36 114.94 115.25 1x5a s ASN 50 Ca 0.31 -1.08 -0.08 0.00 0.42 0.00 0.00 52.86 52.42 1x5a s ASN 50 Cb -0.07 0.62 -0.02 0.00 -1.45 0.00 0.00 41.25 40.34 1x5a s ASN 50 CO 0.20 -1.22 1.06 0.00 -3.72 0.00 0.00 177.10 173.42 1x5a n GLN 51 N -0.43 -0.11 -0.62 0.43 3.00 -1.26 -2.98 117.38 115.41 1x5a n GLN 51 Ca -0.01 1.05 0.06 0.00 -0.01 0.00 0.00 57.00 58.09 1x5a n GLN 51 Cb 0.62 -1.57 0.15 0.00 0.00 0.00 0.00 30.24 29.44 1x5a n GLN 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1x5a n ASP 52 N -3.55 1.62 -3.65 1.08 9.92 -1.26 -4.98 116.55 115.73 1x5a n ASP 52 Ca 0.01 -3.26 -0.23 0.00 -0.53 0.00 0.00 54.79 50.78 1x5a n ASP 52 Cb 0.07 -0.44 -0.17 0.00 -0.64 0.00 0.00 41.12 39.93 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 -2.38 0.02 -0.15 -1.24 2.02 -1.16 -5.12 118.70 110.69 1x5a s GLU 53 Ca 0.33 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1x5a s GLU 53 Cb 0.32 -1.17 0.03 0.00 0.10 0.00 0.00 34.13 33.41 1x5a s GLU 53 CO -0.06 -0.50 -0.10 -2.00 0.02 0.00 0.00 175.26 172.63 1x5a s GLU 54 N 2.15 1.87 0.02 1.61 2.12 -1.26 0.12 118.70 125.31 1x5a s GLU 54 Ca 0.03 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 1x5a s GLU 54 Cb -0.14 -2.00 -0.01 0.00 0.26 0.00 0.00 34.13 32.24 1x5a s GLU 54 CO -0.06 -0.32 0.03 1.67 -0.54 0.00 0.00 175.26 176.04 1x5a s TRP 55 N 1.56 0.19 -0.00 5.30 -2.14 -0.21 -5.02 118.94 118.62 1x5a s TRP 55 Ca 0.03 -0.41 0.03 0.00 2.66 0.00 0.00 56.10 58.41 1x5a s TRP 55 Cb -0.14 -0.15 -0.01 0.00 -3.10 0.00 0.00 33.47 30.08 1x5a s TRP 55 CO -0.09 -0.23 -0.10 -3.38 -2.66 0.00 0.00 176.95 170.49 1x5a s HIS 56 N -1.49 0.91 -0.04 1.66 -3.43 -1.26 -0.40 115.29 111.25 1x5a s HIS 56 Ca -0.15 -0.18 -0.02 0.00 -0.80 0.00 0.00 55.06 53.91 1x5a s HIS 56 Cb -0.09 -0.59 0.03 0.00 -1.43 0.00 0.00 32.58 30.51 1x5a s HIS 56 CO -0.00 -0.01 0.06 1.14 -2.00 0.00 0.00 174.74 173.93 1x5a s GLN 57 N -0.30 -0.05 -0.03 -0.38 -2.07 0.16 -4.98 119.66 112.01 1x5a s GLN 57 Ca 0.04 0.34 -0.30 0.00 -1.82 0.00 0.00 55.36 53.62 1x5a s GLN 57 Cb -0.04 -0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 31.45 1x5a s GLN 57 CO -0.00 -0.27 1.26 1.41 -1.32 0.00 0.00 175.29 176.36 1x5a s MET 58 N 1.80 4.34 -0.07 9.60 -2.45 -1.26 -2.25 119.30 129.01 1x5a s MET 58 Ca -0.00 1.76 0.03 0.00 -1.25 0.00 0.00 55.69 56.23 1x5a s MET 58 Cb -0.12 -3.55 -0.02 0.00 1.25 0.00 0.00 34.83 32.38 1x5a s MET 58 CO -0.03 -0.48 -0.15 0.14 1.05 0.00 0.00 175.02 175.55 1x5a s VAL 59 N 2.21 2.97 -0.85 10.11 -7.23 0.05 -4.91 120.40 122.75 1x5a s VAL 59 Ca 0.58 -0.74 0.10 0.00 -1.81 0.00 0.00 61.98 60.11 1x5a s VAL 59 Cb -0.27 -2.17 