#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5l h SER 2 N 0.00 -1.95 -2.21 1.61 0.87 -2.10 -3.38 113.55 106.38 1x5l h SER 2 Ca 0.00 0.28 -0.58 0.00 -1.23 0.00 0.00 61.79 60.26 1x5l h SER 2 Cb 0.00 0.84 0.03 0.00 -0.44 0.00 0.00 62.40 62.83 1x5l h SER 2 CO 0.00 -0.28 1.06 -1.20 -0.53 0.00 0.00 176.83 175.88 1x5l n SER 3 N -5.17 3.60 -3.01 6.23 7.64 -1.26 -4.92 113.62 116.73 1x5l n SER 3 Ca -0.00 0.99 -0.17 0.00 1.01 0.00 0.00 58.87 60.69 1x5l n SER 3 Cb 0.28 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.02 1x5l n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5l n GLY 4 N 4.20 1.63 0.05 0.23 0.00 -1.26 -4.99 105.19 105.04 1x5l n GLY 4 Ca 0.20 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 1x5l n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x5l h SER 5 N 4.05 0.00 -1.98 1.61 0.02 -1.97 -3.45 113.55 111.83 1x5l h SER 5 Ca -0.02 -0.10 -0.63 0.00 -0.84 0.00 0.00 61.79 60.20 1x5l h SER 5 Cb 0.95 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.52 1x5l h SER 5 CO 0.40 0.56 0.91 -1.20 -1.14 0.00 0.00 176.83 176.35 1x5l n SER 6 N -4.76 2.98 0.00 3.07 7.64 -1.26 -4.69 113.62 116.59 1x5l n SER 6 Ca -0.01 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1x5l n SER 6 Cb 0.05 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 1x5l n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5l n GLY 7 N 3.88 -0.32 3.67 0.23 0.00 -1.26 -5.16 105.19 106.23 1x5l n GLY 7 Ca 0.21 0.39 -0.23 0.00 0.00 0.00 0.00 46.02 46.39 1x5l n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5l s GLN 8 N 0.00 2.37 0.51 1.61 1.11 -1.26 -5.13 119.66 118.87 1x5l s GLN 8 Ca 0.00 -1.40 -0.13 0.00 0.01 0.00 0.00 55.36 53.84 1x5l s GLN 8 Cb 0.00 -2.20 -0.06 0.00 -1.01 0.00 0.00 33.01 29.73 1x5l s GLN 8 CO 0.00 0.34 0.93 0.00 0.01 0.00 0.00 175.29 176.57 1x5l s ALA 9 N -2.32 3.16 0.36 6.09 0.00 -1.25 -4.90 121.76 122.90 1x5l s ALA 9 Ca 0.32 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 1x5l s ALA 9 Cb -0.06 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1x5l s ALA 9 CO 0.21 -0.31 0.79 0.00 0.00 0.00 0.00 175.76 176.45 1x5l s ALA 10 N -2.71 3.26 0.51 0.00 0.00 -1.26 -4.46 121.76 117.10 1x5l s ALA 10 Ca 0.55 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 1x5l s ALA 10 Cb -0.10 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1x5l s ALA 10 CO 0.38 0.22 1.14 -1.25 0.00 0.00 0.00 175.76 176.25 1x5l s PRO 11 N -3.19 3.52 0.11 0.00 0.04 -1.09 -4.60 135.00 129.79 1x5l s PRO 11 Ca 0.55 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 1x5l s PRO 11 Cb -0.10 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 1x5l s PRO 11 CO 0.19 -0.73 1.29 -1.54 0.04 0.00 0.00 177.00 176.26 1x5l s SER 12 N -1.61 6.95 -0.06 6.66 1.04 0.27 -4.74 113.70 122.22 1x5l s SER 12 Ca 0.69 2.21 -0.34 0.00 0.48 0.00 0.00 55.95 58.99 1x5l s SER 12 Cb -0.26 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.15 1x5l s SER 12 CO 0.30 -0.54 1.83 1.67 0.98 0.00 0.00 173.24 177.48 1x5l n GLN 13 N 3.63 2.12 -1.68 4.02 7.27 -1.26 -4.78 117.38 126.71 1x5l n GLN 13 Ca 0.09 0.77 -0.47 0.00 0.07 0.00 0.00 57.00 57.47 1x5l n GLN 13 Cb 0.44 -2.60 -0.04 0.00 2.41 0.00 0.00 30.24 30.45 1x5l n GLN 13 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1x5l n VAL 14 N 4.87 0.64 -0.83 1.69 0.31 -1.26 -4.85 118.33 118.90 1x5l n VAL 14 Ca 0.22 -0.11 0.08 0.00 -0.01 0.00 0.00 64.34 64.52 1x5l n VAL 14 Cb 0.28 -2.00 0.25 0.00 -0.91 0.00 0.00 33.84 31.47 1x5l n VAL 14 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1x5l n VAL 15 N 5.27 2.07 -3.87 2.52 0.24 -1.26 -4.46 118.33 118.84 1x5l n VAL 15 Ca 0.22 -1.67 -0.28 0.00 -2.04 0.00 0.00 64.34 60.57 1x5l n VAL 15 Cb 0.33 -0.11 -0.16 0.00 -1.47 0.00 0.00 33.84 32.42 1x5l