#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5l s SER 2 N 0.00 1.06 -0.15 1.61 0.01 -1.26 -5.13 113.70 109.84 1x5l s SER 2 Ca 0.00 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 56.74 1x5l s SER 2 Cb 0.00 0.70 -0.02 0.00 0.21 0.00 0.00 66.02 66.91 1x5l s SER 2 CO 0.00 -0.34 0.75 -0.44 0.41 0.00 0.00 173.24 173.62 1x5l s SER 3 N 2.42 6.89 0.03 2.44 0.01 -1.26 -5.04 113.70 119.19 1x5l s SER 3 Ca 0.10 1.09 -0.22 0.00 1.31 0.00 0.00 55.95 58.23 1x5l s SER 3 Cb -0.15 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 1x5l s SER 3 CO -0.22 -0.31 0.64 -0.83 0.41 0.00 0.00 173.24 172.93 1x5l s GLY 4 N 1.10 2.68 0.17 3.44 0.00 -1.26 -5.05 107.32 108.39 1x5l s GLY 4 Ca 0.36 0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.94 1x5l s GLY 4 CO 0.13 0.79 0.94 -0.56 0.00 0.00 0.00 173.10 174.39 1x5l s SER 5 N -0.38 -0.19 -0.07 1.64 0.01 -1.26 -5.18 113.70 108.28 1x5l s SER 5 Ca 0.33 -0.43 -0.13 0.00 1.31 0.00 0.00 55.95 57.03 1x5l s SER 5 Cb -0.19 0.51 0.03 0.00 0.21 0.00 0.00 66.02 66.58 1x5l s SER 5 CO 0.19 -0.95 0.31 -0.44 0.41 0.00 0.00 173.24 172.77 1x5l s SER 6 N -2.94 -0.25 0.00 2.44 0.01 -1.26 -5.14 113.70 106.56 1x5l s SER 6 Ca 0.12 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1x5l s SER 6 Cb -0.02 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1x5l s SER 6 CO 0.03 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1x5l n GLY 7 N 2.05 -0.07 3.86 3.44 0.00 -1.26 -5.14 105.19 108.07 1x5l n GLY 7 Ca -0.18 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.00 2.63 0.61 1.61 -1.52 -1.26 -5.11 119.66 114.62 1x5l s GLN 8 Ca 0.00 -1.41 -0.16 0.00 -1.95 0.00 0.00 55.36 51.85 1x5l s GLN 8 Cb 0.00 -2.42 -0.03 0.00 -0.22 0.00 0.00 33.01 30.34 1x5l s GLN 8 CO 0.00 -0.03 1.07 0.00 -0.25 0.00 0.00 175.29 176.09 1x5l s ALA 9 N -2.38 2.67 0.53 6.09 0.00 -1.26 -4.89 121.76 122.52 1x5l s ALA 9 Ca 0.44 0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1x5l s ALA 9 Cb -0.05 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1x5l s ALA 9 CO 0.27 -0.92 1.03 0.00 0.00 0.00 0.00 175.76 176.13 1x5l s ALA 10 N -2.40 2.88 0.86 0.00 0.00 -1.26 -4.86 121.76 116.99 1x5l s ALA 10 Ca 0.65 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 1x5l s ALA 10 Cb -0.17 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1x5l s ALA 10 CO 0.38 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 175.54 1x5l s PRO 11 N -3.70 1.51 1.15 0.00 0.04 -1.25 -4.79 135.00 127.96 1x5l s PRO 11 Ca 0.64 0.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.41 1x5l s PRO 11 Cb -0.14 -1.83 0.26 0.00 0.04 0.00 0.00 34.50 32.83 1x5l s PRO 11 CO 0.28 -2.09 1.12 0.45 0.04 0.00 0.00 177.00 176.80 1x5l s SER 12 N -3.41 1.36 -0.25 6.66 0.15 0.49 -4.71 113.70 113.98 1x5l s SER 12 Ca 0.63 0.70 -0.02 0.00 0.70 0.00 0.00 55.95 57.95 1x5l s SER 12 Cb -0.18 -1.00 0.02 0.00 -1.71 0.00 0.00 66.02 63.15 1x5l s SER 12 CO 0.57 -3.86 -0.05 -1.58 1.20 0.00 0.00 173.24 169.52 1x5l s GLN 13 N -5.37 2.93 0.09 5.44 0.74 -1.26 -4.68 119.66 117.55 1x5l s GLN 13 Ca 0.70 -0.92 -0.33 0.00 0.05 0.00 0.00 55.36 54.86 1x5l s GLN 13 Cb -0.11 -3.02 -0.12 0.00 1.10 0.00 0.00 33.01 30.86 1x5l s GLN 13 CO 0.56 -0.38 1.74 0.28 -0.55 0.00 0.00 175.29 176.94 1x5l n VAL 14 N 4.71 0.26 -0.20 1.34 0.31 -1.26 -4.87 118.33 118.61 1x5l n VAL 14 Ca -0.17 -0.05 0.03 0.00 -0.01 0.00 0.00 64.34 64.14 1x5l n VAL 14 Cb 0.48 -1.82 0.06 0.00 -0.91 0.00 0.00 33.84 31.64 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 4.28 1.16 -4.04 2.52 0.24 -1.26 -4.17 118.33 117.07 1x5l n VAL 15 Ca 0.19 -1.19 -0.31 0.00 -2.04 0.00 0.00 64.34 60.98 1x5l n VAL 15 Cb 0.32 0.38 -0.16 0.00 -1.47 0.00 0.00 