0.52 0.00 0.56 0.00 0.00 36.38 35.02 1x5a s VAL 59 CO 0.24 0.58 1.33 0.18 -0.31 0.00 0.00 175.10 177.11 1x5a n LEU 60 N 2.60 3.78 -3.90 1.32 4.77 -1.26 -2.15 117.00 122.16 1x5a n LEU 60 Ca -0.17 -1.91 -0.10 0.00 -0.03 0.00 0.00 56.01 53.79 1x5a n LEU 60 Cb 0.52 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1x5a n LEU 60 CO 0.26 0.53 -0.18 -1.83 -1.33 0.00 0.00 177.39 174.84 1x5a s GLU 61 N -1.98 0.58 0.00 3.23 1.03 -1.26 -4.92 118.70 115.39 1x5a s GLU 61 Ca 0.35 -0.64 0.14 0.00 0.03 0.00 0.00 54.97 54.85 1x5a s GLU 61 Cb 0.25 0.23 0.82 0.00 -0.80 0.00 0.00 34.13 34.63 1x5a s GLU 61 CO 0.13 -0.15 1.24 -0.35 -1.33 0.00 0.00 175.26 174.80 1x5a n PRO 62 N 0.94 0.49 -5.25 -4.83 -0.04 -1.26 -4.65 135.00 120.39 1x5a n PRO 62 Ca -0.20 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.95 1x5a n PRO 62 Cb 0.58 -1.44 -0.16 0.00 -0.04 0.00 0.00 33.50 32.44 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 2.31 -0.02 0.54 1.70 -1.26 -1.34 118.95 118.88 1x5a s ARG 63 Ca 0.20 -0.90 0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1x5a s ARG 63 Cb 0.09 -2.12 0.01 0.00 -0.57 0.00 0.00 34.95 32.36 1x5a s ARG 63 CO 0.16 0.50 -0.03 0.54 -1.08 0.00 0.00 175.30 175.38 1x5a s VAL 64 N -0.45 0.34 -0.27 4.99 0.11 -0.94 -4.95 120.40 119.24 1x5a s VAL 64 Ca 0.05 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 1x5a s VAL 64 Cb -0.11 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1x5a s VAL 64 CO 0.01 0.13 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.66 1x5a s LEU 65 N 0.30 3.44 -0.16 2.54 1.98 -1.26 -2.79 118.68 122.73 1x5a s LEU 65 Ca -0.03 -0.96 -0.07 0.00 -2.89 0.00 0.00 54.13 50.18 1x5a s LEU 65 Cb -0.06 -1.70 -0.04 0.00 0.66 0.00 0.00 46.19 45.05 1x5a s LEU 65 CO -0.00 -0.17 0.08 -0.76 -1.89 0.00 0.00 176.35 173.60 1x5a s LEU 66 N 1.32 3.93 0.43 -0.68 1.43 -1.04 -5.03 118.68 119.04 1x5a s LEU 66 Ca -0.01 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1x5a s LEU 66 Cb -0.18 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1x5a s LEU 66 CO -0.03 0.24 0.09 0.42 0.23 0.00 0.00 176.35 177.30 1x5a s THR 67 N -0.02 0.77 -1.22 5.49 -4.23 -1.26 -2.11 115.64 113.07 1x5a s THR 67 Ca 0.07 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1x5a s THR 67 Cb -0.12 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1x5a s THR 67 CO 0.01 0.00 1.03 0.29 -0.54 0.00 0.00 174.62 175.41 1x5a n LYS 68 N -1.00 -6.90 -3.66 3.99 5.02 -1.23 -4.96 118.16 109.43 1x5a n LYS 68 Ca -0.09 0.82 -0.20 0.00 -2.02 0.00 0.00 58.31 56.81 1x5a n LYS 68 Cb 0.65 -5.77 -0.02 0.00 -0.02 0.00 0.00 35.03 29.87 