#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 -0.03 -0.32 1.61 7.64 -1.26 -4.83 113.62 116.44 1x5a n SER 2 Ca 0.00 1.14 -0.06 0.00 1.01 0.00 0.00 58.87 60.96 1x5a n SER 2 Cb 0.00 -1.12 -0.02 0.00 -1.01 0.00 0.00 64.21 62.06 1x5a n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x5a h SER 3 N 1.45 -1.60 0.00 6.43 0.02 -2.09 -3.45 113.55 114.31 1x5a h SER 3 Ca -0.34 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1x5a h SER 3 Cb 1.39 0.76 0.00 0.00 0.14 0.00 0.00 62.40 64.69 1x5a h SER 3 CO 0.58 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 1x5a n GLY 4 N -1.40 2.69 3.02 -3.77 0.00 -1.26 -4.14 105.19 100.33 1x5a n GLY 4 Ca 0.05 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.00 4.84 0.14 1.61 0.15 -1.26 -5.07 113.70 110.11 1x5a s SER 5 Ca 0.00 -3.08 0.05 0.00 0.70 0.00 0.00 55.95 53.62 1x5a s SER 5 Cb 0.00 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 1x5a s SER 5 CO 0.00 -0.27 -0.11 -0.94 1.20 0.00 0.00 173.24 173.12 1x5a s SER 6 N 0.01 1.82 -1.09 5.45 1.04 -1.26 -5.06 113.70 114.60 1x5a s SER 6 Ca 0.18 -0.95 -0.24 0.00 0.48 0.00 0.00 55.95 55.43 1x5a s SER 6 Cb -0.21 -0.02 -0.10 0.00 0.10 0.00 0.00 66.02 65.79 1x5a s SER 6 CO -0.04 -0.28 1.99 -0.83 0.98 0.00 0.00 173.24 175.06 1x5a s GLY 7 N -2.94 -0.06 0.03 7.32 0.00 -1.26 -4.70 107.32 105.71 1x5a s GLY 7 Ca 0.14 -1.86 -0.18 0.00 0.00 0.00 0.00 44.72 42.82 1x5a s GLY 7 CO 0.01 3.68 1.18 0.00 0.00 0.00 0.00 173.10 177.97 1x5a h ALA 8 N 10.47 0.15 -1.31 3.20 0.00 -1.99 -3.42 119.26 126.36 1x5a h ALA 8 Ca 0.15 -0.55 -0.40 0.00 0.00 0.00 0.00 54.91 54.12 1x5a h ALA 8 Cb 0.96 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1x5a h ALA 8 CO 1.18 0.40 1.23 -1.21 0.00 0.00 0.00 179.25 180.85 1x5a s GLU 9 N -3.47 2.27 -0.29 0.00 2.02 -1.26 -4.85 118.70 113.13 1x5a s GLU 9 Ca -0.13 0.81 -0.24 0.00 0.02 0.00 0.00 54.97 55.43 1x5a s GLU 9 Cb 0.05 -4.59 0.16 0.00 0.10 0.00 0.00 34.13 29.84 1x5a s GLU 9 CO 0.83 -3.25 1.24 0.45 0.02 0.00 0.00 175.26 174.56 1x5a s SER 10 N 10.10 -0.24 -0.26 -0.19 0.15 -1.26 -4.57 113.70 117.43 1x5a s SER 10 Ca 0.83 0.46 -0.16 0.00 0.70 0.00 0.00 55.95 57.78 1x5a s SER 10 Cb -0.14 0.51 -0.14 0.00 -1.71 0.00 0.00 66.02 64.54 1x5a s SER 10 CO 0.19 -0.08 -0.21 0.00 1.20 0.00 0.00 173.24 174.34 1x5a n LEU 11 N 1.97 1.93 -2.63 3.45 -0.00 -1.26 -4.74 117.00 115.73 1x5a n LEU 11 Ca -0.12 0.36 -0.09 0.00 -0.00 0.00 0.00 56.01 56.17 1x5a n LEU 11 Cb 0.56 -0.86 0.03 0.00 -0.00 0.00 0.00 43.42 43.16 1x5a n LEU 11 CO 0.02 0.47 0.00 -1.54 -0.00 0.00 0.00 177.39 176.34 1x5a n SER 12 N -4.31 2.34 -1.53 1.45 3.41 -1.26 -4.95 113.62 108.78 1x5a n SER 12 Ca -0.48 -2.66 -0.07 0.00 -0.26 0.00 0.00 58.87 55.40 1x5a n SER 12 Cb 0.82 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1x5a n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5a n GLY 13 N -0.44 0.44 2.52 5.00 0.00 -1.26 -4.59 105.19 106.86 1x5a n GLY 13 Ca 0.16 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.96 3.91 -4.46 0.99 4.77 -1.26 -3.41 117.00 115.57 1x5a n LEU 14 Ca -0.01 -5.49 -0.44 0.00 -0.03 0.00 0.00 56.01 50.04 1x5a n LEU 14 Cb 0.52 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1x5a n LEU 14 CO 0.21 2.12 1.14 -0.94 -1.33 0.00 0.00 177.39 178.58 1x5a s SER 15 N -2.68 6.79 -0.67 -1.43 1.04 -1.26 -4.79 113.70 110.69 1x5a s SER 15 Ca 0.42 -2.38 -0.28 0.00 0.48 0.00 0.00 55.95 54.18 1x5a s SER 15 Cb 0.17 -2.40 -0.17 0.00 0.10 0.00 0.00 66.02 63.72 1x5a s SER 15 CO -0.03 -0.96 2.03 0.18 0.98 0.00 0.00 173.24 175.44 1x5a n LEU 16 N 6.26 