n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x5l s VAL 16 N -2.46 1.05 -0.04 3.34 0.11 -1.26 -5.03 120.40 116.10 1x5l s VAL 16 Ca 0.40 -0.64 -0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1x5l s VAL 16 Cb 0.31 -1.27 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1x5l s VAL 16 CO 0.11 0.07 0.11 -0.63 -3.33 0.00 0.00 175.10 171.43 1x5l s ILE 17 N 1.65 -0.01 -0.01 7.04 1.01 -1.26 -3.18 121.20 126.44 1x5l s ILE 17 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1x5l s ILE 17 Cb -0.16 -0.17 -0.00 0.00 0.01 0.00 0.00 42.46 42.14 1x5l s ILE 17 CO -0.07 0.02 -0.06 -0.13 0.00 0.00 0.00 174.94 174.70 1x5l s ARG 18 N 0.35 0.49 -0.53 2.79 0.52 0.02 -4.99 118.95 117.60 1x5l s ARG 18 Ca -0.02 -0.20 -0.19 0.00 -0.52 0.00 0.00 55.73 54.79 1x5l s ARG 18 Cb -0.04 -0.48 0.07 0.00 0.52 0.00 0.00 34.95 35.03 1x5l s ARG 18 CO -0.01 0.12 0.64 -1.14 0.02 0.00 0.00 175.30 174.93 1x5l s GLN 19 N -0.08 3.10 0.04 3.54 0.74 -1.26 -0.19 119.66 125.55 1x5l s GLN 19 Ca 0.02 -0.99 -0.24 0.00 0.05 0.00 0.00 55.36 54.19 1x5l s GLN 19 Cb -0.03 -4.14 -0.13 0.00 1.10 0.00 0.00 33.01 29.81 1x5l s GLN 19 CO -0.00 -1.30 1.37 0.93 -0.55 0.00 0.00 175.29 175.74 1x5l h GLU 20 N 9.04 -0.79 -2.99 1.67 5.08 -1.82 -3.46 114.58 121.30 1x5l h GLU 20 Ca -0.28 0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1x5l h GLU 20 Cb 1.09 0.18 -0.21 0.00 0.50 0.00 0.00 28.75 30.31 1x5l h GLU 20 CO 1.00 -0.53 -0.28 1.03 -1.00 0.00 0.00 179.01 179.23 1x5l s ARG 21 N -4.93 0.61 -0.31 2.33 1.81 -1.26 -5.02 118.95 112.19 1x5l s ARG 21 Ca -0.13 -0.03 0.03 0.00 -1.72 0.00 0.00 55.73 53.88 1x5l s ARG 21 Cb 0.02 0.28 0.09 0.00 -0.45 0.00 0.00 34.95 34.88 1x5l s ARG 21 CO 0.39 -0.15 0.01 0.00 -0.68 0.00 0.00 175.30 174.87 1x5l s ALA 22 N -0.98 2.57 0.50 2.13 0.00 -1.26 -1.01 121.76 123.71 1x5l s ALA 22 Ca -0.10 -2.16 0.06 0.00 0.00 0.00 0.00 51.96 49.75 1x5l s ALA 22 Cb -0.05 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.28 1x5l s ALA 22 CO 0.03 -1.54 0.31 0.20 0.00 0.00 0.00 175.76 174.76 1x5l s GLY 23 N 1.08 2.42 0.23 0.00 0.00 -0.33 -4.32 107.32 106.39 1x5l s GLY 23 Ca 0.05 -1.39 -0.32 0.00 0.00 0.00 0.00 44.72 43.06 1x5l s GLY 23 CO -0.09 -1.94 1.48 -1.06 0.00 0.00 0.00 173.10 171.48 1x5l n GLN 24 N -1.57 2.16 -2.90 2.90 3.00 -1.26 -1.46 117.38 118.25 1x5l n GLN 24 Ca -0.03 0.77 -0.09 0.00 -0.01 0.00 0.00 57.00 57.64 1x5l n GLN 24 Cb 0.64 -2.47 -0.02 0.00 0.00 0.00 0.00 30.24 28.39 1x5l n GLN 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1x5l n THR 25 N 2.33 0.00 -3.66 5.09 -2.24 -1.26 -4.82 114.28 109.72 1x5l n THR 25 Ca 0.13 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1x5l n THR 25 Cb 0.32 -0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.37 1x5l n THR 25 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5l s SER 26 N -2.24 -0.47 -0.23 3.42 1.04 -0.54 -1.22 113.70 113.47 1x5l s SER 26 Ca 0.17 0.64 -0.14 0.00 0.48 0.00 0.00 55.95 57.10 1x5l s SER 26 Cb -0.10 0.66 0.07 0.00 0.10 0.00 0.00 66.02 66.75 1x5l s SER 26 CO 0.21 -0.40 0.57 -0.69 0.98 0.00 0.00 173.24 173.90 1x5l s VAL 27 N -0.70 -0.01 -0.19 5.02 1.01 -0.38 -1.19 120.40 123.96 1x5l s VAL 27 Ca -0.08 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 1x5l s VAL 27 Cb -0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 1x5l s VAL 27 CO 0.05 0.01 0.11 -0.55 0.00 0.00 0.00 175.10 174.72 1x5l s SER 28 N 1.41 6.02 -0.08 3.32 0.15 -0.18 0.74 113.70 125.07 1x5l s SER 28 Ca -0.09 0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.78 1x5l s SER 28 Cb -0.06 -2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1x5l s SER 28 CO -0.15 0.18 -0.19 -0.76 1.20 0.00 0.00 173.24 173.52 1x5l s LEU 29 N 0.37 2.43 -0.30 3.45 1.43 -0.62 -2.35 118.68 123.09 1x5l s LEU 