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 -6.54 3.76 -0.10 -0.35 1.43 -1.23 -5.04 118.68 110.62 1x5a s LEU 69 Ca 0.20 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1x5a s LEU 69 Cb -0.09 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1x5a s LEU 69 CO 0.71 -0.39 0.14 -1.10 0.23 0.00 0.00 176.35 175.94 1x5a s GLN 70 N -4.07 3.40 0.33 1.70 -1.52 -1.26 -4.33 119.66 113.91 1x5a s GLN 70 Ca 0.43 -0.19 -0.28 0.00 -1.95 0.00 0.00 55.36 53.37 1x5a s GLN 70 Cb -0.07 -3.14 -0.10 0.00 -0.22 0.00 0.00 33.01 29.48 1x5a s GLN 70 CO 0.29 0.75 1.22 -1.25 -0.25 0.00 0.00 175.29 176.05 1x5a s PRO 71 N -1.20 4.39 -1.14 2.91 0.04 -0.59 -3.49 135.00 135.92 1x5a s PRO 71 Ca 0.17 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 1x5a s PRO 71 Cb -0.12 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1x5a s PRO 71 CO 0.07 -0.09 0.97 -3.47 0.04 0.00 0.00 177.00 174.52 1x5a n ASP 72 N 0.80 -3.29 -4.10 6.66 -0.08 -0.82 -4.78 116.55 110.93 1x5a n ASP 72 Ca 0.00 -0.54 -0.16 0.00 -1.51 0.00 0.00 54.79 52.58 1x5a n ASP 72 Cb 0.43 -4.71 -0.12 0.00 2.34 0.00 0.00 41.12 39.06 1x5a n ASP 72 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1x5a s THR 73 N -3.32 0.81 -0.24 5.18 2.01 -1.23 -4.95 115.64 113.90 1x5a s THR 73 Ca 0.17 -1.02 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 1x5a s THR 73 Cb -0.07 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1x5a s THR 73 CO 0.67 -0.19 0.49 -0.89 -0.69 0.00 0.00 174.62 174.01 1x5a s THR 74 N -1.08 5.10 -0.21 -0.82 2.01 -1.26 -2.19 115.64 117.18 1x5a s THR 74 Ca -0.04 0.85 -0.01 0.00 0.31 0.00 0.00 61.69 62.80 1x5a s THR 74 Cb -0.09 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.63 1x5a s THR 74 CO 0.01 0.13 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.63 1x5a s TYR 75 N 2.06 2.92 -0.02 4.92 2.02 -0.89 -4.49 117.35 123.87 1x5a s TYR 75 Ca 0.21 -1.49 -0.24 0.00 -0.37 0.00 0.00 57.07 55.18 1x5a s TYR 75 Cb -0.16 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1x5a s TYR 75 CO 0.09 -0.73 0.72 0.42 -1.57 0.00 0.00 175.55 174.48 1x5a s ILE 76 N 1.33 4.91 0.01 2.71 -1.09 -0.46 -3.69 121.20 124.92 1x5a s ILE 76 Ca 0.03 1.50 0.05 0.00 -2.23 0.00 0.00 60.65 60.01 1x5a s ILE 76 Cb -0.15 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.66 1x5a s ILE 76 CO -0.08 0.31 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.08 1x5a s VAL 77 N 0.37 1.33 -0.13 2.92 1.01 -1.25 -0.40 120.40 124.25 1x5a s VAL 77 Ca 0.37 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1x5a s VAL 77 Cb -0.19 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.11 1x5a