33.84 32.91 1x5l n VAL 15 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1x5l s VAL 16 N -1.30 1.84 -0.04 3.34 1.01 -1.26 -4.90 120.40 119.08 1x5l s VAL 16 Ca 0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1x5l s VAL 16 Cb 0.07 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1x5l s VAL 16 CO 0.04 0.20 0.08 -0.63 0.00 0.00 0.00 175.10 174.79 1x5l s ILE 17 N 1.31 -0.02 0.03 2.22 1.01 -1.26 -3.28 121.20 121.22 1x5l s ILE 17 Ca -0.02 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1x5l s ILE 17 Cb -0.16 -0.14 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1x5l s ILE 17 CO -0.08 0.03 -0.05 -0.13 0.00 0.00 0.00 174.94 174.70 1x5l s ARG 18 N 0.42 0.45 -0.25 2.79 0.52 0.21 -4.95 118.95 118.13 1x5l s ARG 18 Ca -0.03 -0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 54.27 1x5l s ARG 18 Cb -0.05 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.33 1x5l s ARG 18 CO -0.02 -0.01 0.45 -1.14 0.02 0.00 0.00 175.30 174.60 1x5l s GLN 19 N -1.79 4.07 -0.12 3.54 0.74 -1.26 0.50 119.66 125.34 1x5l s GLN 19 Ca -0.11 0.21 -0.23 0.00 0.05 0.00 0.00 55.36 55.28 1x5l s GLN 19 Cb -0.08 -3.63 -0.26 0.00 1.10 0.00 0.00 33.01 30.13 1x5l s GLN 19 CO -0.01 -0.27 0.65 0.93 -0.55 0.00 0.00 175.29 176.04 1x5l h GLU 20 N 7.96 0.12 -2.12 1.67 4.39 -1.84 -3.47 114.58 121.29 1x5l h GLU 20 Ca -0.31 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.13 1x5l h GLU 20 Cb 1.15 0.07 -0.26 0.00 -0.10 0.00 0.00 28.75 29.61 1x5l h GLU 20 CO 0.69 1.09 -0.34 1.03 -1.16 0.00 0.00 179.01 180.32 1x5l s ARG 21 N -2.34 0.40 -0.53 2.33 0.52 -1.26 -5.03 118.95 113.03 1x5l s ARG 21 Ca -0.20 0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 55.82 1x5l s ARG 21 Cb 0.01 0.26 0.09 0.00 0.52 0.00 0.00 34.95 35.83 1x5l s ARG 21 CO 0.72 -0.37 0.56 0.00 0.02 0.00 0.00 175.30 176.23 1x5l s ALA 22 N 2.67 3.50 0.94 2.13 0.00 -1.26 -1.20 121.76 128.54 1x5l s ALA 22 Ca 0.04 -2.17 -0.14 0.00 0.00 0.00 0.00 51.96 49.68 1x5l s ALA 22 Cb -0.13 -3.32 0.20 0.00 0.00 0.00 0.00 23.12 19.87 1x5l s ALA 22 CO -0.15 -2.05 1.29 0.20 0.00 0.00 0.00 175.76 175.05 1x5l s GLY 23 N 3.18 1.80 0.06 0.00 0.00 0.49 -4.57 107.32 108.28 1x5l s GLY 23 Ca 0.08 -1.36 -0.18 0.00 0.00 0.00 0.00 44.72 43.26 1x5l s GLY 23 CO 0.07 -0.59 1.36 -1.61 0.00 0.00 0.00 173.10 172.33 1x5l h GLN 24 N -1.54 0.49 0.00 2.90 4.15 -1.94 -3.00 115.11 116.18 1x5l h GLN 24 Ca -0.43 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 58.72 1x5l h GLN 24 Cb 1.23 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1x5l h GLN 24 CO 0.35 0.85 -0.42 0.25 -1.93 0.00 0.00 178.83 177.93 1x5l n THR 25 N -4.43 0.00 -4.69 2.39 -2.24 -1.26 -3.75 114.28 100.30 1x5l n THR 25 Ca -0.05 -0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 1x5l n THR 25 Cb 0.42 0.84 -0.14 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.58 2.53 0.02 3.42 1.04 -1.26 -2.20 113.70 115.67 1x5l s SER 26 Ca 0.01 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1x5l s SER 26 Cb 0.02 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 1x5l s SER 26 CO 0.13 0.18 -0.09 -0.69 0.98 0.00 0.00 173.24 173.74 1x5l s VAL 27 N -0.78 0.71 0.27 5.02 1.01 -0.48 0.18 120.40 126.33 1x5l s VAL 27 Ca 0.08 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1x5l s VAL 27 Cb -0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1x5l s VAL 27 CO 0.02 -0.01 0.19 -0.55 0.00 0.00 0.00 175.10 174.75 1x5l s SER 28 N -0.76 5.37 0.13 3.32 0.15 -0.34 0.12 113.70 121.69 1x5l s SER 28 Ca -0.01 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.31 1x5l s SER 28 Cb -0.06 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 1x5l s SER 28 CO 0.00 -0.10 -0.02 -0.76 1.20 0.00 0.00 173.24 173.57 1x5l s LEU 29 N -3.86 2.24 -0.26 3.45 1.43 0.13 -3.91 118.68 117.90 1x5l s LEU 29 Ca 0.34 -1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1x5l s LEU 29 Cb -0.07 0.02 0.15 0.00 0.03 0.00 0.00 46.19 46.31 1x5l s LEU 29 CO 0.25 -0.56 0.45 -0.22 0.23 0.00 0.00 176.35 176.50 1x5l s LEU 30 N -3.08 -0.87 0.40 1.79 2.96 0.18 -3.35 118.68 116.70 1x5l s LEU 30 Ca 0.18 0.47 0.04 0.00 -0.22 0.00 0.00 54.13 54.60 1x5l s LEU 30 Cb 0.06 1.46 -0.05 0.00 0.50 0.00 0.00 46.19 48.16 1x5l s LEU 30 CO -0.01 -0.28 0.05 -1.66 -1.32 0.00 0.00 176.35 173.13 1x5l s TRP 31 N 2.65 2.02 0.41 5.38 -2.14 -1.10 0.64 118.94 126.81 1x5l s TRP 31 Ca 0.14 -0.97 0.07 0.00 2.66 0.00 0.00 56.10 58.01 1x5l s TRP 31 Cb -0.15 -1.42 -0.05 0.00 -3.10 0.00 0.00 33.47 28.75 1x5l s TRP 31 CO -0.17 0.07 0.22 1.14 -2.66 0.00 0.00 176.95 175.55 1x5l s GLN 32 N -3.81 2.29 0.48 3.25 1.03 -1.21 -4.80 119.66 116.90 1x5l s GLN 32 Ca 0.28 -1.77 -0.23 0.00 0.04 0.00 0.00 55.36 53.68 1x5l s GLN 32 Cb 0.06 -2.07 -0.07 0.00 0.03 0.00 0.00 33.01 30.96 1x5l s GLN 32 CO 0.14 -0.13 1.21 -1.21 -2.54 0.00 0.00 175.29 172.76 1x5l s GLU 33 N -3.95 3.63 0.21 9.60 2.02 -1.26 -4.90 118.70 124.04 1x5l s GLU 33 Ca 0.43 1.89 -0.30 0.00 0.02 0.00 0.00 54.97 57.00 1x5l s GLU 33 Cb 0.02 -2.39 -0.09 0.00 0.10 0.00 0.00 34.13 31.78 1x5l s GLU 33 CO 0.24 -0.69 1.30 -1.25 0.02 0.00 0.00 175.26 174.88 1x5l s PRO 34 N -2.73 4.40 0.07 0.39 0.04 -1.26 -4.94 135.00 130.98 1x5l s PRO 34 Ca 0.65 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.60 1x5l s PRO 34 Cb -0.31 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 1x5l s PRO 34 CO 0.38 -0.22 0.99 0.39 0.04 0.00 0.00 177.00 178.58 1x5l n GLU 35 N 2.43 -0.19 -3.99 4.56 1.02 -1.26 -3.67 120.64 119.54 1x5l n GLU 35 Ca 0.05 0.98 -0.31 0.00 -0.02 0.00 0.00 57.16 57.86 1x5l n GLU 35 Cb 0.43 -1.45 -0.15 0.00 -0.02 0.00 0.00 31.44 30.25 1x5l n GLU 35 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1x5l s GLN 36 N -4.36 1.51 0.31 3.49 -1.52 -1.26 -4.97 119.66 112.87 1x5l s GLN 36 Ca -0.05 -1.67 0.10 0.00 -1.95 0.00 0.00 55.36 51.80 1x5l s GLN 36 Cb 0.05 -3.00 0.52 0.00 -0.22 0.00 0.00 33.01 30.36 1x5l s GLN 36 CO 0.27 -0.87 1.71 -1.00 -0.25 0.00 0.00 175.29 175.15 1x5l h PRO 37 N 7.70 0.05 -5.74 2.91 0.13 -1.93 0.14 132.00 135.27 1x5l h PRO 37 Ca -0.08 -0.03 -0.37 0.00 -0.87 0.00 0.00 66.00 64.65 1x5l h PRO 37 Cb 1.03 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.30 1x5l h PRO 37 CO 0.50 0.52 -0.70 0.09 -0.23 0.00 0.00 178.00 178.18 1x5l n ASN 38 N -3.97 -4.91 0.00 1.44 3.02 -1.26 -3.82 115.26 105.77 1x5l n ASN 38 Ca -0.02 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1x5l n ASN 38 Cb 0.51 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 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 -1.71 0.80 3.70 7.41 0.00 -1.26 -4.79 105.19 109.33 1x5l n GLY 39 Ca -0.09 -2.03 -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 -1.76 5.27 -0.23 -0.61 1.09 -1.26 -5.06 121.20 118.65 1x5l s ILE 40 Ca 0.00 0.56 -0.20 0.00 -1.10 0.00 0.00 60.65 59.91 1x5l s ILE 40 Cb 0.00 -3.65 -0.02 0.00 -1.06 0.00 0.00 42.46 37.72 1x5l s ILE 40 CO 0.00 0.33 0.59 -0.63 -0.10 0.00 0.00 174.94 175.14 1x5l s ILE 41 N 0.86 5.03 -0.01 2.92 1.01 -1.26 -4.56 121.20 125.19 1x5l s ILE 41 Ca 0.16 1.09 -0.24 0.00 0.00 0.00 0.00 60.65 61.66 1x5l s ILE 41 Cb -0.14 -3.91 -0.16 0.00 0.01 0.00 0.00 42.46 38.27 1x5l s ILE 41 CO 0.05 0.09 1.11 -0.07 0.00 0.00 0.00 174.94 176.12 1x5l h LEU 42 N 8.49 -0.36 -7.00 2.97 3.38 -1.95 -3.48 115.31 117.36 1x5l h LEU 42 Ca -0.30 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.57 1x5l h LEU 42 Cb 