#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 2.97 0.13 1.61 0.01 -1.26 -5.05 113.70 112.11 1x5l s SER 2 Ca 0.00 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1x5l s SER 2 Cb 0.00 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 1x5l s SER 2 CO 0.00 -2.90 0.29 -0.94 0.41 0.00 0.00 173.24 170.10 1x5l s SER 3 N -3.69 6.37 0.00 2.44 1.04 -1.26 -5.01 113.70 113.59 1x5l s SER 3 Ca 0.65 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1x5l s SER 3 Cb -0.17 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1x5l s SER 3 CO 0.56 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.45 1x5l n GLY 4 N -0.28 2.54 3.67 7.32 0.00 -1.26 -5.07 105.19 112.11 1x5l n GLY 4 Ca -0.05 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1x5l n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5l s SER 5 N 0.00 7.13 0.28 1.61 1.04 -1.26 -4.91 113.70 117.58 1x5l s SER 5 Ca 0.00 1.47 0.03 0.00 0.48 0.00 0.00 55.95 57.92 1x5l s SER 5 Cb 0.00 -2.55 0.70 0.00 0.10 0.00 0.00 66.02 64.28 1x5l s SER 5 CO 0.00 -0.61 1.38 -1.54 0.98 0.00 0.00 173.24 173.45 1x5l n SER 6 N 5.91 -0.08 0.00 7.02 3.41 -1.26 -4.89 113.62 123.74 1x5l n SER 6 Ca 0.11 1.50 0.00 0.00 -0.26 0.00 0.00 58.87 60.22 1x5l n SER 6 Cb 0.47 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1x5l n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5l n GLY 7 N -1.43 1.18 3.67 5.00 0.00 -1.26 -5.07 105.19 107.27 1x5l n GLY 7 Ca 0.21 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 2.05 -0.10 1.61 -0.21 -1.26 -5.11 119.66 116.65 1x5l s GLN 8 Ca 0.00 -2.08 -0.30 0.00 0.02 0.00 0.00 55.36 53.01 1x5l s GLN 8 Cb 0.00 -1.72 -0.01 0.00 1.00 0.00 0.00 33.01 32.28 1x5l s GLN 8 CO 0.00 -0.11 1.00 0.00 -2.12 0.00 0.00 175.29 174.06 1x5l s ALA 9 N -2.70 3.38 0.80 6.09 0.00 -1.26 -4.93 121.76 123.14 1x5l s ALA 9 Ca 0.33 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 1x5l s ALA 9 Cb 0.07 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.85 1x5l s ALA 9 CO 0.18 -0.57 1.14 0.00 0.00 0.00 0.00 175.76 176.51 1x5l s ALA 10 N 1.91 1.95 0.64 0.00 0.00 -1.26 -4.78 121.76 120.22 1x5l s ALA 10 Ca 0.49 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 1x5l s ALA 10 Cb -0.19 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1x5l s ALA 10 CO 0.19 -2.11 1.11 -1.25 0.00 0.00 0.00 175.76 173.70 1x5l s PRO 11 N -4.47 2.91 0.47 0.00 0.04 -1.25 -4.72 135.00 127.98 1x5l s PRO 11 Ca 0.67 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 1x5l s PRO 11 Cb -0.23 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 1x5l s PRO 11 CO 0.52 -1.17 1.11 -1.54 0.04 0.00 0.00 177.00 175.97 1x5l s SER 12 N -2.43 6.25 -0.02 6.66 1.04 0.12 -4.54 113.70 120.78 1x5l s SER 12 Ca 0.68 2.15 -0.30 0.00 0.48 0.00 0.00 55.95 58.96 1x5l s SER 12 Cb -0.21 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.28 1x5l s SER 12 CO 0.39 -0.85 1.30 -1.58 0.98 0.00 0.00 173.24 173.47 1x5l s GLN 13 N -2.86 4.32 -0.44 4.02 -0.44 -1.26 -4.74 119.66 118.25 1x5l s GLN 13 Ca 0.65 1.83 -0.27 0.00 -2.50 0.00 0.00 55.36 55.07 1x5l s GLN 13 Cb -0.24 -3.55 -0.05 0.00 -1.64 0.00 0.00 33.01 27.53 1x5l s GLN 13 CO 0.29 -0.50 2.21 0.08 0.50 0.00 0.00 175.29 177.87 1x5l s VAL 14 N 2.24 3.11 -2.33 1.34 1.01 -1.26 -4.78 120.40 119.74 1x5l s VAL 14 Ca 0.60 0.09 0.21 0.00 0.00 0.00 0.00 61.98 62.88 1x5l s VAL 14 Cb -0.28 -3.24 0.45 0.00 0.00 