s VAL 77 CO 0.20 0.26 0.30 0.00 0.00 0.00 0.00 175.10 175.87 1x5a s ARG 78 N -0.69 0.27 0.00 2.72 1.70 -0.99 -3.28 118.95 118.69 1x5a s ARG 78 Ca 0.06 0.63 0.06 0.00 -0.47 0.00 0.00 55.73 56.00 1x5a s ARG 78 Cb -0.07 -0.08 -0.02 0.00 -0.57 0.00 0.00 34.95 34.21 1x5a s ARG 78 CO 0.00 -0.17 -0.18 0.54 -1.08 0.00 0.00 175.30 174.41 1x5a s VAL 79 N 1.36 1.45 0.04 4.99 0.11 -1.26 -1.34 120.40 125.74 1x5a s VAL 79 Ca -0.09 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1x5a s VAL 79 Cb -0.10 -1.23 -0.03 0.00 -1.53 0.00 0.00 36.38 33.50 1x5a s VAL 79 CO -0.10 0.33 -0.01 0.00 -3.33 0.00 0.00 175.10 171.99 1x5a s ARG 80 N -0.63 0.48 -0.13 1.54 1.70 -1.03 -3.57 118.95 117.32 1x5a s ARG 80 Ca 0.07 -0.91 -0.23 0.00 -0.47 0.00 0.00 55.73 54.19 1x5a s ARG 80 Cb -0.07 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.45 1x5a s ARG 80 CO -0.00 -0.09 0.70 0.99 -1.08 0.00 0.00 175.30 175.82 1x5a s THR 81 N -2.74 5.01 0.25 4.99 2.01 -1.26 -1.46 115.64 122.44 1x5a s THR 81 Ca -0.04 1.38 -0.28 0.00 0.31 0.00 0.00 61.69 63.06 1x5a s THR 81 Cb -0.01 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1x5a s THR 81 CO -0.06 0.17 0.91 -0.76 -0.69 0.00 0.00 174.62 174.19 1x5a s LEU 82 N 1.39 4.56 0.05 4.42 2.01 -0.82 -2.89 118.68 127.41 1x5a s LEU 82 Ca 0.34 1.85 0.02 0.00 0.01 0.00 0.00 54.13 56.36 1x5a s LEU 82 Cb -0.17 -3.65 -0.03 0.00 0.01 0.00 0.00 46.19 42.36 1x5a s LEU 82 CO 0.14 0.11 -0.07 0.42 1.01 0.00 0.00 176.35 177.97 1x5a s THR 83 N -1.28 0.53 0.21 5.49 -4.23 -1.26 -4.42 115.64 110.68 1x5a s THR 83 Ca 0.42 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1x5a s THR 83 Cb -0.24 -0.88 -0.01 0.00 1.34 0.00 0.00 72.50 72.71 1x5a s THR 83 CO 0.29 -0.54 1.57 1.55 -0.54 0.00 0.00 174.62 176.95 1x5a h PRO 84 N 4.08 0.61 -3.55 3.99 0.13 -1.99 -3.38 132.00 131.89 1x5a h PRO 84 Ca -0.35 -0.32 -0.63 0.00 -0.87 0.00 0.00 66.00 63.83 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 0.92 -0.70 -0.48 -0.23 0.00 0.00 178.00 177.98 1x5a s LEU 85 N -8.55 3.60 0.00 1.56 0.05 -1.26 -4.92 118.68 109.16 1x5a s LEU 85 Ca -0.08 -2.52 0.00 0.00 0.05 0.00 0.00 54.13 51.58 1x5a s LEU 85 Cb 0.12 -1.34 0.00 0.00 -2.05 0.00 0.00 46.19 42.92 1x5a s LEU 85 CO 0.83 -0.30 0.00 0.61 -0.55 0.00 0.00 176.35 176.94 1x5a n GLY 86 N 3.73 -2.48 3.76 -3.48 0.00 -1.26 -5.01 105.19 100.44 1x5a n GLY 86 Ca 0.05 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.05 4.45 1.01 1.61 0.04 -1.26 -4.68 135.00 136.12 1x5a s PRO 87 Ca 0.00 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1x5a s PRO 87 Cb 0.00 -3.13 0.16 0.00 0.04 0.00 0.00 34.50 