29 Ca 0.06 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1x5l s LEU 29 Cb -0.11 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.70 1x5l s LEU 29 CO -0.01 0.23 0.06 -0.22 0.23 0.00 0.00 176.35 176.64 1x5l s LEU 30 N -0.06 2.99 0.00 1.79 2.96 0.73 -3.35 118.68 123.73 1x5l s LEU 30 Ca -0.04 -1.68 0.04 0.00 -0.22 0.00 0.00 54.13 52.23 1x5l s LEU 30 Cb -0.14 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 1x5l s LEU 30 CO 0.04 -0.37 -0.11 -1.66 -1.32 0.00 0.00 176.35 172.93 1x5l s TRP 31 N 1.38 2.76 0.18 5.38 -2.14 -1.22 -0.80 118.94 124.48 1x5l s TRP 31 Ca 0.07 -0.12 -0.10 0.00 2.66 0.00 0.00 56.10 58.61 1x5l s TRP 31 Cb -0.18 -1.57 -0.07 0.00 -3.10 0.00 0.00 33.47 28.55 1x5l s TRP 31 CO -0.16 0.31 0.50 -1.14 -2.66 0.00 0.00 176.95 173.79 1x5l s GLN 32 N -1.30 3.81 0.59 3.25 2.00 -1.19 -4.82 119.66 122.01 1x5l s GLN 32 Ca 0.15 0.26 -0.18 0.00 -2.00 0.00 0.00 55.36 53.60 1x5l s GLN 32 Cb -0.11 -2.79 -0.07 0.00 0.80 0.00 0.00 33.01 30.85 1x5l s GLN 32 CO 0.06 0.41 0.72 0.39 -0.50 0.00 0.00 175.29 176.37 1x5l n GLU 33 N 0.27 0.66 -2.24 1.67 1.02 -1.26 -4.79 120.64 115.96 1x5l n GLU 33 Ca -0.02 0.26 -0.41 0.00 -0.02 0.00 0.00 57.16 56.97 1x5l n GLU 33 Cb 0.52 -1.92 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 1x5l n GLU 33 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1x5l s PRO 34 N -2.44 4.44 0.36 3.49 0.04 -1.26 -4.92 135.00 134.71 1x5l s PRO 34 Ca 0.72 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.94 1x5l s PRO 34 Cb -0.43 -3.14 0.93 0.00 0.04 0.00 0.00 34.50 31.91 1x5l s PRO 34 CO 0.51 -0.10 1.79 1.05 0.04 0.00 0.00 177.00 180.29 1x5l h GLU 35 N 4.09 0.55 -3.44 4.56 4.11 -1.91 -3.33 114.58 119.21 1x5l h GLU 35 Ca -0.47 -0.03 -0.56 0.00 0.07 0.00 0.00 59.36 58.36 1x5l h GLU 35 Cb 1.22 -0.12 -0.40 0.00 0.50 0.00 0.00 28.75 29.95 1x5l h GLU 35 CO 0.69 0.36 -0.76 -0.65 0.07 0.00 0.00 179.01 178.72 1x5l s GLN 36 N -5.65 0.63 0.23 1.06 -1.52 -1.26 -5.00 119.66 108.16 1x5l s GLN 36 Ca -0.10 -0.87 0.00 0.00 -1.95 0.00 0.00 55.36 52.45 1x5l s GLN 36 Cb 0.25 -1.88 0.25 0.00 -0.22 0.00 0.00 33.01 31.41 1x5l s GLN 36 CO 0.80 -0.92 1.60 -1.00 -0.25 0.00 0.00 175.29 175.52 1x5l h PRO 37 N 8.17 0.48 -6.07 2.91 0.13 -1.92 0.80 132.00 136.49 1x5l h PRO 37 Ca -0.15 -0.25 -0.42 0.00 -0.87 0.00 0.00 66.00 64.30 1x5l h PRO 37 Cb 1.03 0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.22 1x5l h PRO 37 CO 0.44 0.82 -0.78 0.09 -0.23 0.00 0.00 178.00 178.34 1x5l n ASN 38 N -4.01 -3.14 0.00 1.44 3.02 -1.26 -2.69 115.26 108.62 1x5l n ASN 38 Ca -0.02 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1x5l n ASN 38 Cb 0.52 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 1x5l n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5l n GLY 39 N -1.62 0.87 3.68 7.41 0.00 -1.26 -3.97 105.19 110.31 1x5l n GLY 39 Ca -0.15 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 1x5l n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5l s ILE 40 N -2.12 5.33 -0.43 -0.61 1.09 -1.26 -5.06 121.20 118.14 1x5l s ILE 40 Ca 0.00 0.32 -0.21 0.00 -1.10 0.00 0.00 60.65 59.67 1x5l s ILE 40 Cb 0.00 -3.55 0.02 0.00 -1.06 0.00 0.00 42.46 37.87 1x5l s ILE 40 CO 0.00 0.35 0.64 -0.63 -0.10 0.00 0.00 174.94 175.20 1x5l s ILE 41 N 0.93 4.83 0.01 2.92 1.01 -1.26 -3.95 121.20 125.69 1x5l s ILE 41 Ca 0.11 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.74 1x5l s ILE 41 Cb -0.13 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 1x5l s ILE 41 CO 0.04 -0.57 0.97 -0.07 0.00 0.00 0.00 174.94 175.31 1x5l h LEU 42 N 9.67 -0.56 -7.24 2.97 3.38 -1.89 -3.48 115.31 118.15 1x5l h LEU 42 Ca -0.26 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1x5l h LEU 42 Cb 1.10 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 