0.00 0.00 36.38 33.31 1x5l s VAL 14 CO 0.25 -0.21 1.45 1.33 0.00 0.00 0.00 175.10 177.91 1x5l n VAL 15 N 7.75 0.48 -4.00 2.92 0.24 -1.26 -4.34 118.33 120.13 1x5l n VAL 15 Ca 0.31 -0.65 -0.33 0.00 -2.04 0.00 0.00 64.34 61.63 1x5l n VAL 15 Cb 0.52 0.69 -0.14 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.52 2.50 -0.02 3.34 0.11 -1.26 -4.97 120.40 118.58 1x5l s VAL 16 Ca 0.37 -1.67 -0.03 0.00 -2.93 0.00 0.00 61.98 57.71 1x5l s VAL 16 Cb 0.21 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1x5l s VAL 16 CO 0.29 -0.16 0.07 -0.63 -3.33 0.00 0.00 175.10 171.34 1x5l s ILE 17 N 1.12 0.04 0.25 7.04 1.01 -1.26 -3.98 121.20 125.42 1x5l s ILE 17 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1x5l s ILE 17 Cb -0.20 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 1x5l s ILE 17 CO -0.04 -0.16 0.22 -0.13 0.00 0.00 0.00 174.94 174.83 1x5l s ARG 18 N -0.49 1.43 -0.24 2.79 0.52 0.25 -4.95 118.95 118.26 1x5l s ARG 18 Ca -0.06 -1.71 0.02 0.00 -0.52 0.00 0.00 55.73 53.46 1x5l s ARG 18 Cb -0.04 0.31 0.06 0.00 0.52 0.00 0.00 34.95 35.81 1x5l s ARG 18 CO 0.00 -0.51 -0.09 -1.14 0.02 0.00 0.00 175.30 173.59 1x5l s GLN 19 N -3.88 1.96 -0.02 3.54 0.74 -1.26 -0.08 119.66 120.66 1x5l s GLN 19 Ca 0.38 -1.12 -0.22 0.00 0.05 0.00 0.00 55.36 54.44 1x5l s GLN 19 Cb 0.05 -2.70 -0.14 0.00 1.10 0.00 0.00 33.01 31.31 1x5l s GLN 19 CO 0.17 -0.56 1.00 0.93 -0.55 0.00 0.00 175.29 176.28 1x5l h GLU 20 N 7.88 -0.45 -3.08 1.67 4.39 -1.87 -3.47 114.58 119.64 1x5l h GLU 20 Ca -0.20 0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.39 1x5l h GLU 20 Cb 1.06 0.10 -0.24 0.00 -0.10 0.00 0.00 28.75 29.58 1x5l h GLU 20 CO 0.44 -0.13 -0.37 1.03 -1.16 0.00 0.00 179.01 178.82 1x5l s ARG 21 N -4.07 0.43 0.00 2.33 0.52 -1.26 -5.02 118.95 111.88 1x5l s ARG 21 Ca -0.13 0.18 0.07 0.00 -0.52 0.00 0.00 55.73 55.34 1x5l s ARG 21 Cb 0.01 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.66 1x5l s ARG 21 CO 0.45 -0.08 -0.22 0.00 0.02 0.00 0.00 175.30 175.46 1x5l s ALA 22 N -0.34 1.87 0.00 2.13 0.00 -1.26 -0.53 121.76 123.62 1x5l s ALA 22 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1x5l s ALA 22 Cb -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1x5l s ALA 22 CO 0.01 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1x5l n GLY 23 N 2.33 5.00 0.32 0.00 0.00 0.27 -4.78 105.19 108.33 1x5l n GLY 23 Ca -0.16 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1x5l n GLY 23 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1x5l h GLN 24 N 0.00 -0.74 -0.08 1.61 4.20 -1.91 0.23 115.11 118.41 1x5l h GLN 24 Ca 0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1x5l h GLN 24 Cb 0.00 0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1x5l h GLN 24 CO 0.00 -0.50 0.00 0.25 -0.67 0.00 0.00 178.83 177.91 1x5l n THR 25 N -4.95 1.79 -4.06 -0.54 -2.24 -1.26 -3.26 114.28 99.76 1x5l n THR 25 Ca -0.10 -1.91 -0.13 0.00 -2.27 0.00 0.00 64.05 59.64 1x5l n THR 25 Cb 0.30 -0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.26 0.56 -0.20 3.42 1.04 -1.26 0.17 113.70 115.18 1x5l s SER 26 Ca 0.29 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 1x5l s SER 26 Cb 0.24 -0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.41 1x5l s SER 26 CO 0.05 -0.08 0.52 -0.69 0.98 0.00 0.00 173.24 174.01 1x5l s VAL 27 N -0.70 -0.00 0.04 5.02 1.01 0.12 0.93 120.40 126.82 1x5l s VAL 27 