31.57 1x5a s PRO 87 CO 0.00 -0.07 0.87 0.41 0.04 0.00 0.00 177.00 178.25 1x5a n GLY 88 N 1.17 -1.31 3.76 0.56 0.00 -1.14 -4.95 105.19 103.28 1x5a n GLY 88 Ca 0.01 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1x5a n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5a s PRO 89 N -4.27 2.13 -0.23 1.61 0.04 -1.26 -4.79 135.00 128.23 1x5a s PRO 89 Ca 0.64 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.55 1x5a s PRO 89 Cb -0.22 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 1x5a s PRO 89 CO 0.62 -1.72 0.88 -0.06 0.04 0.00 0.00 177.00 176.77 1x5a s PHE 90 N -2.91 3.33 0.76 0.56 0.08 -1.26 -4.68 117.98 113.86 1x5a s PHE 90 Ca 0.61 1.23 -0.17 0.00 0.12 0.00 0.00 56.93 58.73 1x5a s PHE 90 Cb -0.17 -3.10 -0.14 0.00 -0.57 0.00 0.00 43.02 39.04 1x5a s PHE 90 CO 0.56 -0.40 -0.36 -1.13 -0.10 0.00 0.00 175.22 173.80 1x5a n SER 91 N 5.97 -4.47 -4.75 1.36 3.41 -1.23 -4.85 113.62 109.06 1x5a n SER 91 Ca 0.07 0.43 -0.41 0.00 -0.26 0.00 0.00 58.87 58.70 1x5a n SER 91 Cb 0.47 -0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.68 4.42 -0.35 4.33 0.04 -1.26 -4.78 135.00 135.72 1x5a s PRO 92 Ca 0.50 2.05 -0.42 0.00 0.04 0.00 0.00 61.00 63.17 1x5a s PRO 92 Cb -0.34 -3.16 -0.17 0.00 0.04 0.00 0.00 34.50 30.87 1x5a s PRO 92 CO 0.73 -0.16 1.71 -0.40 0.04 0.00 0.00 177.00 178.92 1x5a n ASP 93 N 1.95 2.01 -4.51 6.66 5.75 -1.26 -4.86 116.55 122.28 1x5a n ASP 93 Ca 0.03 1.10 -0.42 0.00 -0.01 0.00 0.00 54.79 55.49 1x5a n ASP 93 Cb 0.43 -1.06 -0.09 0.00 -1.03 0.00 0.00 41.12 39.37 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 3.48 3.19 -0.50 2.11 3.76 -1.20 -4.91 115.29 121.21 1x5a s HIS 94 Ca 1.01 -0.19 -0.28 0.00 -0.15 0.00 0.00 55.06 55.45 1x5a s HIS 94 Cb -1.21 -2.77 -0.01 0.00 1.11 0.00 0.00 32.58 29.70 1x5a s HIS 94 CO 0.71 -0.56 1.69 -1.21 -0.85 0.00 0.00 174.74 174.52 1x5a s GLU 95 N 2.06 3.08 0.19 1.40 2.02 -1.26 -3.76 118.70 122.43 1x5a s GLU 95 Ca 0.12 0.84 0.11 0.00 0.02 0.00 0.00 54.97 56.05 1x5a s GLU 95 Cb -0.17 -4.24 -0.04 0.00 0.10 0.00 0.00 34.13 29.78 1x5a s GLU 95 CO 0.12 -2.18 -0.23 -0.06 0.02 0.00 0.00 175.26 172.93 1x5a s PHE 96 N 7.38 2.33 -0.01 1.61 0.08 -1.24 -4.45 117.98 123.68 1x5a s PHE 96 Ca 0.67 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 57.38 1x5a s PHE 96 Cb -0.15 -1.16 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 1x5a s PHE 96 CO 0.26 0.49 -0.04 0.50 -0.10 0.00 0.00 175.22 176.33 1x5a s ARG 97 N -2.65 0.45 0.63 0.44 3.52 -1.26 -2.09 118.95 117.99 1x5a s ARG 97 Ca 0.21 -0.14 -0.09 0.00 -0.13 0.00 0.00 55.73 55.58 1x5a s ARG 97 Cb -0.08 -0.46 0.14 0.00 -1.56 0.00 0.00 34.95 32.99 1x5a s ARG 97 CO 0.10 0.06 0.86 0.25 -0.81 0.00 0.00 175.30 175.76 1x5a n THR 98 N 3.23 0.00 -2.91 4.11 -2.24 -0.93 -4.91 114.28 110.62 1x5a n THR 98 Ca -0.16 -0.77 -0.38 0.00 -2.27 0.00 0.00 64.05 60.47 1x5a n THR 98 Cb 0.56 -1.