1.14 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 1x5l h LEU 42 CO 0.76 0.05 0.46 -1.83 0.09 0.00 0.00 178.44 177.96 1x5l s GLU 43 N -4.31 0.84 -0.14 1.13 1.03 -1.26 -4.84 118.70 111.14 1x5l s GLU 43 Ca -0.13 -0.20 -0.14 0.00 0.03 0.00 0.00 54.97 54.53 1x5l s GLU 43 Cb 0.02 0.39 -0.05 0.00 -0.80 0.00 0.00 34.13 33.69 1x5l s GLU 43 CO 0.50 -0.34 0.31 0.71 -1.33 0.00 0.00 175.26 175.11 1x5l s TYR 44 N -2.68 3.49 -0.25 4.83 1.51 0.11 -3.22 117.35 121.15 1x5l s TYR 44 Ca 0.02 0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 56.64 1x5l s TYR 44 Cb -0.01 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 1x5l s TYR 44 CO -0.06 0.29 0.12 -2.00 -1.11 0.00 0.00 175.55 172.79 1x5l s GLU 45 N 0.28 3.89 -0.10 -0.62 2.56 -0.01 -0.68 118.70 124.02 1x5l s GLU 45 Ca 0.18 -0.36 -0.04 0.00 0.00 0.00 0.00 54.97 54.74 1x5l s GLU 45 Cb -0.13 -3.45 -0.04 0.00 2.00 0.00 0.00 34.13 32.51 1x5l s GLU 45 CO 0.05 -0.06 0.06 0.42 -0.56 0.00 0.00 175.26 175.18 1x5l s ILE 46 N 1.33 4.82 -0.22 -3.70 1.09 -0.04 -1.32 121.20 123.15 1x5l s ILE 46 Ca 0.06 -0.05 -0.03 0.00 -1.10 0.00 0.00 60.65 59.53 1x5l s ILE 46 Cb -0.15 -3.06 0.01 0.00 -1.06 0.00 0.00 42.46 38.20 1x5l s ILE 46 CO 0.06 0.61 -0.07 -0.75 -0.10 0.00 0.00 174.94 174.69 1x5l s LYS 47 N -0.90 3.17 -0.08 2.79 2.20 0.14 -0.36 119.74 126.71 1x5l s LYS 47 Ca 0.14 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1x5l s LYS 47 Cb -0.12 -2.95 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1x5l s LYS 47 CO 0.03 -0.26 -0.11 1.52 -0.36 0.00 0.00 175.35 176.16 1x5l s TYR 48 N 1.41 1.48 0.06 4.03 1.13 -0.97 -0.54 117.35 123.95 1x5l s TYR 48 Ca 0.04 -0.59 -0.09 0.00 -1.41 0.00 0.00 57.07 55.02 1x5l s TYR 48 Cb -0.15 -1.11 0.00 0.00 -1.10 0.00 0.00 41.96 39.60 1x5l s TYR 48 CO -0.05 -0.33 0.19 1.52 -2.51 0.00 0.00 175.55 174.37 1x5l s TYR 49 N 0.87 0.09 -0.30 -3.49 -0.85 -1.19 -3.63 117.35 108.84 1x5l s TYR 49 Ca -0.11 -0.38 -0.34 0.00 -0.52 0.00 0.00 57.07 55.73 1x5l s TYR 49 Cb -0.15 -0.04 -0.10 0.00 0.38 0.00 0.00 41.96 42.05 1x5l s TYR 49 CO 0.01 -0.47 2.18 0.39 -1.52 0.00 0.00 175.55 176.15 1x5l n GLU 50 N 0.45 1.33 -0.09 -3.49 1.02 -1.22 -1.69 120.64 116.95 1x5l n GLU 50 Ca -0.18 0.37 -0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1x5l n GLU 50 Cb 0.60 -2.65 -0.01 0.00 -0.02 0.00 0.00 31.44 29.36 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 12.83 -0.23 -0.28 3.49 1.63 -1.26 -2.07 116.57 130.68 1x5l h LYS 51 Ca -0.32 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.37 1x5l h LYS 51 Cb 1.30 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.98 1x5l h LYS 51 CO 1.00 -0.15 -0.33 0.22 -3.45 0.00 0.00 179.45 176.74 1x5l h ASP 52 N -0.23 0.77 -3.38 4.20 1.82 -1.89 -3.40 116.42 114.32 1x5l h ASP 52 Ca 0.17 -0.49 -0.73 0.00 -0.39 0.00 0.00 57.03 55.59 1x5l h ASP 52 Cb 0.50 -0.22 -0.24 0.00 0.68 0.00 0.00 39.33 40.05 1x5l h ASP 52 CO -0.48 1.11 -0.38 -0.54 -1.61 0.00 0.00 179.24 177.34 1x5l s LYS 53 N -4.28 2.89 -0.61 0.28 -0.14 -0.78 -5.04 119.74 112.05 1x5l s LYS 53 Ca -0.12 -1.32 -0.23 0.00 -1.36 0.00 0.00 55.97 52.94 1x5l s LYS 53 Cb 0.09 -4.01 0.06 0.00 -1.68 0.00 0.00 37.83 32.29 1x5l s LYS 53 CO 0.84 -0.96 0.92 -2.00 -0.76 0.00 0.00 175.35 173.39 1x5l s GLU 54 N 1.59 3.18 -0.05 1.68 2.12 -1.21 -3.40 118.70 122.61 1x5l s GLU 54 Ca 0.04 -0.67 -0.21 0.00 0.36 0.00 0.00 54.97 54.48 1x5l s GLU 54 Cb -0.23 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 29.95 1x5l s GLU 54 CO 0.06 -1.66 0.62 -1.64 -0.54 0.00 0.00 175.26 172.10 1x5l s MET 55 N 3.89 4.38 0.26 4.30 -1.94 -1.26 -4.96 119.30 123.96 1x5l s MET 55 Ca 0.24 0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 