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1x5l s VAL 27 Cb -0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1x5l s VAL 27 CO -0.00 0.01 0.02 -0.55 0.00 0.00 0.00 175.10 174.57 1x5l s SER 28 N 0.64 5.17 -0.02 3.32 0.15 0.31 0.87 113.70 124.14 1x5l s SER 28 Ca -0.03 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.58 1x5l s SER 28 Cb -0.05 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 1x5l s SER 28 CO -0.04 0.22 -0.08 -0.76 1.20 0.00 0.00 173.24 173.78 1x5l s LEU 29 N -1.97 1.79 -0.15 3.45 1.43 -0.84 -3.04 118.68 119.37 1x5l s LEU 29 Ca 0.23 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1x5l s LEU 29 Cb -0.12 -0.49 -0.00 0.00 0.03 0.00 0.00 46.19 45.61 1x5l s LEU 29 CO 0.15 0.06 -0.16 -0.76 0.23 0.00 0.00 176.35 175.87 1x5l s LEU 30 N 0.18 2.48 -0.09 1.79 1.43 0.88 -3.57 118.68 121.77 1x5l s LEU 30 Ca -0.03 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1x5l s LEU 30 Cb -0.08 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1x5l s LEU 30 CO 0.00 0.10 0.21 -1.66 0.23 0.00 0.00 176.35 175.24 1x5l s TRP 31 N 0.72 -0.27 0.59 0.29 -2.14 -1.21 0.86 118.94 117.78 1x5l s TRP 31 Ca -0.07 0.68 -0.01 0.00 2.66 0.00 0.00 56.10 59.37 1x5l s TRP 31 Cb -0.16 0.01 0.04 0.00 -3.10 0.00 0.00 33.47 30.27 1x5l s TRP 31 CO 0.01 -0.21 0.84 1.14 -2.66 0.00 0.00 176.95 176.07 1x5l s GLN 32 N 1.20 2.42 0.23 3.25 -2.07 -1.26 -4.74 119.66 118.69 1x5l s GLN 32 Ca -0.09 -0.67 -0.31 0.00 -1.82 0.00 0.00 55.36 52.46 1x5l s GLN 32 Cb -0.10 -2.41 -0.14 0.00 -1.09 0.00 0.00 33.01 29.27 1x5l s GLN 32 CO -0.07 -0.87 1.27 0.39 -1.32 0.00 0.00 175.29 174.69 1x5l n GLU 33 N -2.50 1.66 -1.20 9.60 1.02 -1.26 -4.87 120.64 123.09 1x5l n GLU 33 Ca 0.08 0.59 -0.30 0.00 -0.02 0.00 0.00 57.16 57.52 1x5l n GLU 33 Cb 0.60 -2.15 0.14 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.60 1.14 0.03 3.49 0.04 -1.26 -4.96 135.00 132.88 1x5l s PRO 34 Ca 0.68 0.78 -0.07 0.00 0.04 0.00 0.00 61.00 62.43 1x5l s PRO 34 Cb -0.72 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1x5l s PRO 34 CO 0.52 -2.31 1.12 0.93 0.04 0.00 0.00 177.00 177.30 1x5l h GLU 35 N -1.60 -0.02 -3.45 4.56 5.08 -1.88 -3.37 114.58 113.90 1x5l h GLU 35 Ca -0.50 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.30 1x5l h GLU 35 Cb 1.29 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.15 1x5l h GLU 35 CO 0.55 -0.02 -0.76 -0.65 -1.00 0.00 0.00 179.01 177.13 1x5l s GLN 36 N -3.54 0.64 0.38 2.33 -0.21 -1.26 -4.98 119.66 113.01 1x5l s GLN 36 Ca -0.03 -0.87 0.28 0.00 0.02 0.00 0.00 55.36 54.76 1x5l s GLN 36 Cb 0.02 -1.89 1.16 0.00 1.00 0.00 0.00 33.01 33.30 1x5l s GLN 36 CO 0.13 -0.92 1.83 -1.00 -2.12 0.00 0.00 175.29 173.21 1x5l h PRO 37 N 8.16 0.00 -5.94 2.91 0.13 -1.89 0.34 132.00 135.72 1x5l h PRO 37 Ca -0.15 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.59 1x5l h PRO 37 Cb 1.03 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.26 1x5l h PRO 37 CO 0.44 0.00 -0.78 0.09 -0.23 0.00 0.00 178.00 177.52 1x5l n ASN 38 N -2.59 -2.65 0.00 1.44 3.02 -1.26 -3.86 115.26 109.36 1x5l n ASN 38 Ca 0.01 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1x5l n ASN 38 Cb 0.25 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 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 -1.50 0.34 3.67 7.41 0.00 -1.26 -4.80 105.19 109.05 1x5l n GLY 39 Ca -0.21 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.12 