0.35 -4.81 2.42 4.77 -1.26 -4.84 117.00 119.89 1x5a n LEU 16 Ca 0.29 0.27 -0.37 0.00 -0.03 0.00 0.00 56.01 56.17 1x5a n LEU 16 Cb 0.47 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1x5a n LEU 16 CO 0.55 -0.59 -0.04 -0.75 -1.33 0.00 0.00 177.39 175.22 1x5a s LYS 17 N 6.46 3.87 -0.69 3.23 2.47 -1.23 -5.00 119.74 128.86 1x5a s LYS 17 Ca 1.05 0.09 -0.23 0.00 -1.56 0.00 0.00 55.97 55.32 1x5a s LYS 17 Cb -1.08 -3.28 0.07 0.00 -1.46 0.00 0.00 37.83 32.08 1x5a s LYS 17 CO 0.44 0.57 1.03 -1.17 0.16 0.00 0.00 175.35 176.37 1x5a s LEU 18 N -0.52 4.21 -0.05 5.43 2.96 -1.26 -2.55 118.68 126.90 1x5a s LEU 18 Ca 0.18 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 53.07 1x5a s LEU 18 Cb -0.14 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1x5a s LEU 18 CO 0.06 -1.49 0.29 0.58 -1.32 0.00 0.00 176.35 174.47 1x5a h VAL 19 N 5.99 0.00 -3.48 1.68 2.07 -1.76 -3.46 116.25 117.29 1x5a h VAL 19 Ca -0.26 -0.63 -0.59 0.00 0.82 0.00 0.00 66.70 66.04 1x5a h VAL 19 Cb 1.06 0.00 -0.33 0.00 -1.52 0.00 0.00 31.29 30.51 1x5a h VAL 19 CO 1.20 0.00 -0.85 -0.75 0.02 0.00 0.00 177.57 177.19 1x5a s LYS 20 N -2.21 2.27 -0.45 1.57 2.47 -0.59 -5.02 119.74 117.78 1x5a s LYS 20 Ca -0.03 -0.64 -0.00 0.00 -1.56 0.00 0.00 55.97 53.74 1x5a s LYS 20 Cb 0.00 -1.80 0.12 0.00 -1.46 0.00 0.00 37.83 34.69 1x5a s LYS 20 CO 0.09 0.13 0.22 0.21 0.16 0.00 0.00 175.35 176.16 1x5a s LYS 21 N 0.42 1.98 0.18 4.03 2.20 -1.26 -2.12 119.74 125.16 1x5a s LYS 21 Ca -0.14 -2.09 0.05 0.00 -0.36 0.00 0.00 55.97 53.43 1x5a s LYS 21 Cb -0.16 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1x5a s LYS 21 CO 0.06 -1.06 0.15 -1.21 -0.36 0.00 0.00 175.35 172.92 1x5a s GLU 22 N 0.63 2.92 0.47 4.03 2.02 -0.41 -3.73 118.70 124.63 1x5a s GLU 22 Ca 0.12 -0.89 0.25 0.00 0.02 0.00 0.00 54.97 54.47 1x5a s GLU 22 Cb -0.22 -2.64 1.08 0.00 0.10 0.00 0.00 34.13 32.45 1x5a s GLU 22 CO -0.04 0.47 1.89 -1.00 0.02 0.00 0.00 175.26 176.60 1x5a h PRO 23 N 2.27 0.00 0.00 0.39 0.13 -1.89 -3.17 132.00 129.74 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x5a h PRO 23 CO 0.63 0.19 -0.14 0.54 -0.23 0.00 0.00 178.00 178.99 1x5a n ARG 24 N -3.43 1.05 -3.49 0.86 1.74 -1.26 -1.46 116.66 110.67 1x5a n ARG 24 Ca -0.00 -1.50 -0.12 0.00 -0.77 0.00 0.00 57.85 55.46 1x5a n ARG 24 Cb 0.38 -0.92 -0.03 0.00 -1.02 0.00 0.00 32.46 30.87 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 -1.10 1.19 -0.16 5.56 0.74 -1.20 -3.13 119.66 121.56 1x5a s GLN 25 Ca 0.10 -0.48 -0.10 0.00 0.05 0.00 0.00 55.36 54.92 1x5a s GLN 25 Cb 0.09 0.54 0.05 0.00 1.10 0.00 0.00 33.01 34.79 1x5a s GLN 25 CO 0.01 -0.50 0.39 -0.51 -0.55 0.00 0.00 175.29 174.14 1x5a s LEU 26 N -2.64 0.08 -0.09 3.68 1.43 0.37 -1.28 118.68 120.23 1x5a s LEU 26 Ca 0.00 0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1x5a s LEU 26 Cb -0.00 1.31 0.02 0.00 0.03 0.00 0.00 46.19 47.55 1x5a s LEU 26 CO -0.11 -0.18 -0.05 -0.70 0.23 0.00 0.00 176.35 175.54 1x5a s GLU 27 N 1.12 1.21 0.42 1.70 2.12 -0.90 -0.07 118.70 124.30 1x5a s GLU 27 Ca -0.07 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.17 1x5a s GLU 27 Cb -0.07 -1.32 -0.06 0.00 0.26 0.00 0.00 34.13 32.94 1x5a s GLU 27 CO -0.09 -0.23 0.05 -0.51 -0.54 0.00 0.00 175.26 173.93 1x5a s LEU 28 N 1.61 2.85 -0.23 2.70 1.43 -1.11 -1.54 118.68 124.39 1x5a s LEU 28 Ca 0.02 -1.35 -0.06 0.00 -1.03 0.00 0.00 54.13 51.71 1x5a s LEU 28 Cb -0.13 -0.99 0.11 0.00 0.03 0.00 0.00 46.19 45.22 1x5a s LEU 28 CO -0.05 -0.53 0.45 0.28 0.23 0.00 0.00 176.35 176.73 1x5a s THR 29 N -2.71 -0.71 -0.28 5.49 -1.32 -1.06 -3.52 115.64 111.53 1x5a s THR 29 Ca 0.33 0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.90 1x5a s THR 29 Cb 0.08 -0.77 0.06 0.00 -1.51 0.00 0.00 72.50 70.36 1x5a s THR 29 CO 0.17 0.01 -0.05 -1.66 -2.21 0.00 0.00 174.62 170.88 1x5a s TRP 30 N 2.65 3.34 0.07 9.09 -2.14 -0.77 -3.49 118.94 127.68 1x5a s TRP 30 Ca 0.03 -2.32 0.00 0.00 2.66 0.00 0.00 56.10 56.47 1x5a s TRP 30 Cb -0.13 -2.14 0.00 0.00 -3.10 0.00 0.00 33.47 28.10 1x5a s TRP 30 CO -0.15 -0.88 0.00 0.00 -2.66 0.00 0.00 176.95 173.27 1x5a n ALA 31 N 4.45 3.00 -0.31 2.67 0.00 -1.26 -4.75 120.51 124.31 1x5a n ALA 31 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1x5a n ALA 31 Cb 0.42 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1x5a n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x5a n GLY 32 N 2.67 1.08 3.47 0.00 0.00 -1.22 -4.31 105.19 106.88 1x5a n GLY 32 Ca 0.00 0.68 -0.32 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.00 4.00 -0.01 1.61 1.04 -1.24 -5.09 113.70 110.01 1x5a s SER 33 Ca 0.00 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.27 1x5a s SER 33 Cb 0.00 -0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.28 1x5a s SER 33 CO 0.00 0.33 -0.22 -0.60 0.98 0.00 0.00 173.24 173.73 1x5a s ARG 34 N -0.83 1.76 0.12 4.02 3.52 -1.26 -4.85 118.95 121.43 1x5a s ARG 34 Ca 0.12 -0.80 -0.31 0.00 -0.13 0.00 0.00 55.73 54.61 1x5a s ARG 34 Cb -0.11 -1.71 -0.08 0.00 -1.56 0.00 0.00 34.95 31.49 1x5a s ARG 34 CO 0.01 0.47 1.35 -1.25 -0.81 0.00 0.00 175.30 175.07 1x5a s PRO 35 N -0.58 4.34 -1.11 5.12 0.04 -1.26 -4.97 135.00 136.59 1x5a s PRO 35 Ca 0.08 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1x5a s PRO 35 Cb -0.09 -3.25 0.29 0.00 0.04 0.00 0.00 34.50 31.49 1x5a s PRO 35 CO -0.01 -0.38 1.22 -2.13 0.04 0.00 0.00 177.00 175.74 1x5a n ARG 36 N 3.72 3.81 -3.61 4.56 0.00 -1.26 -4.95 116.66 118.92 1x5a n ARG 36 Ca 0.10 -4.49 -0.10 0.00 -0.00 0.00 0.00 57.85 53.37 1x5a n ARG 36 Cb 0.43 -2.54 -0.06 0.00 0.00 0.00 0.00 32.46 30.29 1x5a n ARG 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1x5a s ASN 37 N 0.45 -0.43 0.07 6.15 2.20 -1.26 -5.15 114.94 116.97 1x5a s ASN 37 Ca 0.31 0.71 -0.31 0.00 -0.94 0.00 0.00 52.86 52.63 1x5a s ASN 37 Cb -0.06 0.67 -0.07 0.00 -2.00 0.00 0.00 41.25 39.80 1x5a s ASN 37 CO -0.03 -0.23 1.39 -2.16 -2.94 0.00 0.00 177.10 173.13 1x5a s PRO 38 N -0.27 4.31 0.31 3.55 0.04 -1.26 -5.01 135.00 136.67 1x5a s PRO 38 Ca 0.01 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1x5a s PRO 38 Cb -0.03 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1x5a s PRO 38 CO -0.03 -0.48 0.36 0.20 0.04 0.00 0.00 177.00 177.10 1x5a s GLY 39 N 1.39 1.71 0.00 0.56 0.00 -1.26 -5.13 107.32 104.59 1x5a s GLY 39 Ca 0.64 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1x5a s GLY 39 CO 0.29 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.81 1x5a n GLY 40 N -0.53 -1.87 3.50 0.20 0.00 -1.26 -4.99 105.19 100.24 1x5a n GLY 40 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1x5a n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5a s ASN 41 N -1.93 -0.79 0.50 1.61 2.20 -1.26 -5.17 114.94 110.09 1x5a s ASN 41 Ca 0.00 1.32 0.06 0.00 -0.94 0.00 0.00 52.86 53.30 1x5a s ASN 41 Cb 0.00 1.52 0.02 0.00 -2.00 0.00 0.00 41.25 40.78 1x5a s ASN 41 CO 0.00 -0.22 0.40 -0.76 -2.94 0.00 0.00 177.10 173.57 1x5a s LEU 42 N 2.12 2.95 0.34 3.54 1.43 -1.26 -4.96 118.68 122.85 1x5a s LEU 42 Ca -0.07 -1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 51.91 1x5a s LEU 42 Cb -0.09 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.67 