54.96 1x5l s MET 55 Cb -0.16 -3.40 0.56 0.00 2.01 0.00 0.00 34.83 33.83 1x5l s MET 55 CO 0.13 0.20 1.71 1.96 -0.01 0.00 0.00 175.02 179.01 1x5l h GLN 56 N 6.31 0.40 -4.89 2.03 4.20 -2.03 -3.32 115.11 117.80 1x5l h GLN 56 Ca -0.43 -0.02 -0.69 0.00 0.06 0.00 0.00 58.65 57.57 1x5l h GLN 56 Cb 1.20 -0.09 -0.18 0.00 0.30 0.00 0.00 27.48 28.70 1x5l h GLN 56 CO 0.73 0.26 0.15 -1.54 -0.67 0.00 0.00 178.83 177.77 1x5l s SER 57 N -5.28 6.20 0.42 1.46 1.04 -1.26 -5.05 113.70 111.23 1x5l s SER 57 Ca -0.12 -1.18 -0.13 0.00 0.48 0.00 0.00 55.95 55.00 1x5l s SER 57 Cb 0.22 -2.31 -0.07 0.00 0.10 0.00 0.00 66.02 63.96 1x5l s SER 57 CO 0.77 -1.08 0.81 -0.72 0.98 0.00 0.00 173.24 174.00 1x5l s TYR 58 N 2.85 3.45 -0.15 5.02 1.13 -1.25 -5.06 117.35 123.33 1x5l s TYR 58 Ca 0.14 1.17 -0.13 0.00 -1.41 0.00 0.00 57.07 56.84 1x5l s TYR 58 Cb -0.21 -2.54 -0.05 0.00 -1.10 0.00 0.00 41.96 38.06 1x5l s TYR 58 CO 0.09 -0.14 0.28 -1.12 -2.51 0.00 0.00 175.55 172.16 1x5l s SER 59 N -3.00 6.43 0.15 -0.18 0.01 -1.24 -5.01 113.70 110.86 1x5l s SER 59 Ca 0.53 0.51 0.04 0.00 1.31 0.00 0.00 55.95 58.35 1x5l s SER 59 Cb -0.10 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1x5l s SER 59 CO 0.29 0.12 0.14 0.42 0.41 0.00 0.00 173.24 174.62 1x5l s THR 60 N 0.35 4.56 -0.07 1.44 -4.23 -1.26 -2.30 115.64 114.13 1x5l s THR 60 Ca 0.16 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1x5l s THR 60 Cb -0.13 -3.31 0.02 0.00 1.34 0.00 0.00 72.50 70.42 1x5l s THR 60 CO 0.04 -0.06 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.75 1x5l s LEU 61 N -2.98 1.42 -0.23 4.79 2.96 0.52 -4.91 118.68 120.24 1x5l s LEU 61 Ca 0.31 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.77 1x5l s LEU 61 Cb -0.11 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 1x5l s LEU 61 CO 0.24 -0.03 0.61 -0.54 -1.32 0.00 0.00 176.35 175.30 1x5l s LYS 62 N 1.04 4.15 -0.08 1.98 3.01 -1.26 -0.86 119.74 127.71 1x5l s LYS 62 Ca -0.08 0.54 0.03 0.00 -1.01 0.00 0.00 55.97 55.45 1x5l s LYS 62 Cb -0.15 -3.62 0.01 0.00 -1.01 0.00 0.00 37.83 33.06 1x5l s LYS 62 CO -0.00 -0.33 -0.17 0.00 0.51 0.00 0.00 175.35 175.36 1x5l s ALA 63 N 2.21 1.61 -0.11 5.17 0.00 0.15 -4.97 121.76 125.82 1x5l s ALA 63 Ca 0.26 -0.63 0.16 0.00 0.00 0.00 0.00 51.96 51.75 1x5l s ALA 63 Cb -0.16 -0.66 -0.12 0.00 0.00 0.00 0.00 23.12 22.19 1x5l s ALA 63 CO 0.09 0.19 0.92 -0.39 0.00 0.00 0.00 175.76 176.57 1x5l h VAL 64 N 5.85 0.64 -0.88 0.00 -1.51 -1.85 0.32 116.25 118.82 1x5l h VAL 64 Ca -0.26 -2.16 -0.61 0.00 -1.23 0.00 0.00 66.70 62.44 1x5l h VAL 64 Cb 1.21 2.17 -0.09 0.00 -2.13 0.00 0.00 31.29 32.45 1x5l h VAL 64 CO 0.47 0.37 -0.44 0.28 -1.23 0.00 0.00 177.57 177.02 1x5l s THR 65 N -2.89 1.74 -2.00 7.19 -1.32 -1.26 -4.85 115.64 112.26 1x5l s THR 65 Ca -0.02 -1.72 0.16 0.00 -1.21 0.00 0.00 61.69 58.90 1x5l s THR 65 Cb 0.08 -2.46 0.45 0.00 -1.51 0.00 0.00 72.50 69.06 1x5l s THR 65 CO 0.80 0.00 1.36 0.35 -2.21 0.00 0.00 174.62 174.93 1x5l n THR 66 N -1.42 0.00 -5.09 5.08 -2.24 -1.26 -4.66 114.28 104.69 1x5l n THR 66 Ca -0.07 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 1x5l n THR 66 Cb 0.65 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.00 2.20 0.13 -0.78 0.52 -1.26 -2.69 118.95 115.06 1x5l s ARG 67 Ca 0.24 -0.88 -0.16 0.00 -0.52 0.00 0.00 55.73 54.41 1x5l s ARG 67 Cb 0.11 -2.15 0.03 0.00 0.52 0.00 0.00 34.95 33.46 1x5l s ARG 67 CO 0.18 0.57 0.40 0.00 0.02 0.00 0.00 175.30 176.48 1x5l s ALA 68 N -0.69 -0.91 -0.13 2.13 0.00 -1.21 -4.76 121.76 116.18 1x5l s ALA 68 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1x5l s ALA 68 Cb -0.10 0.70 0.06 0.00 0.00 0.00 0.00 23.12 23.77 1x5l s ALA 68 CO 0.00 -0.65 