1x5l h LEU 42 CO 0.89 -0.29 0.03 -1.83 0.09 0.00 0.00 178.44 177.33 1x5l s GLU 43 N -3.95 1.14 -0.15 1.13 -1.05 -1.26 -4.85 118.70 109.71 1x5l s GLU 43 Ca -0.10 -0.58 -0.09 0.00 -0.15 0.00 0.00 54.97 54.05 1x5l s GLU 43 Cb 0.01 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 1x5l s GLU 43 CO 0.29 -0.46 0.15 0.71 0.95 0.00 0.00 175.26 176.90 1x5l s TYR 44 N -3.66 3.53 -0.13 4.83 1.51 0.10 -3.52 117.35 120.01 1x5l s TYR 44 Ca 0.01 0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 56.49 1x5l s TYR 44 Cb 0.01 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1x5l s TYR 44 CO -0.11 0.54 0.09 -1.21 -1.11 0.00 0.00 175.55 173.75 1x5l s GLU 45 N -0.44 3.48 -0.22 -0.62 8.01 -1.04 -0.49 118.70 127.38 1x5l s GLU 45 Ca 0.13 -0.24 0.01 0.00 0.01 0.00 0.00 54.97 54.88 1x5l s GLU 45 Cb -0.12 -3.12 0.03 0.00 -4.31 0.00 0.00 34.13 26.62 1x5l s GLU 45 CO 0.02 0.64 -0.14 0.42 0.01 0.00 0.00 175.26 176.21 1x5l s ILE 46 N -0.65 2.30 -0.34 -1.63 1.01 0.80 -2.24 121.20 120.44 1x5l s ILE 46 Ca 0.12 -1.15 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 1x5l s ILE 46 Cb -0.12 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1x5l s ILE 46 CO 0.02 0.30 0.24 -0.75 0.00 0.00 0.00 174.94 174.75 1x5l s LYS 47 N 1.25 3.49 -0.09 2.79 2.20 -0.82 -0.98 119.74 127.57 1x5l s LYS 47 Ca -0.00 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1x5l s LYS 47 Cb -0.16 -3.79 0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1x5l s LYS 47 CO -0.09 -0.44 -0.12 1.52 -0.36 0.00 0.00 175.35 175.86 1x5l s TYR 48 N 1.72 1.59 0.15 4.03 1.13 -0.55 -1.69 117.35 123.72 1x5l s TYR 48 Ca 0.06 -0.67 -0.05 0.00 -1.41 0.00 0.00 57.07 54.99 1x5l s TYR 48 Cb -0.17 -1.19 -0.02 0.00 -1.10 0.00 0.00 41.96 39.47 1x5l s TYR 48 CO 0.10 -0.37 0.18 1.52 -2.51 0.00 0.00 175.55 174.47 1x5l s TYR 49 N 0.96 0.62 -0.28 -3.49 -0.85 -1.16 -2.01 117.35 111.15 1x5l s TYR 49 Ca -0.09 -0.99 -0.33 0.00 -0.52 0.00 0.00 57.07 55.15 1x5l s TYR 49 Cb -0.15 -0.25 -0.09 0.00 0.38 0.00 0.00 41.96 41.85 1x5l s TYR 49 CO -0.00 -0.63 2.17 0.39 -1.52 0.00 0.00 175.55 175.96 1x5l n GLU 50 N -0.17 1.50 -0.32 -3.49 1.02 -1.12 -1.34 120.64 116.73 1x5l n GLU 50 Ca -0.06 0.43 -0.01 0.00 -0.02 0.00 0.00 57.16 57.49 1x5l n GLU 50 Cb 0.63 -2.76 0.04 0.00 -0.02 0.00 0.00 31.44 29.34 1x5l n GLU 50 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1x5l h LYS 51 N 13.03 -0.05 -0.15 3.49 1.63 -1.68 0.60 116.57 133.44 1x5l h LYS 51 Ca -0.34 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.24 1x5l h LYS 51 Cb 1.29 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.94 1x5l h LYS 51 CO 0.99 -0.03 -0.76 -0.44 -3.45 0.00 0.00 179.45 175.76 1x5l h ASP 52 N -0.05 0.92 -3.33 4.20 5.19 -1.88 -3.41 116.42 118.06 1x5l h ASP 52 Ca 0.33 -0.63 -0.73 0.00 -0.62 0.00 0.00 57.03 55.37 1x5l h ASP 52 Cb 0.59 -0.27 -0.24 0.00 0.18 0.00 0.00 39.33 39.59 1x5l h ASP 52 CO -0.89 1.40 -0.36 -0.54 -3.12 0.00 0.00 179.24 175.74 1x5l s LYS 53 N -3.74 2.89 -0.17 3.56 -0.14 0.20 -4.92 119.74 117.43 1x5l s LYS 53 Ca -0.11 -1.39 -0.15 0.00 -1.36 0.00 0.00 55.97 52.96 1x5l s LYS 53 Cb 0.08 -4.06 -0.05 0.00 -1.68 0.00 0.00 37.83 32.12 1x5l s LYS 53 CO 0.90 -1.02 -0.29 0.39 -0.76 0.00 0.00 175.35 174.57 1x5l n GLU 54 N 5.14 0.51 -0.33 1.68 4.71 -1.20 -2.77 120.64 128.38 1x5l n GLU 54 Ca -0.12 0.32 0.07 0.00 -0.01 0.00 0.00 57.16 57.42 1x5l n GLU 54 Cb 0.43 -1.52 0.26 0.00 -1.01 0.00 0.00 31.44 29.60 1x5l n GLU 54 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 1x5l h MET 55 N -1.00 0.93 -0.08 3.49 2.86 -1.92 -3.10 114.93 116.12 1x5l h MET 55 Ca -0.03 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1x5l h MET 55 Cb 0.87 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1x5l h MET 55 CO -0.02 