1x5a s LEU 42 CO -0.17 -0.94 0.50 -0.94 0.23 0.00 0.00 176.35 175.03 1x5a s SER 43 N -4.22 0.80 -0.04 2.29 1.04 -1.26 -5.04 113.70 107.27 1x5a s SER 43 Ca 0.40 -1.44 0.01 0.00 0.48 0.00 0.00 55.95 55.41 1x5a s SER 43 Cb -0.02 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.79 1x5a s SER 43 CO 0.24 -1.32 -0.06 -0.31 0.98 0.00 0.00 173.24 172.77 1x5a s TYR 44 N -3.04 0.81 -0.27 5.02 2.02 -0.91 -1.44 117.35 119.54 1x5a s TYR 44 Ca 0.29 -0.23 -0.11 0.00 -0.37 0.00 0.00 57.07 56.65 1x5a s TYR 44 Cb -0.01 -0.69 -0.05 0.00 -0.40 0.00 0.00 41.96 40.82 1x5a s TYR 44 CO 0.19 -0.18 0.18 -2.00 -1.57 0.00 0.00 175.55 172.17 1x5a s GLU 45 N 0.81 3.98 -0.14 -0.62 2.56 -1.18 -1.11 118.70 122.99 1x5a s GLU 45 Ca -0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 54.97 54.51 1x5a s GLU 45 Cb -0.14 -3.63 -0.03 0.00 2.00 0.00 0.00 34.13 32.33 1x5a s GLU 45 CO 0.01 -0.12 -0.02 -1.17 -0.56 0.00 0.00 175.26 173.40 1x5a s LEU 46 N 1.58 3.36 -0.23 2.70 1.98 -1.16 -3.03 118.68 123.89 1x5a s LEU 46 Ca 0.07 -0.05 -0.01 0.00 -2.89 0.00 0.00 54.13 51.25 1x5a s LEU 46 Cb -0.15 -1.80 0.07 0.00 0.66 0.00 0.00 46.19 44.96 1x5a s LEU 46 CO 0.09 0.22 0.02 -2.28 -1.89 0.00 0.00 176.35 172.51 1x5a s HIS 47 N 0.07 1.54 -0.10 5.38 5.65 -0.46 -0.30 115.29 127.07 1x5a s HIS 47 Ca 0.01 -1.28 -0.04 0.00 0.25 0.00 0.00 55.06 54.00 1x5a s HIS 47 Cb -0.13 -1.31 -0.04 0.00 -1.18 0.00 0.00 32.58 29.92 1x5a s HIS 47 CO 0.02 -0.71 0.06 0.08 -0.65 0.00 0.00 174.74 173.54 1x5a s VAL 48 N 1.68 4.79 -0.08 0.89 1.01 0.17 -2.34 120.40 126.53 1x5a s VAL 48 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1x5a s VAL 48 Cb -0.18 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1x5a s VAL 48 CO -0.11 0.60 -0.17 -0.76 0.00 0.00 0.00 175.10 174.67 1x5a s LEU 49 N -0.87 1.83 0.43 3.92 1.02 -0.47 -0.73 118.68 123.81 1x5a s LEU 49 Ca 0.13 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 53.96 1x5a s LEU 49 Cb -0.12 -1.07 0.01 0.00 0.02 0.00 0.00 46.19 45.03 1x5a s LEU 49 CO 0.03 0.09 0.56 0.21 0.02 0.00 0.00 176.35 177.25 1x5a s ASN 50 N 0.52 5.57 0.02 2.29 3.84 0.28 -1.80 114.94 125.67 1x5a s ASN 50 Ca -0.16 -0.48 -0.05 0.00 0.21 0.00 0.00 52.86 52.38 1x5a s ASN 50 Cb -0.17 -0.61 -0.01 0.00 -0.55 0.00 0.00 41.25 39.92 1x5a s ASN 50 CO 0.06 -0.77 0.96 0.00 -2.79 0.00 0.00 177.10 174.56 1x5a n GLN 51 N -1.83 -0.07 -1.56 0.43 1.13 -1.26 -2.24 117.38 111.98 1x5a n GLN 51 Ca 0.08 0.96 -0.18 0.00 -1.94 0.00 0.00 57.00 55.92 1x5a n GLN 51 Cb 0.59 -1.43 0.08 0.00 0.11 0.00 0.00 30.24 29.59 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 -3.26 4.38 -3.81 1.08 8.00 -1.26 -5.02 116.55 116.67 1x5a n ASP 52 Ca 0.00 -3.79 -0.10 0.00 0.71 0.00 0.00 54.79 51.62 1x5a n ASP 52 Cb 0.04 -0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 40.61 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 -3.52 1.30 -0.25 -1.24 0.41 -0.95 -5.17 118.70 109.28 1x5a s GLU 53 Ca 0.50 -0.96 -0.13 0.00 -0.41 0.00 0.00 54.97 53.97 1x5a s GLU 53 Cb 0.41 0.47 0.08 0.00 -1.78 0.00 0.00 34.13 33.32 1x5a s GLU 53 CO 0.01 -0.53 0.60 -2.00 -0.49 0.00 0.00 175.26 172.85 1x5a s GLU 54 N -3.90 0.59 0.01 1.61 2.12 -1.26 0.10 118.70 117.97 1x5a s GLU 54 Ca 0.11 1.14 -0.09 0.00 0.36 0.00 0.00 54.97 56.49 1x5a s GLU 54 Cb 0.00 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.59 1x5a s GLU 54 CO -0.02 -0.16 0.18 1.67 -0.54 0.00 0.00 175.26 176.38 1x5a s TRP 55 N 1.78 0.02 0.05 5.30 -2.14 0.09 -4.98 118.94 119.06 1x5a s TRP 55 Ca -0.09 -0.13 0.06 0.00 2.66 0.00 0.00 56.10 