0.12 0.99 0.00 0.00 0.00 175.76 176.23 1x5l s THR 69 N -3.81 -0.17 -0.30 0.00 2.01 -1.26 -0.70 115.64 111.42 1x5l s THR 69 Ca 0.03 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 1x5l s THR 69 Cb 0.02 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1x5l s THR 69 CO -0.12 -0.09 0.82 -0.69 -0.69 0.00 0.00 174.62 173.86 1x5l s VAL 70 N 2.21 4.78 0.19 3.82 1.01 0.12 -4.89 120.40 127.64 1x5l s VAL 70 Ca 0.04 1.31 0.09 0.00 0.00 0.00 0.00 61.98 63.42 1x5l s VAL 70 Cb -0.14 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1x5l s VAL 70 CO -0.08 -0.24 -0.11 -0.44 0.00 0.00 0.00 175.10 174.24 1x5l s SER 71 N 1.57 4.17 0.00 3.32 0.01 -1.26 -1.38 113.70 120.12 1x5l s SER 71 Ca 0.34 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1x5l s SER 71 Cb -0.14 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1x5l s SER 71 CO 0.12 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1x5l n GLY 72 N -0.02 1.22 3.82 3.44 0.00 -1.23 -5.03 105.19 107.40 1x5l n GLY 72 Ca -0.10 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.11 2.70 -0.05 0.99 1.43 -0.93 -5.10 118.68 117.61 1x5l s LEU 73 Ca 0.00 -1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 51.76 1x5l s LEU 73 Cb 0.00 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1x5l s LEU 73 CO 0.00 -0.89 0.10 -0.54 0.23 0.00 0.00 176.35 175.25 1x5l s LYS 74 N -4.07 3.22 0.79 1.70 1.02 -1.26 -4.69 119.74 116.45 1x5l s LYS 74 Ca 0.28 -0.35 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 1x5l s LYS 74 Cb 0.00 -2.98 0.07 0.00 -0.52 0.00 0.00 37.83 34.41 1x5l s LYS 74 CO 0.16 0.69 1.09 -1.25 -0.92 0.00 0.00 175.35 175.13 1x5l s PRO 75 N -1.47 2.08 -1.63 -1.68 0.04 -1.25 -3.71 135.00 127.38 1x5l s PRO 75 Ca 0.20 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.21 1x5l s PRO 75 Cb -0.12 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.66 1x5l s PRO 75 CO 0.11 -1.75 0.70 0.41 0.04 0.00 0.00 177.00 176.51 1x5l n GLY 76 N -1.19 -0.39 2.78 0.56 0.00 -1.20 -4.87 105.19 100.87 1x5l n GLY 76 Ca 0.09 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.46 -0.18 0.48 2.61 2.01 -1.24 -4.98 115.64 110.88 1x5l s THR 77 Ca 0.56 0.36 -0.23 0.00 0.31 0.00 0.00 61.69 62.69 1x5l s THR 77 Cb -0.30 -0.23 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 1x5l s THR 77 CO 0.92 0.15 1.29 -0.13 -0.69 0.00 0.00 174.62 176.16 1x5l s ARG 78 N 2.11 3.54 -0.03 4.92 0.52 -1.26 -3.77 118.95 124.99 1x5l s ARG 78 Ca 0.02 2.09 0.01 0.00 -0.52 0.00 0.00 55.73 57.33 1x5l s ARG 78 Cb -0.12 -2.43 0.02 0.00 0.52 0.00 0.00 34.95 32.94 1x5l s ARG 78 CO -0.05 -0.82 -0.01 0.71 0.02 0.00 0.00 175.30 175.15 1x5l s TYR 79 N -1.36 0.35 -0.50 -0.53 2.02 0.90 -0.75 117.35 117.48 1x5l s TYR 79 Ca 0.65 -0.03 -0.20 0.00 -0.37 0.00 0.00 57.07 57.13 1x5l s TYR 79 Cb -0.37 -0.39 0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1x5l s TYR 79 CO 0.45 -0.11 0.64 0.08 -1.57 0.00 0.00 175.55 175.03 1x5l s VAL 80 N 0.81 4.85 0.28 0.71 1.01 -0.68 -2.32 120.40 125.06 1x5l s VAL 80 Ca -0.08 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1x5l s VAL 80 Cb -0.12 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 1x5l s VAL 80 CO -0.01 -0.79 0.61 -0.36 0.00 0.00 0.00 175.10 174.54 1x5l s PHE 81 N 2.71 3.44 -0.27 5.22 0.08 -0.71 -3.15 117.98 125.31 1x5l s PHE 81 Ca 0.17 0.87 -0.01 0.00 0.12 0.00 0.00 56.93 58.08 1x5l s PHE 81 Cb -0.18 -2.27 0.16 0.00 -0.57 0.00 0.00 43.02 40.15 1x5l s PHE 81 CO 0.13 0.16 0.46 -0.65 -0.10 0.00 0.00 175.22 175.22 1x5l s GLN 82 N -3.21 0.43 -0.03 0.44 -0.21 0.30 -2.64 119.66 114.74 1x5l s GLN 82 Ca 0.48 0.61 -0.15 0.00 0.02 0.00 0.00 55.36 56.32 1x5l s GLN 82 Cb -0.11 -0.11 -0.05 0.00 