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 -0.09 4.99 -0.48 -0.61 1.09 -1.26 -5.02 121.20 119.81 1x5l s ILE 40 Ca 0.00 1.34 -0.25 0.00 -1.10 0.00 0.00 60.65 60.65 1x5l s ILE 40 Cb 0.00 -4.01 0.03 0.00 -1.06 0.00 0.00 42.46 37.42 1x5l s ILE 40 CO 0.00 0.11 0.91 -0.63 -0.10 0.00 0.00 174.94 175.23 1x5l s ILE 41 N 1.80 4.47 0.17 2.92 1.01 -1.26 -4.41 121.20 125.90 1x5l s ILE 41 Ca 0.33 0.61 -0.25 0.00 0.00 0.00 0.00 60.65 61.33 1x5l s ILE 41 Cb -0.16 -4.45 0.04 0.00 0.01 0.00 0.00 42.46 37.90 1x5l s ILE 41 CO 0.12 -0.88 1.58 -0.07 0.00 0.00 0.00 174.94 175.68 1x5l h LEU 42 N 10.61 -1.35 -7.55 2.97 3.38 -1.88 -3.45 115.31 118.04 1x5l h LEU 42 Ca -0.25 0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1x5l h LEU 42 Cb 1.08 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 42.36 1x5l h LEU 42 CO 1.03 -0.34 0.20 -1.83 0.09 0.00 0.00 178.44 177.59 1x5l s GLU 43 N -5.89 1.54 -0.38 1.13 4.04 -1.25 -4.88 118.70 113.00 1x5l s GLU 43 Ca -0.14 -0.76 -0.12 0.00 0.04 0.00 0.00 54.97 53.99 1x5l s GLU 43 Cb 0.13 0.59 0.03 0.00 0.02 0.00 0.00 34.13 34.90 1x5l s GLU 43 CO 0.67 -0.69 0.22 0.71 -1.84 0.00 0.00 175.26 174.33 1x5l s TYR 44 N -3.85 3.25 -0.02 4.83 2.02 0.75 -3.00 117.35 121.32 1x5l s TYR 44 Ca 0.07 -0.92 -0.30 0.00 -0.37 0.00 0.00 57.07 55.55 1x5l s TYR 44 Cb -0.03 -2.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.03 1x5l s TYR 44 CO -0.02 -0.64 1.05 -2.00 -1.57 0.00 0.00 175.55 172.36 1x5l s GLU 45 N 1.57 4.48 -0.24 -0.62 2.12 0.05 -2.30 118.70 123.75 1x5l s GLU 45 Ca 0.02 1.51 -0.01 0.00 0.36 0.00 0.00 54.97 56.84 1x5l s GLU 45 Cb -0.19 -3.47 0.03 0.00 0.26 0.00 0.00 34.13 30.75 1x5l s GLU 45 CO 0.07 -0.20 -0.07 0.42 -0.54 0.00 0.00 175.26 174.95 1x5l s ILE 46 N 1.40 2.84 -0.29 -3.70 1.01 0.08 -1.13 121.20 121.41 1x5l s ILE 46 Ca 0.53 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1x5l s ILE 46 Cb -0.22 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1x5l s ILE 46 CO 0.25 0.22 0.09 -0.75 0.00 0.00 0.00 174.94 174.74 1x5l s LYS 47 N 1.32 3.15 -0.13 2.79 2.20 -0.58 -0.16 119.74 128.34 1x5l s LYS 47 Ca 0.00 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1x5l s LYS 47 Cb -0.16 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 1x5l s LYS 47 CO -0.05 -0.42 -0.20 1.52 -0.36 0.00 0.00 175.35 175.84 1x5l s TYR 48 N 1.52 2.46 0.23 4.03 1.13 -0.75 -1.64 117.35 124.34 1x5l s TYR 48 Ca 0.03 -1.22 0.04 0.00 -1.41 0.00 0.00 57.07 54.51 1x5l s TYR 48 Cb -0.17 -1.70 -0.05 0.00 -1.10 0.00 0.00 41.96 38.94 1x5l s TYR 48 CO 0.03 -0.57 -0.01 1.52 -2.51 0.00 0.00 175.55 174.01 1x5l s TYR 49 N 0.86 1.59 -0.08 -3.49 -0.85 -1.06 -2.31 117.35 112.01 1x5l s TYR 49 Ca -0.07 -0.90 -0.29 0.00 -0.52 0.00 0.00 57.07 55.29 1x5l s TYR 49 Cb -0.15 -0.92 -0.07 0.00 0.38 0.00 0.00 41.96 41.20 1x5l s TYR 49 CO -0.02 -0.01 1.97 -1.21 -1.52 0.00 0.00 175.55 174.76 1x5l s GLU 50 N -3.85 3.79 0.26 -3.49 2.02 -1.03 -1.03 118.70 115.38 1x5l s GLU 50 Ca 0.28 2.27 -0.09 0.00 0.02 0.00 0.00 54.97 57.46 1x5l s GLU 50 Cb 0.05 -4.19 0.42 0.00 0.10 0.00 0.00 34.13 30.51 1x5l s GLU 50 CO 0.09 -1.34 1.59 -0.22 0.02 0.00 0.00 175.26 175.40 1x5l h LYS 51 N 11.87 0.01 -0.10 1.61 1.63 -1.39 0.12 116.57 130.32 1x5l h LYS 51 Ca -0.44 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.15 1x5l h LYS 51 Cb 1.22 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1x5l