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.21 1x5a n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x5a s SER 99 N -4.23 7.30 0.50 3.42 0.15 -1.03 -4.34 113.70 115.49 1x5a s SER 99 Ca 0.51 1.69 -0.21 0.00 0.70 0.00 0.00 55.95 58.63 1x5a s SER 99 Cb -0.02 -2.52 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1x5a s SER 99 CO 0.35 0.05 1.15 -2.16 1.20 0.00 0.00 173.24 173.82 1x5a s PRO 100 N -1.74 3.54 0.96 5.44 0.04 -1.26 -1.95 135.00 140.04 1x5a s PRO 100 Ca 0.44 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 1x5a s PRO 100 Cb -0.20 -2.19 0.17 0.00 0.04 0.00 0.00 34.50 32.32 1x5a s PRO 100 CO 0.24 -0.71 1.09 -1.25 0.04 0.00 0.00 177.00 176.42 1x5a s PRO 101 N -3.01 0.72 0.63 0.56 0.04 -1.26 -4.87 135.00 127.81 1x5a s PRO 101 Ca 0.69 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1x5a s PRO 101 Cb -0.26 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1x5a s PRO 101 CO 0.30 -2.56 1.24 -1.12 0.04 0.00 0.00 177.00 174.90 1x5a s SER 102 N -3.43 4.82 0.05 6.66 0.01 -1.26 -5.03 113.70 115.52 1x5a s SER 102 Ca 0.65 2.46 0.07 0.00 1.31 0.00 0.00 55.95 60.44 1x5a s SER 102 Cb -0.18 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.41 1x5a s SER 102 CO 0.57 -1.85 -0.19 -0.83 0.41 0.00 0.00 173.24 171.36 1x5a s GLY 103 N -1.60 1.56 1.20 3.44 0.00 -1.26 -5.13 107.32 105.52 1x5a s GLY 103 Ca 0.79 -1.22 -0.19 0.00 0.00 0.00 0.00 44.72 44.10 1x5a s GLY 103 CO 0.37 -1.11 1.11 2.56 0.00 0.00 0.00 173.10 176.03 1x5a s PRO 104 N -1.47 -1.17 0.13 2.90 0.04 -1.26 -4.91 135.00 129.26 1x5a s PRO 104 Ca 0.14 -0.05 -0.35 0.00 0.04 0.00 0.00 61.00 60.79 1x5a s PRO 104 Cb -0.10 -1.60 -0.15 0.00 0.04 0.00 0.00 34.50 32.68 1x5a s PRO 104 CO 0.05 -3.68 1.39 0.45 0.04 0.00 0.00 177.00 175.25 1x5a n SER 105 N -4.74 2.14 -0.03 6.66 2.88 -1.26 -4.90 113.62 114.36 1x5a n SER 105 Ca 0.13 1.11 -0.18 0.00 -1.33 0.00 0.00 58.87 58.60 1x5a n SER 105 Cb 0.59 -1.29 -0.13 0.00 -0.75 0.00 0.00 64.21 62.63 1x5a n SER 105 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5a h SER 106 N 4.78 0.18 -0.02 -3.46 0.87 -2.07 -3.57 113.55 110.26 1x5a h SER 106 Ca -0.46 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.21 1x5a h SER 106 Cb 1.31 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1x5a h SER 106 CO 0.80 1.27 0.00 0.61 -0.53 0.00 0.00 176.83 178.98