1.00 0.00 0.00 33.01 33.74 1x5l s GLN 82 CO 0.25 -0.72 0.41 0.08 -2.12 0.00 0.00 175.29 173.19 1x5l s VAL 83 N 2.65 5.07 0.03 1.09 1.01 -1.26 0.24 120.40 129.23 1x5l s VAL 83 Ca 0.15 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.91 1x5l s VAL 83 Cb -0.15 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1x5l s VAL 83 CO -0.20 0.53 0.09 0.00 0.00 0.00 0.00 175.10 175.52 1x5l s ARG 84 N -0.71 0.53 -0.12 2.72 1.70 -0.44 -1.93 118.95 120.70 1x5l s ARG 84 Ca 0.23 -0.64 -0.10 0.00 -0.47 0.00 0.00 55.73 54.76 1x5l s ARG 84 Cb -0.16 0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.38 1x5l s ARG 84 CO 0.12 -0.13 0.20 0.00 -1.08 0.00 0.00 175.30 174.42 1x5l s ALA 85 N -2.14 3.78 -0.07 7.88 0.00 -1.26 -0.83 121.76 129.12 1x5l s ALA 85 Ca -0.09 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.36 1x5l s ALA 85 Cb -0.04 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 1x5l s ALA 85 CO -0.02 0.44 -0.24 0.50 0.00 0.00 0.00 175.76 176.44 1x5l s ARG 86 N -0.58 2.67 0.04 0.00 3.52 -1.20 -3.13 118.95 120.27 1x5l s ARG 86 Ca 0.15 -0.87 0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1x5l s ARG 86 Cb -0.13 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 1x5l s ARG 86 CO 0.04 0.30 -0.14 0.95 -0.81 0.00 0.00 175.30 175.64 1x5l s THR 87 N 0.04 1.11 0.31 4.11 -4.23 -1.08 -3.03 115.64 112.87 1x5l s THR 87 Ca -0.09 -0.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1x5l s THR 87 Cb -0.15 -1.00 0.37 0.00 1.34 0.00 0.00 72.50 73.06 1x5l s THR 87 CO 0.05 0.02 1.59 -1.28 -0.54 0.00 0.00 174.62 174.47 1x5l h SER 88 N 4.97 -0.22 -0.23 3.99 0.87 -2.00 0.14 113.55 121.06 1x5l h SER 88 Ca -0.38 0.25 0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1x5l h SER 88 Cb 1.18 0.39 -0.07 0.00 -0.44 0.00 0.00 62.40 63.46 1x5l h SER 88 CO 0.44 -0.32 -0.38 0.00 -0.53 0.00 0.00 176.83 176.04 1x5l h ALA 89 N 1.93 -0.44 -3.00 6.23 0.00 -1.94 -3.47 119.26 118.56 1x5l h ALA 89 Ca 0.63 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1x5l h ALA 89 Cb 1.37 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1x5l h ALA 89 CO -0.82 -0.85 0.00 0.41 0.00 0.00 0.00 179.25 177.98 1x5l n GLY 90 N -1.42 3.34 3.04 0.00 0.00 0.48 -4.94 105.19 105.68 1x5l n GLY 90 Ca -0.02 -0.11 -0.11 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 2.25 1.75 3.93 0.00 0.00 -1.18 -4.85 105.19 107.08 1x5l n GLY 92 Ca -0.18 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.30 2.32 0.16 1.61 0.52 -1.26 -4.89 118.95 114.10 1x5l s ARG 93 Ca 0.29 -0.26 -0.14 0.00 -0.52 0.00 0.00 55.73 55.10 1x5l s ARG 93 Cb -0.02 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 33.17 1x5l s ARG 93 CO 0.19 -1.13 0.56 -0.06 0.02 0.00 0.00 175.30 174.88 1x5l s PHE 94 N -3.17 3.60 1.43 -0.53 0.08 -1.26 -4.55 117.98 113.57 1x5l s PHE 94 Ca 0.59 1.07 -0.22 0.00 0.12 0.00 0.00 56.93 58.48 1x5l s PHE 94 Cb -0.11 -2.38 0.37 0.00 -0.57 0.00 0.00 43.02 40.34 1x5l s PHE 94 CO 0.44 0.41 0.91 -1.54 -0.10 0.00 0.00 175.22 175.35 1x5l s SER 95 N -1.75 -1.18 0.65 1.36 1.04 -0.81 -4.93 113.70 108.07 1x5l s SER 95 Ca 0.39 0.95 -0.18 0.00 0.48 0.00 0.00 55.95 57.59 1x5l s SER 95 Cb -0.15 -1.37 -0.01 0.00 0.10 0.00 0.00 66.02 64.60 1x5l s SER 95 CO 0.19 -5.45 1.26 -1.10 0.98 0.00 0.00 173.24 169.12 1x5l s GLN 96 N -4.96 2.56 -0.46 4.02 -0.21 -1.26 -4.82 119.66 114.51 1x5l s GLN 96 Ca 0.68 1.96 -0.27 0.00 0.02 0.00 0.00 55.36 57.75 1x5l s GLN 96 Cb -0.15 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.95 1x5l s GLN 96 CO 0.59 -1.56 2.17 0.00 -2.12 0.00 0.00 175.29 174.36 1x5l s ALA 97 N -1.55 2.07 -0.14 6.09 0.00 -1.26 -4.77 121.76 122.20 1x5l s ALA 97 Ca 0.80 