h LYS 51 CO 0.96 0.01 -0.74 0.22 -3.45 0.00 0.00 179.45 176.44 1x5l h ASP 52 N 0.01 0.83 -3.49 4.20 3.58 -1.89 -3.41 116.42 116.24 1x5l h ASP 52 Ca 0.43 -0.66 -0.72 0.00 0.42 0.00 0.00 57.03 56.50 1x5l h ASP 52 Cb 0.69 -0.25 -0.25 0.00 1.72 0.00 0.00 39.33 41.24 1x5l h ASP 52 CO -0.87 1.36 -0.47 -0.54 -2.88 0.00 0.00 179.24 175.84 1x5l s LYS 53 N -3.61 2.76 -0.20 0.28 -0.14 0.41 -4.90 119.74 114.34 1x5l s LYS 53 Ca -0.11 -1.27 0.07 0.00 -1.36 0.00 0.00 55.97 53.30 1x5l s LYS 53 Cb 0.07 -3.82 -0.17 0.00 -1.68 0.00 0.00 37.83 32.23 1x5l s LYS 53 CO 0.88 -0.85 -0.10 0.39 -0.76 0.00 0.00 175.35 174.91 1x5l n GLU 54 N 5.00 0.80 -0.15 1.68 1.02 -1.21 -2.46 120.64 125.32 1x5l n GLU 54 Ca -0.11 0.08 -0.07 0.00 -0.02 0.00 0.00 57.16 57.03 1x5l n GLU 54 Cb 0.44 -1.44 0.08 0.00 -0.02 0.00 0.00 31.44 30.51 1x5l n GLU 54 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1x5l h MET 55 N 0.00 0.91 -6.90 3.49 2.86 -1.91 -3.45 114.93 109.93 1x5l h MET 55 Ca -0.48 -0.30 -0.47 0.00 -2.06 0.00 0.00 59.70 56.39 1x5l h MET 55 Cb 1.88 -0.08 0.22 0.00 0.06 0.00 0.00 31.60 33.68 1x5l h MET 55 CO -0.04 0.95 -0.52 1.04 1.06 0.00 0.00 176.91 179.40 1x5l n GLN 56 N -4.17 -1.53 -1.66 1.72 1.13 -1.26 -4.86 117.38 106.75 1x5l n GLN 56 Ca 0.02 -0.41 -0.43 0.00 -1.94 0.00 0.00 57.00 54.24 1x5l n GLN 56 Cb 0.36 -1.95 -0.00 0.00 0.11 0.00 0.00 30.24 28.76 1x5l n GLN 56 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x5l n SER 57 N -2.92 2.09 -4.47 1.08 2.88 -1.26 -4.97 113.62 106.05 1x5l n SER 57 Ca 0.04 1.15 -0.27 0.00 -1.33 0.00 0.00 58.87 58.46 1x5l n SER 57 Cb 0.57 -1.41 -0.11 0.00 -0.75 0.00 0.00 64.21 62.50 1x5l n SER 57 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1x5l s TYR 58 N -1.14 2.41 -0.16 0.66 -0.85 -1.26 -4.79 117.35 112.22 1x5l s TYR 58 Ca 0.58 -0.32 -0.09 0.00 -0.52 0.00 0.00 57.07 56.73 1x5l s TYR 58 Cb -0.59 -1.20 -0.05 0.00 0.38 0.00 0.00 41.96 40.51 1x5l s TYR 58 CO 0.60 0.49 0.15 -1.12 -1.52 0.00 0.00 175.55 174.15 1x5l s SER 59 N -2.66 6.31 -0.07 -0.18 0.01 -0.98 -5.00 113.70 111.13 1x5l s SER 59 Ca 0.21 0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.86 1x5l s SER 59 Cb -0.08 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1x5l s SER 59 CO 0.11 0.27 -0.14 -0.89 0.41 0.00 0.00 173.24 173.01 1x5l s THR 60 N -0.24 3.08 0.11 1.44 2.01 -1.26 -1.81 115.64 118.97 1x5l s THR 60 Ca 0.12 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.51 1x5l s THR 60 Cb -0.12 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1x5l s THR 60 CO 0.01 0.57 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.05 1x5l s LEU 61 N -0.42 2.29 -0.14 4.42 2.96 0.77 -4.99 118.68 123.57 1x5l s LEU 61 Ca 0.05 -0.70 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1x5l s LEU 61 Cb -0.12 -1.06 -0.00 0.00 0.50 0.00 0.00 46.19 45.51 1x5l s LEU 61 CO 0.02 0.13 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.47 1x5l s LYS 62 N -1.88 3.20 -0.05 1.98 -0.14 -1.26 -0.74 119.74 120.85 1x5l s LYS 62 Ca 0.10 -0.77 0.04 0.00 -1.36 0.00 0.00 55.97 53.99 1x5l s LYS 62 Cb -0.10 -2.57 -0.00 0.00 -1.68 0.00 0.00 37.83 33.48 1x5l s LYS 62 CO 0.05 0.06 -0.17 0.00 -0.76 0.00 0.00 175.35 174.53 1x5l s ALA 63 N 0.69 1.54 -0.06 5.17 0.00 -0.97 -5.01 121.76 123.11 1x5l s ALA 63 Ca -0.08 -0.69 0.13 0.00 0.00 0.00 0.00 51.96 51.32 1x5l s ALA 63 Cb -0.16 -0.52 -0.23 0.00 0.00 0.00 0.00 23.12 22.22 1x5l s ALA 63 CO 0.02 0.27 0.62 1.33 0.00 0.00 0.00 175.76 178.00 1x5l n VAL 64 N 3.17 1.57 -3.36 0.00 0.24 -1.26 -0.18 118.33 118.51 1x5l n VAL 64 Ca -0.18 -0.80 -0.21 0.00 -2.04 0.00 0.00 64.34 61.11 1x5l n VAL 64 Cb 0.53 -0.98 0.01 0.00 -1.47 0.00 0.00 33.84 31.93 1x5l n VAL 64 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1x5l s THR 65 N -2.60 2.32 -1.54 3.34 -1.32 -1.26 -4.78 115.64 109.80 1x5l s THR 65 Ca -0.05 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1x5l s THR 65 Cb 0.08 -2.53 0.01 0.00 -1.51 0.00 0.00 72.50 68.55 1x5l s THR 65 CO 0.83 0.00 0.79 0.35 -2.21 0.00 0.00 174.62 174.37 1x5l n THR 66 N -1.88 0.03 -3.67 5.08 -2.24 -1.26 -4.64 114.28 105.69 1x5l n THR 66 Ca 0.07 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 1x5l n THR 66 Cb 0.62 -0.22 -0.18 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.55 -0.07 0.05 -0.78 0.52 -1.26 -3.29 118.95 112.56 1x5l s ARG 67 Ca 0.01 0.37 -0.02 0.00 -0.52 0.00 0.00 55.73 55.57 1x5l s ARG 67 Cb 0.00 -0.54 -0.03 0.00 0.52 0.00 0.00 34.95 34.90 1x5l s ARG 67 CO 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 175.30 174.99 1x5l s ALA 68 N 2.17 0.33 -0.16 2.13 0.00 -1.23 -4.91 121.76 120.08 1x5l s ALA 68 Ca 0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1x5l s ALA 68 Cb -0.12 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1x5l s ALA 68 CO -0.03 -0.34 -0.05 0.99 0.00 0.00 0.00 175.76 176.32 1x5l s THR 69 N -3.39 1.07 -0.44 0.00 2.01 -1.26 -1.98 115.64 111.65 1x5l s THR 69 Ca 0.02 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1x5l s THR 69 Cb 0.04 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1x5l s THR 69 CO -0.08 0.15 1.12 -0.69 -0.69 0.00 0.00 174.62 174.43 1x5l s VAL 70 N 1.66 4.27 0.27 3.82 1.01 0.25 -4.84 120.40 126.84 1x5l s VAL 70 Ca 0.01 1.34 0.09 0.00 0.00 0.00 0.00 61.98 63.42 1x5l s VAL 70 Cb -0.15 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1x5l s VAL 70 CO -0.08 -0.89 0.02 -0.44 0.00 0.00 0.00 175.10 173.71 1x5l s SER 71 N 2.28 4.63 0.00 3.32 0.01 -1.26 -0.71 113.70 121.97 1x5l s SER 71 Ca 0.47 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1x5l s SER 71 Cb -0.08 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.27 1x5l s SER 71 CO 0.28 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1x5l n GLY 72 N -0.93 0.96 3.94 3.44 0.00 0.13 -4.96 105.19 107.77 1x5l n GLY 72 Ca -0.06 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.81 2.84 -0.18 0.99 1.43 -0.71 -5.05 118.68 117.19 1x5l s LEU 73 Ca 0.00 -1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 51.90 1x5l s LEU 73 Cb 0.00 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 1x5l s LEU 73 CO 0.00 -1.17 0.11 -0.54 0.23 0.00 0.00 176.35 174.98 1x5l s LYS 74 N -4.40 3.95 0.88 1.70 1.02 -1.26 -4.35 119.74 117.28 1x5l s LYS 74 Ca 0.43 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 56.06 1x5l s LYS 74 Cb -0.03 -3.30 0.12 0.00 -0.52 0.00 0.00 37.83 34.09 1x5l s LYS 74 CO 0.27 0.40 1.09 -1.25 -0.92 0.00 0.00 175.35 174.94 1x5l s PRO 75 N 0.05 1.39 -1.72 -1.68 0.04 -1.20 -3.74 135.00 128.14 1x5l s PRO 75 Ca 0.08 0.87 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 1x5l s PRO 75 Cb -0.12 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.75 1x5l s PRO 75 CO -0.00 -2.16 0.51 0.41 0.04 0.00 0.00 177.00 175.80 