0.62 -0.05 0.94 1.06 0.00 0.00 176.91 179.46 1x5l n GLN 56 N -4.56 -0.03 -3.56 1.72 -0.06 -1.26 -4.77 117.38 104.85 1x5l n GLN 56 Ca 0.17 0.71 -0.10 0.00 -2.00 0.00 0.00 57.00 55.77 1x5l n GLN 56 Cb 0.32 -1.06 -0.05 0.00 -4.06 0.00 0.00 30.24 25.40 1x5l n GLN 56 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1x5l s SER 57 N -3.28 -0.37 -0.04 1.69 0.15 -1.17 -5.17 113.70 105.52 1x5l s SER 57 Ca -0.01 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.02 1x5l s SER 57 Cb 0.01 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1x5l s SER 57 CO 0.05 -0.40 -0.17 -0.72 1.20 0.00 0.00 173.24 173.20 1x5l s TYR 58 N -1.50 1.67 0.04 3.44 -0.85 -1.26 -4.38 117.35 114.51 1x5l s TYR 58 Ca -0.01 -0.44 0.03 0.00 -0.52 0.00 0.00 57.07 56.14 1x5l s TYR 58 Cb -0.01 -1.12 -0.04 0.00 0.38 0.00 0.00 41.96 41.18 1x5l s TYR 58 CO -0.00 -0.13 -0.01 -1.12 -1.52 0.00 0.00 175.55 172.77 1x5l s SER 59 N -0.08 4.99 0.04 -0.18 0.01 -0.85 -5.01 113.70 112.63 1x5l s SER 59 Ca -0.01 -0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.21 1x5l s SER 59 Cb -0.10 -1.23 -0.02 0.00 0.21 0.00 0.00 66.02 64.87 1x5l s SER 59 CO 0.01 0.23 -0.18 -0.89 0.41 0.00 0.00 173.24 172.83 1x5l s THR 60 N -1.17 1.44 -0.02 1.44 2.01 -1.26 -1.48 115.64 116.60 1x5l s THR 60 Ca 0.22 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1x5l s THR 60 Cb -0.12 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.14 1x5l s THR 60 CO 0.13 0.11 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.93 1x5l s LEU 61 N -1.19 1.50 -0.23 4.42 2.96 -0.16 -4.95 118.68 121.04 1x5l s LEU 61 Ca 0.05 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1x5l s LEU 61 Cb -0.08 -0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 1x5l s LEU 61 CO 0.02 -0.03 0.15 -0.54 -1.32 0.00 0.00 176.35 174.63 1x5l s LYS 62 N 0.60 4.11 -0.07 1.98 3.01 -1.26 -0.14 119.74 127.96 1x5l s LYS 62 Ca -0.07 -0.25 0.02 0.00 -1.01 0.00 0.00 55.97 54.66 1x5l s LYS 62 Cb -0.10 -3.51 0.01 0.00 -1.01 0.00 0.00 37.83 33.23 1x5l s LYS 62 CO -0.01 0.13 -0.12 0.00 0.51 0.00 0.00 175.35 175.86 1x5l s ALA 63 N 0.86 1.32 0.11 5.17 0.00 0.36 -4.98 121.76 124.59 1x5l s ALA 63 Ca 0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 1x5l s ALA 63 Cb -0.13 -0.63 -0.15 0.00 0.00 0.00 0.00 23.12 22.21 1x5l s ALA 63 CO 0.03 0.05 1.25 -0.39 0.00 0.00 0.00 175.76 176.69 1x5l h VAL 64 N 5.98 1.42 -1.60 0.00 -1.51 -1.89 0.29 116.25 118.94 1x5l h VAL 64 Ca -0.31 -2.60 -0.42 0.00 -1.23 0.00 0.00 66.70 62.14 1x5l h VAL 64 Cb 1.18 2.57 0.02 0.00 -2.13 0.00 0.00 31.29 32.93 1x5l h VAL 64 CO 0.47 0.77 -0.24 0.28 -1.23 0.00 0.00 177.57 177.62 1x5l s THR 65 N -3.09 3.05 -1.45 7.19 -1.32 -1.26 -4.70 115.64 114.06 1x5l s THR 65 Ca -0.06 -0.96 0.01 0.00 -1.21 0.00 0.00 61.69 59.48 1x5l s THR 65 Cb 0.08 -3.03 0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1x5l s THR 65 CO 0.88 -0.01 0.78 0.35 -2.21 0.00 0.00 174.62 174.40 1x5l n THR 66 N -1.90 0.09 -3.91 5.08 -2.24 -1.26 -4.68 114.28 105.46 1x5l n THR 66 Ca 0.07 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 1x5l n THR 66 Cb 0.59 -0.25 -0.17 0.00 -2.10 0.00 0.00 70.33 68.40 1x5l n THR 66 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x5l s ARG 67 N -1.49 0.76 -0.12 -0.78 0.52 -1.26 -3.45 118.95 113.13 1x5l s ARG 67 Ca 0.03 0.00 -0.21 0.00 -0.52 0.00 0.00 55.73 55.03 1x5l s ARG 67 Cb 0.02 -0.98 0.05 0.00 0.52 0.00 0.00 34.95 34.56 1x5l s ARG 67 CO 0.01 -0.22 0.52 0.00 0.02 0.00 0.00 175.30 175.63 1x5l s ALA 68 N 1.58 -1.33 -0.36 2.13 0.00 -1.21 -4.94 121.76 117.63 1x5l s ALA 68 Ca -0.01 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 1x5l s ALA 68 Cb -0.13 -0.42 0.09 0.00 0.00 0.00 0.00 23.12 22.65 1x5l s ALA 68 CO -0.04 -0.29 0.12 0.99 0.00 