58.61 1x5a s TRP 55 Cb -0.07 -0.03 -0.03 0.00 -3.10 0.00 0.00 33.47 30.25 1x5a s TRP 55 CO -0.18 -0.35 -0.18 -3.38 -2.66 0.00 0.00 176.95 170.21 1x5a s HIS 56 N -1.75 1.58 -0.18 1.66 -3.43 -1.26 -0.65 115.29 111.26 1x5a s HIS 56 Ca -0.12 -0.37 -0.04 0.00 -0.80 0.00 0.00 55.06 53.73 1x5a s HIS 56 Cb -0.05 -0.93 0.09 0.00 -1.43 0.00 0.00 32.58 30.25 1x5a s HIS 56 CO 0.00 0.08 0.24 1.14 -2.00 0.00 0.00 174.74 174.21 1x5a s GLN 57 N -1.26 0.18 0.10 -0.38 -2.07 0.59 -4.99 119.66 111.83 1x5a s GLN 57 Ca 0.05 0.40 -0.31 0.00 -1.82 0.00 0.00 55.36 53.68 1x5a s GLN 57 Cb -0.09 -0.76 -0.07 0.00 -1.09 0.00 0.00 33.01 31.00 1x5a s GLN 57 CO 0.02 -0.53 1.31 1.41 -1.32 0.00 0.00 175.29 176.17 1x5a s MET 58 N 2.37 4.37 0.15 9.60 -2.45 -1.26 -3.00 119.30 129.08 1x5a s MET 58 Ca 0.06 1.95 0.11 0.00 -1.25 0.00 0.00 55.69 56.56 1x5a s MET 58 Cb -0.14 -3.28 -0.04 0.00 1.25 0.00 0.00 34.83 32.61 1x5a s MET 58 CO -0.11 -0.35 -0.25 0.14 1.05 0.00 0.00 175.02 175.50 1x5a s VAL 59 N 0.99 2.20 -0.13 10.11 -7.23 -0.27 -4.92 120.40 121.15 1x5a s VAL 59 Ca 0.62 -1.83 0.18 0.00 -1.81 0.00 0.00 61.98 59.14 1x5a s VAL 59 Cb -0.34 -1.98 -0.18 0.00 0.56 0.00 0.00 36.38 34.44 1x5a s VAL 59 CO 0.30 -0.01 0.64 0.18 -0.31 0.00 0.00 175.10 175.90 1x5a n LEU 60 N 0.70 0.58 -4.88 1.32 4.77 -1.26 -2.14 117.00 116.09 1x5a n LEU 60 Ca -0.16 0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 1x5a n LEU 60 Cb 0.54 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 1x5a n LEU 60 CO 0.25 0.18 0.33 -1.83 -1.33 0.00 0.00 177.39 174.99 1x5a s GLU 61 N -2.94 3.75 0.00 3.23 1.03 -1.26 -4.74 118.70 117.77 1x5a s GLU 61 Ca -0.05 0.29 0.11 0.00 0.03 0.00 0.00 54.97 55.35 1x5a s GLU 61 Cb 0.09 -2.52 0.65 0.00 -0.80 0.00 0.00 34.13 31.55 1x5a s GLU 61 CO 0.83 0.11 1.09 -0.35 -1.33 0.00 0.00 175.26 175.60 1x5a n PRO 62 N -0.96 0.49 -3.84 -4.83 -0.04 -1.26 -4.74 135.00 119.82 1x5a n PRO 62 Ca 0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 1x5a n PRO 62 Cb 0.54 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1x5a n PRO 62 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x5a n ARG 63 N -0.85 0.78 -3.64 0.54 -4.01 -1.26 -1.86 116.66 106.37 1x5a n ARG 63 Ca 0.08 -2.61 -0.09 0.00 -1.04 0.00 0.00 57.85 54.19 1x5a n ARG 63 Cb 0.04 1.22 -0.07 0.00 -3.04 0.00 0.00 32.46 30.61 1x5a n ARG 63 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1x5a s VAL 64 N -2.60 0.00 -0.33 8.89 0.11 -1.23 -4.91 120.40 120.33 1x5a s VAL 64 Ca 0.11 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1x5a s VAL 64 Cb 0.01 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.92 1x5a s VAL 64 CO 0.08 0.00 0.06 -0.22 -3.33 0.00 0.00 175.10 171.69 1x5a s LEU 65 N 0.75 4.29 -0.04 2.54 1.98 -1.26 -2.75 118.68 124.18 1x5a s LEU 65 Ca -0.03 -1.46 -0.15 0.00 -2.89 0.00 0.00 54.13 49.60 1x5a s LEU 65 Cb -0.05 -1.76 -0.05 0.00 0.66 0.00 0.00 46.19 44.99 1x5a s LEU 65 CO -0.08 -0.34 0.41 -0.76 -1.89 0.00 0.00 176.35 173.69 1x5a s LEU 66 N 1.24 4.41 0.00 -0.68 1.43 0.91 -4.94 118.68 121.04 1x5a s LEU 66 Ca -0.01 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.00 1x5a s LEU 66 Cb -0.20 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1x5a s LEU 66 CO -0.02 0.23 0.09 0.35 0.23 0.00 0.00 176.35 177.24 1x5a n THR 67 N 2.40 0.00 -3.88 5.49 -2.24 -1.26 -0.48 114.28 114.31 1x5a n THR 67 Ca -0.12 -1.40 -0.25 0.00 -2.27 0.00 0.00 64.05 60.02 1x5a n THR 67 Cb 0.52 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1x5a n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x5a n LYS 