1x5l n GLY 76 N -1.13 -0.34 2.86 0.56 0.00 -1.08 -4.88 105.19 101.17 1x5l n GLY 76 Ca 0.07 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.57 -0.35 0.32 2.61 2.01 -1.25 -5.01 115.64 110.41 1x5l s THR 77 Ca 0.55 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.38 1x5l s THR 77 Cb -0.31 -0.53 -0.11 0.00 0.01 0.00 0.00 72.50 71.56 1x5l s THR 77 CO 0.98 -0.02 1.53 -0.13 -0.69 0.00 0.00 174.62 176.29 1x5l s ARG 78 N 2.36 4.13 0.15 4.92 0.52 -1.26 -4.02 118.95 125.76 1x5l s ARG 78 Ca 0.04 2.55 0.06 0.00 -0.52 0.00 0.00 55.73 57.86 1x5l s ARG 78 Cb -0.14 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 1x5l s ARG 78 CO -0.10 -0.57 -0.14 0.71 0.02 0.00 0.00 175.30 175.23 1x5l s TYR 79 N -0.48 1.50 -0.30 -0.53 2.02 0.21 -1.10 117.35 118.67 1x5l s TYR 79 Ca 0.58 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1x5l s TYR 79 Cb -0.47 -0.75 0.07 0.00 -0.40 0.00 0.00 41.96 40.41 1x5l s TYR 79 CO 0.54 0.21 -0.02 0.08 -1.57 0.00 0.00 175.55 174.78 1x5l s VAL 80 N -2.54 2.50 0.19 0.71 1.01 -0.19 -1.29 120.40 120.79 1x5l s VAL 80 Ca 0.14 -1.77 -0.13 0.00 0.00 0.00 0.00 61.98 60.23 1x5l s VAL 80 Cb -0.03 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 1x5l s VAL 80 CO 0.04 -0.23 0.57 -0.36 0.00 0.00 0.00 175.10 175.11 1x5l s PHE 81 N 1.10 3.52 -0.24 5.22 0.08 -0.76 -2.55 117.98 124.35 1x5l s PHE 81 Ca -0.02 1.01 -0.03 0.00 0.12 0.00 0.00 56.93 58.01 1x5l s PHE 81 Cb -0.20 -2.34 0.12 0.00 -0.57 0.00 0.00 43.02 40.03 1x5l s PHE 81 CO -0.05 0.34 0.32 -0.65 -0.10 0.00 0.00 175.22 175.09 1x5l s GLN 82 N -2.38 0.30 0.01 0.44 -0.21 -0.65 -2.92 119.66 114.26 1x5l s GLN 82 Ca 0.43 0.37 -0.16 0.00 0.02 0.00 0.00 55.36 56.03 1x5l s GLN 82 Cb -0.13 -0.72 -0.06 0.00 1.00 0.00 0.00 33.01 33.10 1x5l s GLN 82 CO 0.20 -0.68 0.44 0.08 -2.12 0.00 0.00 175.29 173.21 1x5l s VAL 83 N 2.47 4.98 -0.04 1.09 1.01 -1.26 -1.52 120.40 127.12 1x5l s VAL 83 Ca 0.11 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.95 1x5l s VAL 83 Cb -0.15 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1x5l s VAL 83 CO -0.16 0.57 0.14 0.00 0.00 0.00 0.00 175.10 175.65 1x5l s ARG 84 N -1.02 0.24 -0.26 2.72 1.04 -0.28 -1.00 118.95 120.39 1x5l s ARG 84 Ca 0.25 0.07 -0.12 0.00 -1.04 0.00 0.00 55.73 54.89 1x5l s ARG 84 Cb -0.17 0.11 -0.05 0.00 -2.04 0.00 0.00 34.95 32.80 1x5l s ARG 84 CO 0.14 -0.04 0.21 0.00 -0.04 0.00 0.00 175.30 175.58 1x5l s ALA 85 N -0.25 3.56 -0.22 7.88 0.00 -1.26 -0.77 121.76 130.69 1x5l s ALA 85 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1x5l s ALA 85 Cb -0.03 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1x5l s ALA 85 CO 0.00 -0.44 0.01 0.50 0.00 0.00 0.00 175.76 175.83 1x5l s ARG 86 N 1.55 3.55 0.00 0.00 3.52 -1.16 -3.09 118.95 123.33 1x5l s ARG 86 Ca 0.09 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 1x5l s ARG 86 Cb -0.15 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1x5l s ARG 86 CO 0.09 -0.12 0.02 0.95 -0.81 0.00 0.00 175.30 175.43 1x5l s THR 87 N 1.34 4.27 0.25 4.11 -4.23 -0.59 -2.58 115.64 118.22 1x5l s THR 87 Ca 0.04 -0.59 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 1x5l s THR 87 Cb -0.15 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 71.06 1x5l s THR 87 CO 0.01 0.35 1.17 -0.24 -0.54 0.00 0.00 174.62 175.37 1x5l n SER 88 N 1.29 0.07 0.19 3.99 2.88 -1.26 -0.13 113.62 120.65 1x5l n SER 88 Ca -0.14 1.25 -0.10 