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 1x5l s ALA 97 Cb -0.34 -4.26 -0.04 0.00 0.00 0.00 0.00 23.12 18.48 1x5l s ALA 97 CO 0.39 -3.87 0.56 1.41 0.00 0.00 0.00 175.76 174.26 1x5l s MET 98 N 7.37 4.31 -0.23 0.00 1.75 -1.08 -4.98 119.30 126.43 1x5l s MET 98 Ca 0.88 0.56 -0.08 0.00 -1.25 0.00 0.00 55.69 55.80 1x5l s MET 98 Cb -0.19 -3.49 -0.04 0.00 2.84 0.00 0.00 34.83 33.96 1x5l s MET 98 CO 0.27 0.01 0.10 -1.21 -0.65 0.00 0.00 175.02 173.53 1x5l s GLU 99 N 1.09 3.86 -0.01 4.11 2.02 -1.26 -1.73 118.70 126.78 1x5l s GLU 99 Ca 0.29 -0.38 -0.01 0.00 0.02 0.00 0.00 54.97 54.89 1x5l s GLU 99 Cb -0.16 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.72 1x5l s GLU 99 CO 0.12 0.01 0.02 0.08 0.02 0.00 0.00 175.26 175.51 1x5l s VAL 100 N 1.12 -0.01 -0.13 2.63 1.01 -0.98 -5.00 120.40 119.04 1x5l s VAL 100 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1x5l s VAL 100 Cb -0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1x5l s VAL 100 CO 0.04 0.02 -0.16 -0.70 0.00 0.00 0.00 175.10 174.29 1x5l s GLU 101 N 0.21 3.28 0.95 2.72 2.12 -1.26 -0.07 118.70 126.65 1x5l s GLU 101 Ca -0.02 -0.74 -0.13 0.00 0.36 0.00 0.00 54.97 54.44 1x5l s GLU 101 Cb -0.02 -2.55 0.16 0.00 0.26 0.00 0.00 34.13 31.98 1x5l s GLU 101 CO -0.01 0.18 1.13 0.95 -0.54 0.00 0.00 175.26 176.97 1x5l s THR 102 N 0.41 1.98 -0.02 -1.70 -4.23 -1.25 -4.97 115.64 105.87 1x5l s THR 102 Ca -0.12 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.09 1x5l s THR 102 Cb -0.16 -2.67 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 1x5l s THR 102 CO 0.06 0.00 1.38 -0.83 -0.54 0.00 0.00 174.62 174.69 1x5l s GLY 103 N -3.89 1.85 0.61 3.99 0.00 -1.13 -4.04 107.32 104.71 1x5l s GLY 103 Ca 0.65 0.82 -0.19 0.00 0.00 0.00 0.00 44.72 45.99 1x5l s GLY 103 CO 0.55 2.50 1.28 0.54 0.00 0.00 0.00 173.10 177.97 1x5l s LYS 104 N 2.56 2.82 0.27 2.90 1.02 -1.26 -3.27 119.74 124.78 1x5l s LYS 104 Ca 0.63 2.04 0.05 0.00 0.02 0.00 0.00 55.97 58.70 1x5l s LYS 104 Cb -0.30 -1.97 0.36 0.00 -0.52 0.00 0.00 37.83 35.40 1x5l s LYS 104 CO 0.25 -1.38 1.65 -1.00 -0.92 0.00 0.00 175.35 173.95 1x5l h PRO 105 N 0.88 0.29 -0.75 -1.68 0.13 -1.94 -3.25 132.00 125.69 1x5l h PRO 105 Ca -0.51 -0.15 0.22 0.00 -0.87 0.00 0.00 66.00 64.69 1x5l h PRO 105 Cb 1.32 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1x5l h PRO 105 CO 0.55 0.70 0.08 -1.13 -0.23 0.00 0.00 178.00 177.96 1x5l n SER 106 N -3.99 -0.03 -0.87 1.44 3.41 -1.26 -4.76 113.62 107.56 1x5l n SER 106 Ca -0.02 1.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1x5l n SER 106 Cb 0.52 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1x5l n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5l n GLY 107 N -1.35 1.28 3.60 5.00 0.00 -1.23 -5.18 105.19 107.32 1x5l n GLY 107 Ca 0.19 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.62 -1.03 -0.07 1.61 0.04 -1.26 -4.59 135.00 128.07 1x5l s PRO 108 Ca 0.00 0.01 -0.27 0.00 0.04 0.00 0.00 61.00 60.78 1x5l s PRO 108 Cb 0.00 -1.61 -0.22 0.00 0.04 0.00 0.00 34.50 32.70 1x5l s PRO 108 CO 0.00 -3.60 1.03 1.03 0.04 0.00 0.00 177.00 175.50 1x5l h SER 109 N -2.50 -0.01 -2.65 6.66 0.87 -1.98 -3.46 113.55 110.47 1x5l h SER 109 Ca -0.46 -0.69 -0.58 0.00 -1.23 0.00 0.00 61.79 58.83 1x5l h SER 109 Cb 1.30 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.16 1x5l h SER 109 CO 0.37 0.69 -0.63 -0.94 -0.53 0.00 0.00 176.83 175.79 1x5l s SER 110 N -5.90 4.86 0.00 6.23 1.04 -1.26 -5.14 113.70 113.53 1x5l s SER 110 Ca -0.17 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1x5l s SER 110 Cb -0.00 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1x5l s SER 110 CO 0.67 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.55