68 N -0.53 -3.88 -2.63 -0.78 5.02 -1.18 -4.92 118.16 109.26 1x5a n LYS 68 Ca -0.03 0.48 -0.13 0.00 -2.02 0.00 0.00 58.31 56.60 1x5a n LYS 68 Cb 0.36 -4.78 0.01 0.00 -0.02 0.00 0.00 35.03 30.59 1x5a n LYS 68 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x5a n LEU 69 N -4.37 0.00 -4.37 -0.35 4.77 -1.23 -5.06 117.00 106.39 1x5a n LEU 69 Ca -0.28 -1.51 -0.31 0.00 -0.03 0.00 0.00 56.01 53.88 1x5a n LEU 69 Cb 0.67 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.56 1x5a n LEU 69 CO 0.73 -0.46 -0.55 -1.10 -1.33 0.00 0.00 177.39 174.68 1x5a s GLN 70 N -3.25 1.95 0.57 3.23 -1.52 -1.25 -4.61 119.66 114.78 1x5a s GLN 70 Ca 0.19 -1.03 -0.18 0.00 -1.95 0.00 0.00 55.36 52.39 1x5a s GLN 70 Cb -0.02 -2.05 -0.05 0.00 -0.22 0.00 0.00 33.01 30.68 1x5a s GLN 70 CO 0.12 0.53 1.13 -1.25 -0.25 0.00 0.00 175.29 175.57 1x5a s PRO 71 N -1.14 3.24 -1.34 2.91 0.04 -0.53 -3.71 135.00 134.47 1x5a s PRO 71 Ca 0.12 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 1x5a s PRO 71 Cb -0.10 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 1x5a s PRO 71 CO 0.02 -0.93 0.55 -3.47 0.04 0.00 0.00 177.00 173.21 1x5a n ASP 72 N -1.54 -1.33 -3.91 6.66 2.03 -1.12 -4.84 116.55 112.50 1x5a n ASP 72 Ca 0.11 -0.96 -0.15 0.00 0.52 0.00 0.00 54.79 54.31 1x5a n ASP 72 Cb 0.51 -3.35 -0.15 0.00 -0.72 0.00 0.00 41.12 37.41 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 -3.81 0.27 -0.24 5.18 2.01 -1.24 -4.97 115.64 112.83 1x5a s THR 73 Ca 0.08 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.72 1x5a s THR 73 Cb -0.03 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1x5a s THR 73 CO 0.87 0.10 0.89 -0.89 -0.69 0.00 0.00 174.62 174.89 1x5a s THR 74 N 0.18 4.79 -0.24 -0.82 2.01 -1.26 -2.78 115.64 117.52 1x5a s THR 74 Ca -0.02 1.68 0.01 0.00 0.31 0.00 0.00 61.69 63.67 1x5a s THR 74 Cb -0.04 -4.17 0.04 0.00 0.01 0.00 0.00 72.50 68.33 1x5a s THR 74 CO -0.00 -0.12 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.38 1x5a s TYR 75 N 2.96 3.08 0.28 4.92 2.02 -0.06 -4.35 117.35 126.19 1x5a s TYR 75 Ca 0.37 -1.96 -0.29 0.00 -0.37 0.00 0.00 57.07 54.82 1x5a s TYR 75 Cb -0.15 -1.96 -0.09 0.00 -0.40 0.00 0.00 41.96 39.36 1x5a s TYR 75 CO 0.07 -0.83 1.06 0.42 -1.57 0.00 0.00 175.55 174.70 1x5a s ILE 76 N 1.20 3.63 -0.02 2.71 -1.09 -0.74 -3.81 121.20 123.07 1x5a s ILE 76 Ca -0.03 1.62 -0.01 0.00 -2.23 0.00 0.00 60.65 60.00 1x5a s ILE 76 Cb -0.17 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1x5a s ILE 76 CO -0.07 0.37 0.05 -0.69 -1.23 0.00 0.00 174.94 173.37 1x5a s VAL 77 N -1.20 -0.02 -0.08 2.92 1.01 -1.24 -1.37 120.40 120.42 1x5a s VAL 77 Ca 0.44 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 1x5a s VAL 77 Cb -0.30 -0.09 0.04 0.00 0.00 0.00 0.00 36.38 36.03 1x5a s VAL 77 CO 0.38 0.03 0.17 0.00 0.00 0.00 0.00 175.10 175.68 1x5a s ARG 78 N 0.43 0.09 0.32 2.72 1.70 -0.99 -3.60 118.95 119.62 1x5a s ARG 78 Ca -0.03 0.45 0.05 0.00 -0.47 0.00 0.00 55.73 55.73 1x5a s ARG 78 Cb -0.05 -0.19 -0.06 0.00 -0.57 0.00 0.00 34.95 34.08 1x5a s ARG 78 CO -0.01 -0.20 0.01 0.54 -1.08 0.00 0.00 175.30 174.56 1x5a s VAL 79 N 1.49 1.44 0.17 4.99 0.11 -1.26 -1.36 120.40 125.99 1x5a s VAL 79 Ca -0.06 -2.04 -0.12 0.00 -2.93 0.00 0.00 61.98 56.83 1x5a s VAL 79 Cb -0.12 -2.71 0.05 0.00 -1.53 0.00 0.00 36.38 32.07 1x5a s VAL 79 CO -0.06 -0.10 0.62 -2.11 -3.33 0.00 0.00 175.10 170.11 1x5a n ARG 80 N -0.69 0.54 -3.66 1.54 1.85 -1.17 -3.33 116.66 111.75 1x5a n ARG 80 Ca -0.04 -1.14 -0.37 0.00 -1.00 0.00 0.00 57.85 55.30 1x5a n ARG 80 Cb 0.66 