0.00 0.00 175.76 176.54 1x5l s THR 69 N -0.49 3.12 -0.45 0.00 2.01 -1.26 -1.59 115.64 116.98 1x5l s THR 69 Ca -0.06 -1.81 -0.27 0.00 0.31 0.00 0.00 61.69 59.86 1x5l s THR 69 Cb -0.03 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 1x5l s THR 69 CO 0.04 -0.46 2.19 -0.69 -0.69 0.00 0.00 174.62 175.00 1x5l s VAL 70 N 1.17 3.14 -0.10 3.82 1.01 0.23 -4.76 120.40 124.90 1x5l s VAL 70 Ca 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1x5l s VAL 70 Cb -0.21 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1x5l s VAL 70 CO -0.03 -0.25 -0.08 -0.44 0.00 0.00 0.00 175.10 174.30 1x5l s SER 71 N 9.90 4.54 0.00 3.32 0.01 -1.26 -1.25 113.70 128.96 1x5l s SER 71 Ca 0.89 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1x5l s SER 71 Cb -0.20 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.62 1x5l s SER 71 CO 0.27 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.80 1x5l n GLY 72 N 2.86 1.27 3.84 3.44 0.00 -0.36 -5.00 105.19 111.24 1x5l n GLY 72 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1x5l n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5l s LEU 73 N 0.00 2.71 0.07 0.99 1.43 -1.19 -5.04 118.68 117.65 1x5l s LEU 73 Ca 0.00 -1.28 -0.13 0.00 -1.03 0.00 0.00 54.13 51.69 1x5l s LEU 73 Cb 0.00 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.99 1x5l s LEU 73 CO 0.00 -0.94 0.44 -0.54 0.23 0.00 0.00 176.35 175.54 1x5l s LYS 74 N -4.13 3.88 0.50 1.70 1.02 -1.26 -4.03 119.74 117.42 1x5l s LYS 74 Ca 0.30 0.35 -0.21 0.00 0.02 0.00 0.00 55.97 56.42 1x5l s LYS 74 Cb -0.00 -3.07 -0.07 0.00 -0.52 0.00 0.00 37.83 34.17 1x5l s LYS 74 CO 0.18 0.59 1.15 -1.25 -0.92 0.00 0.00 175.35 175.10 1x5l s PRO 75 N -1.59 3.59 -1.61 -1.68 0.04 -1.26 -3.41 135.00 129.07 1x5l s PRO 75 Ca 0.31 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 1x5l s PRO 75 Cb -0.15 -2.23 0.12 0.00 0.04 0.00 0.00 34.50 32.27 1x5l s PRO 75 CO 0.17 -0.68 0.90 0.41 0.04 0.00 0.00 177.00 177.84 1x5l n GLY 76 N 0.32 -0.48 2.73 0.56 0.00 -0.31 -4.85 105.19 103.17 1x5l n GLY 76 Ca 0.09 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 1x5l n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5l s THR 77 N -3.28 0.43 0.66 2.61 2.01 -1.22 -4.97 115.64 111.88 1x5l s THR 77 Ca 0.71 -0.33 -0.17 0.00 0.31 0.00 0.00 61.69 62.21 1x5l s THR 77 Cb -0.37 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1x5l s THR 77 CO 0.87 -0.08 0.92 0.54 -0.69 0.00 0.00 174.62 176.18 1x5l n ARG 78 N 5.10 0.68 -3.90 4.92 1.74 -1.26 -3.89 116.66 120.04 1x5l n ARG 78 Ca -0.08 0.28 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1x5l n ARG 78 Cb 0.48 -2.16 -0.09 0.00 -1.02 0.00 0.00 32.46 29.67 1x5l n ARG 78 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1x5l s TYR 79 N -1.66 0.14 -0.31 -1.55 2.02 0.12 -2.04 117.35 114.07 1x5l s TYR 79 Ca 0.75 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 57.05 1x5l s TYR 79 Cb -0.38 -0.10 0.04 0.00 -0.40 0.00 0.00 41.96 41.11 1x5l s TYR 79 CO 0.49 -0.33 0.04 0.08 -1.57 0.00 0.00 175.55 174.25 1x5l s VAL 80 N -2.12 3.40 0.15 0.71 1.01 -0.45 -1.27 120.40 121.83 1x5l s VAL 80 Ca -0.09 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 1x5l s VAL 80 Cb -0.04 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1x5l s VAL 80 CO -0.02 -0.07 0.38 -0.36 0.00 0.00 0.00 175.10 175.03 1x5l s PHE 81 N 1.35 3.47 -0.26 5.22 0.08 -0.93 -2.98 117.98 123.93 1x5l s PHE 81 Ca -0.02 0.54 -0.01 0.00 0.12 0.00 0.00 56.93 57.55 1x5l s PHE 81 Cb -0.19 -1.99 0.15 0.00 -0.57 0.00 0.00 43.02 40.42 1x5l s PHE 81 CO 0.00 0.43 0.43 -0.65 -0.10 0.00 0.00 175.22 175.33 1x5l s GLN 82 N -2.72 0.41 0.09 0.44 -0.21 -0.68 -1.93 119.66 115.06 1x5l s GLN 82 Ca 0.41 0.56 -0.15 0.00 0.02 0.00 0.00 55.36 56.20 1x5l s GLN 82 Cb -0.12 -0.23 -0.06 0.00 1.00 0.00 0.00 33.01 33.59 1x5l s GLN 82 CO 0.25 -0.71 0.50 0.08 -2.12 0.00 0.00 175.29 173.29 1x5l s VAL 83 N 2.61 4.90 0.07 1.09 1.01 -1.26 -1.95 120.40 126.88 1x5l s VAL 83 Ca 0.14 0.85 -0.08 0.00 0.00 0.00 0.00 61.98 62.88 1x5l s VAL 83 Cb -0.15 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 1x5l s VAL 83 CO -0.19 0.37 0.17 0.00 0.00 0.00 0.00 175.10 175.45 1x5l s ARG 84 N -1.62 0.78 -0.16 2.72 1.70 -0.95 -1.01 118.95 120.41 1x5l s ARG 84 Ca 0.33 -0.89 -0.02 0.00 -0.47 0.00 0.00 55.73 54.68 1x5l s ARG 84 Cb -0.16 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.52 1x5l s ARG 84 CO 0.18 -0.24 -0.09 0.00 -1.08 0.00 0.00 175.30 174.07 1x5l s ALA 85 N -3.51 2.72 -0.08 7.88 0.00 -1.26 -2.48 121.76 125.02 1x5l s ALA 85 Ca 0.02 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1x5l s ALA 85 Cb 0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1x5l s ALA 85 CO -0.09 0.02 -0.14 0.50 0.00 0.00 0.00 175.76 176.06 1x5l s ARG 86 N 0.72 2.87 0.11 0.00 3.00 -1.23 -2.21 118.95 122.20 1x5l s ARG 86 Ca -0.04 -0.69 0.06 0.00 -1.00 0.00 0.00 55.73 54.06 1x5l s ARG 86 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 34.95 32.28 1x5l s ARG 86 CO 0.02 0.46 -0.15 0.95 0.00 0.00 0.00 175.30 176.58 1x5l s THR 87 N -0.30 1.30 0.31 4.11 -4.23 -0.99 -2.60 115.64 113.24 1x5l s THR 87 Ca 0.02 -1.59 0.10 0.00 -1.18 0.00 0.00 61.69 59.04 1x5l s THR 87 Cb -0.13 -1.41 0.36 0.00 1.34 0.00 0.00 72.50 72.67 1x5l s THR 87 CO 0.03 -0.33 1.45 -1.54 -0.54 0.00 0.00 174.62 173.69 1x5l n SER 88 N 0.79 0.08 0.09 3.99 3.41 -1.25 -0.08 113.62 120.66 1x5l n SER 88 Ca -0.17 1.55 -0.15 0.00 -0.26 0.00 0.00 58.87 59.83 1x5l n SER 88 Cb 0.56 -0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 1x5l n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5l h ALA 89 N 1.84 -0.88 -3.00 7.33 0.00 -1.90 -3.48 119.26 119.17 1x5l h ALA 89 Ca 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1x5l h ALA 89 Cb 1.56 0.85 0.00 0.00 0.00 0.00 0.00 17.79 20.20 1x5l h ALA 89 CO -0.80 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 177.79 1x5l n GLY 90 N -1.47 3.28 3.02 0.00 0.00 0.89 -5.00 105.19 105.91 1x5l n GLY 90 Ca -0.07 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1x5l n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5l n GLY 92 N 4.52 -2.20 3.93 0.00 0.00 -0.94 -5.02 105.19 105.49 1x5l n GLY 92 Ca -0.20 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 1x5l n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x5l s ARG 93 N -4.20 3.51 0.15 1.61 0.52 -1.26 -4.86 118.95 114.42 1x5l s ARG 93 Ca 0.33 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.89 1x5l s ARG 93 Cb -0.02 -2.76 -0.08 0.00 0.52 0.00 0.00 34.95 32.61 1x5l s ARG 93 CO 0.25 0.29 1.28 -0.06 0.02 0.00 0.00 175.30 177.07 1x5l s PHE 94 N -2.08 3.33 1.11 -0.53 0.08 -1.26 -4.62 117.98 114.01 1x5l s PHE 94 Ca 0.39 1.22 -0.16 0.00 0.12 0.00 0.00 56.93 58.51 1x5l s PHE 94 Cb -0.10 -3.54 0.21 0.00 -0.57 0.00 0.00 43.02 39.01 1x5l s PHE 94 CO 0.32 -1.71 0.42 -1.13 -0.10 0.00 0.00 175.22 173.01 1x5l n SER 95 N 3.16 -3.15 -4.73 1.36 3.41 -0.18 -4.86 113.62 108.63 1x5l n SER 95 Ca 0.07 -0.45 -0.39 0.00 -0.26 0.00 0.00 58.87 57.84 1x5l n SER 95 Cb 0.44 -0.84 0.03 0.00 -0.26 0.00 0.00 64.21 63.58 1x5l n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5l n GLN 96 N -2.62 1.83 -1.54 4.33 6.02 -1.26 -4.79 117.38 119.34 1x5l n GLN 96 Ca 0.07 0.66 -0.43 0.00 -0.01 0.00 0.00 57.00 57.29 1x5l n GLN 96 Cb 0.42 -2.53 -0.05 0.00 1.02 0.00 0.00 30.24 29.11 1x5l n GLN 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x5l n ALA 97 N -0.72 1.31 -2.47 -1.58 0.00 -1.26 -4.78 120.51 111.00 1x5l n ALA 97 Ca 0.09 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 