1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 33.48 1x5a n ARG 80 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1x5a s THR 81 N -2.30 4.13 0.44 8.89 2.01 -1.26 -3.13 115.64 124.42 1x5a s THR 81 Ca 0.13 -3.40 -0.21 0.00 0.31 0.00 0.00 61.69 58.52 1x5a s THR 81 Cb -0.02 -3.61 -0.14 0.00 0.01 0.00 0.00 72.50 68.74 1x5a s THR 81 CO 0.05 -0.99 0.24 0.18 -0.69 0.00 0.00 174.62 173.41 1x5a n LEU 82 N 2.92 -1.75 -4.26 4.42 4.77 -0.52 -4.67 117.00 117.90 1x5a n LEU 82 Ca 0.15 0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 56.73 1x5a n LEU 82 Cb 0.38 -0.98 -0.12 0.00 -2.33 0.00 0.00 43.42 40.37 1x5a n LEU 82 CO 0.35 -3.77 -0.49 0.42 -1.33 0.00 0.00 177.39 172.57 1x5a s THR 83 N -1.67 1.55 0.12 -5.08 -4.23 -1.26 -4.14 115.64 100.93 1x5a s THR 83 Ca 0.61 -1.60 -0.13 0.00 -1.18 0.00 0.00 61.69 59.39 1x5a s THR 83 Cb -0.59 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.68 1x5a s THR 83 CO 0.61 -0.20 1.45 1.55 -0.54 0.00 0.00 174.62 177.48 1x5a h PRO 84 N 3.86 0.83 -3.90 3.99 0.13 -1.94 -3.39 132.00 131.57 1x5a h PRO 84 Ca -0.43 -0.44 -0.63 0.00 -0.87 0.00 0.00 66.00 63.64 1x5a h PRO 84 Cb 1.19 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1x5a h PRO 84 CO 0.44 1.07 -0.72 -0.51 -0.23 0.00 0.00 178.00 178.05 1x5a s LEU 85 N -8.93 3.62 0.00 1.56 1.43 -1.26 -4.91 118.68 110.19 1x5a s LEU 85 Ca -0.12 -2.19 0.00 0.00 -1.03 0.00 0.00 54.13 50.79 1x5a s LEU 85 Cb 0.10 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1x5a s LEU 85 CO 0.86 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.69 1x5a n GLY 86 N 4.16 -1.40 3.76 -3.19 0.00 -1.26 -5.06 105.19 102.20 1x5a n GLY 86 Ca 0.03 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.44 2.05 0.59 1.61 0.04 -1.26 -4.72 135.00 132.86 1x5a s PRO 87 Ca 0.00 1.10 0.05 0.00 0.04 0.00 0.00 61.00 62.19 1x5a s PRO 87 Cb 0.00 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.74 1x5a s PRO 87 CO 0.00 -1.77 0.81 0.20 0.04 0.00 0.00 177.00 176.28 1x5a s GLY 88 N -3.40 1.79 0.95 0.56 0.00 -1.26 -4.97 107.32 100.99 1x5a s GLY 88 Ca 0.62 -1.81 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 1x5a s GLY 88 CO 0.56 -1.39 1.09 2.56 0.00 0.00 0.00 173.10 175.92 1x5a s PRO 89 N -4.76 0.84 -0.16 2.90 0.04 -1.26 -5.01 135.00 127.58 1x5a s PRO 89 Ca 0.61 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 1x5a s PRO 89 Cb -0.07 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1x5a s PRO 89 CO 0.39 -2.49 0.30 -0.06 0.04 0.00 0.00 177.00 175.18 1x5a s PHE 90 N -2.95 3.46 0.70 0.56 0.08 -1.26 -4.85 117.98 113.72 1x5a s PHE 90 Ca 0.64 0.61 -0.16 0.00 0.12 0.00 0.00 56.93 58.14 1x5a s PHE 90 Cb -0.18 -2.36 -0.13 0.00 -0.57 0.00 0.00 43.02 39.78 1x5a s PHE 90 CO 0.57 0.23 -0.46 -1.13 -0.10 0.00 0.00 175.22 174.33 1x5a n SER 91 N 3.60 -4.49 -4.75 1.36 3.41 -1.21 -4.83 113.62 106.72 1x5a n SER 91 Ca -0.12 0.34 -0.41 0.00 -0.26 0.00 0.00 58.87 58.43 1x5a n SER 91 Cb 0.52 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.41 4.42 -0.65 4.33 0.04 -1.26 -4.82 135.00 135.65 1x5a s PRO 92 Ca 0.42 2.05 -0.40 0.00 0.04 0.00 0.00 61.00 63.12 1x5a s PRO 92 Cb -0.28 -3.17 -0.20 0.00 0.04 0.00 0.00 34.50 30.89 1x5a s PRO 92 CO 0.68 -0.18 2.32 -0.40 0.04 0.00 0.00 177.00 179.46 1x5a n ASP 93 N 2.06 0.66 -4.53 6.66 5.75 -1.26 -4.84 116.55 121.05 1x5a n ASP 93 Ca 0.04 0.51 -0.43 0.00 -0.01 0.00 0.00 54.79 54.90 1x5a n ASP 93 Cb 0.43 -0.92 -0.06 0.00 -1.03 0.00 0.00 41.12 39.54 1x5a n ASP 93 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1x5a s HIS 94 N 7.01 3.02 -0.46 2.11 3.76 -1.24 -4.99 115.29 124.50 1x5a s HIS 94 Ca 1.24 0.02 -0.27 0.00 -0.15 0.00 0.00 55.06 55.90 1x5a s HIS 94 Cb -1.40 -3.51 -0.02 0.00 1.11 0.00 0.00 32.58 28.76 1x5a s HIS 94 CO 0.60 -0.94 1.83 -2.00 -0.85 0.00 0.00 174.74 173.38 1x5a s GLU 95 N 3.05 3.00 0.07 1.40 2.12 -1.26 -3.71 118.70 123.37 1x5a s GLU 95 Ca 0.26 1.05 0.10 0.00 0.36 0.00 0.00 54.97 56.73 1x5a s GLU 95 Cb -0.13 -4.28 -0.03 0.00 0.26 0.00 0.00 34.13 29.94 1x5a s GLU 95 CO 0.20 -2.27 -0.26 -0.06 -0.54 0.00 0.00 175.26 172.33 1x5a s PHE 96 N 7.95 2.27 -0.02 5.30 0.08 -1.25 -5.03 117.98 127.27 1x5a s PHE 96 Ca 0.74 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 57.41 1x5a s PHE 96 Cb -0.17 -1.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1x5a s PHE 96 CO 0.28 0.20 -0.09 0.50 -0.10 0.00 0.00 175.22 176.01 1x5a s ARG 97 N -1.53 0.89 0.56 0.44 3.52 -1.26 -0.89 118.95 120.68 1x5a s ARG 97 Ca 0.12 -0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 55.32 1x5a s ARG 97 Cb -0.10 -0.84 -0.05 0.00 -1.56 0.00 0.00 34.95 32.40 1x5a s ARG 97 CO 0.03 0.12 0.95 0.95 -0.81 0.00 0.00 175.30 176.54 1x5a s THR 98 N 0.15 4.72 0.40 4.11 -4.23 -1.12 -4.93 115.64 114.74 1x5a s THR 98 Ca -0.02 0.79 -0.25 0.00 -1.18 0.00 0.00 61.69 61.03 1x5a s THR 98 Cb -0.08 -3.83 -0.11 0.00 1.34 0.00 0.00 72.50 69.82 1x5a s THR 98 CO 0.00 -0.95 0.99 -0.24 -0.54 0.00 0.00 174.62 173.88 1x5a n SER 99 N -2.32 1.18 -4.77 3.99 2.88 -1.22 -3.73 113.62 109.63 1x5a n SER 99 Ca 0.05 1.05 -0.36 0.00 -1.33 0.00 0.00 58.87 58.28 1x5a n SER 99 Cb 0.54 -1.33 -0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 -1.91 3.54 1.05 -1.46 0.04 -1.26 -2.79 135.00 132.21 1x5a s PRO 100 Ca 0.62 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.21 1x5a s PRO 100 Cb -0.58 -2.19 0.21 0.00 0.04 0.00 0.00 34.50 31.98 1x5a s PRO 100 CO 0.58 -0.71 1.10 -1.25 0.04 0.00 0.00 177.00 176.75 1x5a s PRO 101 N -3.02 0.02 0.91 0.56 0.04 -1.26 -4.87 135.00 127.38 1x5a s PRO 101 Ca 0.69 0.38 -0.15 0.00 0.04 0.00 0.00 61.00 61.95 1x5a s PRO 101 Cb -0.26 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1x5a s PRO 101 CO 0.30 -2.98 -0.11 -1.13 0.04 0.00 0.00 177.00 173.13 1x5a n SER 102 N -4.32 -3.69 -3.73 6.66 3.41 -1.26 -5.02 113.62 105.67 1x5a n SER 102 Ca 0.06 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.87 1x5a n SER 102 Cb 0.58 -1.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 1x5a n SER 102 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5a s GLY 103 N -1.45 -0.25 0.40 5.00 0.00 -1.26 -5.15 107.32 104.60 1x5a s GLY 103 Ca 0.51 0.74 -0.25 0.00 0.00 0.00 0.00 44.72 45.72 1x5a s GLY 103 CO 0.72 0.54 1.19 2.56 0.00 0.00 0.00 173.10 178.11 1x5a s PRO 104 N -0.70 4.03 -0.87 2.90 0.04 -1.26 -5.00 135.00 134.14 1x5a s PRO 104 Ca -0.08 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 1x5a s PRO 104 Cb -0.04 -2.68 0.21 0.00 0.04 0.00 0.00 34.50 32.04 1x5a s PRO 104 CO 0.03 -0.35 0.75 0.45 0.04 0.00 0.00 177.00 177.92 1x5a s SER 105 N -1.09 5.85 0.70 6.66 0.15 -1.26 -5.07 113.70 119.64 1x5a s SER 105 Ca 0.57 -3.77 -0.10 0.00 0.70 0.00 0.00 55.95 53.35 1x5a s SER 105 Cb -0.32 -1.87 0.02 0.00 -1.71 0.00 0.00 66.02 62.15 1x5a s SER 105 CO 0.40 -0.16 1.07 -0.94 1.20 0.00 0.00 173.24 174.81 1x5a s SER 106 N -0.37 5.34 0.00 5.45 1.04 -1.26 -5.39 113.70 118.51 1x5a s SER 106 Ca 0.27 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.69 1x5a s SER 106 Cb -0.06 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1x5a s SER 106 CO -0.13 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.33