1x5l n ALA 97 Cb 0.43 -2.86 -0.05 0.00 0.00 0.00 0.00 19.45 16.96 1x5l n ALA 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x5l s MET 98 N 6.90 3.82 -0.14 0.00 1.75 -0.81 -4.98 119.30 125.83 1x5l s MET 98 Ca 1.04 0.27 0.02 0.00 -1.25 0.00 0.00 55.69 55.77 1x5l s MET 98 Cb -0.48 -2.85 0.01 0.00 2.84 0.00 0.00 34.83 34.35 1x5l s MET 98 CO 0.37 0.45 -0.19 -1.21 -0.65 0.00 0.00 175.02 173.79 1x5l s GLU 99 N -2.28 2.74 -0.07 4.11 2.02 -1.26 -2.19 118.70 121.77 1x5l s GLU 99 Ca 0.40 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.57 1x5l s GLU 99 Cb -0.13 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.82 1x5l s GLU 99 CO 0.20 -0.09 0.20 0.08 0.02 0.00 0.00 175.26 175.67 1x5l s VAL 100 N 1.02 0.01 0.09 2.63 1.01 -0.39 -5.00 120.40 119.77 1x5l s VAL 100 Ca -0.03 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1x5l s VAL 100 Cb -0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1x5l s VAL 100 CO -0.05 -0.04 -0.10 -0.70 0.00 0.00 0.00 175.10 174.21 1x5l s GLU 101 N -0.07 2.16 0.78 2.72 2.12 -1.26 0.16 118.70 125.31 1x5l s GLU 101 Ca -0.02 -1.00 -0.03 0.00 0.36 0.00 0.00 54.97 54.28 1x5l s GLU 101 Cb -0.02 -2.32 0.15 0.00 0.26 0.00 0.00 34.13 32.21 1x5l s GLU 101 CO 0.00 0.52 1.07 0.95 -0.54 0.00 0.00 175.26 177.26 1x5l s THR 102 N -1.19 2.04 0.23 -1.70 -4.23 -1.25 -4.76 115.64 104.78 1x5l s THR 102 Ca 0.21 -0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1x5l s THR 102 Cb -0.11 -2.53 -0.09 0.00 1.34 0.00 0.00 72.50 71.11 1x5l s THR 102 CO 0.13 0.00 1.23 -0.83 -0.54 0.00 0.00 174.62 174.61 1x5l s GLY 103 N -4.81 2.71 0.27 3.99 0.00 -1.12 -4.00 107.32 104.36 1x5l s GLY 103 Ca 0.69 1.04 -0.25 0.00 0.00 0.00 0.00 44.72 46.20 1x5l s GLY 103 CO 0.46 1.88 0.88 0.54 0.00 0.00 0.00 173.10 176.86 1x5l s LYS 104 N -0.61 4.56 0.17 2.90 -0.14 -1.26 -1.17 119.74 124.19 1x5l s LYS 104 Ca 0.52 1.24 -0.30 0.00 -1.36 0.00 0.00 55.97 56.07 1x5l s LYS 104 Cb -0.35 -2.95 -0.08 0.00 -1.68 0.00 0.00 37.83 32.77 1x5l s LYS 104 CO 0.40 0.38 1.32 -1.25 -0.76 0.00 0.00 175.35 175.45 1x5l s PRO 105 N -1.78 4.37 0.16 -1.68 0.04 -1.26 -4.88 135.00 129.97 1x5l s PRO 105 Ca 0.45 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 1x5l s PRO 105 Cb -0.20 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 1x5l s PRO 105 CO 0.25 -0.30 1.52 0.45 0.04 0.00 0.00 177.00 178.96 1x5l n SER 106 N 3.09 -1.03 -2.40 6.66 2.88 -1.26 -4.71 113.62 116.85 1x5l n SER 106 Ca 0.08 1.76 -0.06 0.00 -1.33 0.00 0.00 58.87 59.31 1x5l n SER 106 Cb 0.43 -0.23 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 1x5l n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5l n GLY 107 N -1.26 4.03 3.56 0.46 0.00 -1.26 -5.06 105.19 105.67 1x5l n GLY 107 Ca 0.02 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 1x5l n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5l s PRO 108 N -2.36 2.58 0.15 1.61 0.04 -1.26 -4.86 135.00 130.90 1x5l s PRO 108 Ca 0.01 -0.01 -0.27 0.00 0.04 0.00 0.00 61.00 60.78 1x5l s PRO 108 Cb 0.00 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1x5l s PRO 108 CO 0.01 -3.18 1.58 1.03 0.04 0.00 0.00 177.00 176.48 1x5l h SER 109 N 12.45 -1.35 -0.43 6.66 0.87 -1.97 -1.57 113.55 128.21 1x5l h SER 109 Ca -0.01 0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.84 1x5l h SER 109 Cb 1.05 0.59 -0.09 0.00 -0.44 0.00 0.00 62.40 63.51 1x5l h SER 109 CO 1.21 -0.37 -0.24 -1.28 -0.53 0.00 0.00 176.83 175.62 1x5l h SER 110 N -0.34 -0.81 0.00 6.23 0.87 -2.04 -3.55 113.55 113.90 1x5l h SER 110 Ca 0.13 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1x5l h SER 110 Cb 0.58 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1x5l h SER 110 CO -0.54 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 176.11