0.00 -1.33 0.00 0.00 58.87 58.55 1x5l n SER 88 Cb 0.53 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1x5l n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5l h ALA 89 N 1.48 -1.02 -3.00 -1.46 0.00 -1.94 -3.48 119.26 109.84 1x5l h ALA 89 Ca 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1x5l h ALA 89 Cb 1.27 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1x5l h ALA 89 CO -0.64 -1.02 0.00 0.41 0.00 0.00 0.00 179.25 178.00 1x5l n GLY 90 N -1.31 4.38 3.19 0.00 0.00 0.82 -4.96 105.19 107.30 1x5l n GLY 90 Ca -0.07 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1x5l n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5l s GLY 92 N -3.08 1.95 0.57 0.00 0.00 -1.18 -4.58 107.32 101.00 1x5l s GLY 92 Ca 0.14 -1.90 -0.21 0.00 0.00 0.00 0.00 44.72 42.76 1x5l s GLY 92 CO -0.03 -1.92 1.32 0.50 0.00 0.00 0.00 173.10 172.96 1x5l s ARG 93 N -3.61 3.03 0.63 2.90 0.52 -1.26 -4.71 118.95 116.46 1x5l s ARG 93 Ca 0.32 2.12 -0.16 0.00 -0.52 0.00 0.00 55.73 57.49 1x5l s ARG 93 Cb -0.03 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.29 1x5l s ARG 93 CO 0.17 -1.24 1.11 -0.06 0.02 0.00 0.00 175.30 175.30 1x5l s PHE 94 N -1.37 2.68 1.07 -0.53 0.08 -1.26 -4.51 117.98 114.13 1x5l s PHE 94 Ca 0.74 1.54 -0.12 0.00 0.12 0.00 0.00 56.93 59.21 1x5l s PHE 94 Cb -0.38 -3.17 0.23 0.00 -0.57 0.00 0.00 43.02 39.13 1x5l s PHE 94 CO 0.43 -1.59 1.06 -1.54 -0.10 0.00 0.00 175.22 173.48 1x5l s SER 95 N -2.47 1.86 0.47 1.36 1.04 -0.17 -4.86 113.70 110.92 1x5l s SER 95 Ca 0.67 1.47 -0.24 0.00 0.48 0.00 0.00 55.95 58.34 1x5l s SER 95 Cb -0.20 -2.18 -0.08 0.00 0.10 0.00 0.00 66.02 63.65 1x5l s SER 95 CO 0.38 -3.65 1.21 0.00 0.98 0.00 0.00 173.24 172.17 1x5l n GLN 96 N -4.54 1.68 -1.55 4.02 6.02 -1.26 -4.75 117.38 117.00 1x5l n GLN 96 Ca 0.05 0.61 -0.38 0.00 -0.01 0.00 0.00 57.00 57.26 1x5l n GLN 96 Cb 0.55 -2.35 -0.04 0.00 1.02 0.00 0.00 30.24 29.42 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 -0.59 0.95 -2.70 -1.58 0.00 -1.26 -4.81 120.51 110.52 1x5l n ALA 97 Ca 0.09 -0.75 -0.37 0.00 0.00 0.00 0.00 53.44 52.41 1x5l n ALA 97 Cb 0.41 -3.08 -0.07 0.00 0.00 0.00 0.00 19.45 16.71 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 7.91 4.24 -0.22 0.00 1.75 -1.15 -4.99 119.30 126.84 1x5l s MET 98 Ca 1.01 0.19 -0.11 0.00 -1.25 0.00 0.00 55.69 55.54 1x5l s MET 98 Cb -0.30 -3.47 -0.05 0.00 2.84 0.00 0.00 34.83 33.85 1x5l s MET 98 CO 0.30 0.11 0.17 -1.21 -0.65 0.00 0.00 175.02 173.75 1x5l s GLU 99 N 0.83 4.13 -0.02 4.11 2.02 -1.26 -1.82 118.70 126.69 1x5l s GLU 99 Ca 0.19 -0.20 -0.00 0.00 0.02 0.00 0.00 54.97 54.98 1x5l s GLU 99 Cb -0.14 -3.49 0.02 0.00 0.10 0.00 0.00 34.13 30.62 1x5l s GLU 99 CO 0.07 0.15 0.04 0.08 0.02 0.00 0.00 175.26 175.61 1x5l s VAL 100 N 0.80 -0.05 -0.14 2.63 1.01 -0.41 -4.99 120.40 119.24 1x5l s VAL 100 Ca 0.09 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1x5l s VAL 100 Cb -0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1x5l s VAL 100 CO 0.02 0.07 0.03 -0.70 0.00 0.00 0.00 175.10 174.53 1x5l s GLU 101 N 0.86 3.57 0.65 2.72 2.12 -1.26 -0.62 118.70 126.74 1x5l s GLU 101 Ca -0.07 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 54.81 1x5l s GLU 101 Cb -0.10 -3.03 0.02 0.00 0.26 0.00 0.00 34.13 31.28 1x5l s GLU 101 CO -0.03 0.45 0.99 0.95 -0.54 0.00 0.00 175.26 177.09 1x5l s THR 102 N -0.16 3.31 0.29 -1.70 -4.23 -1.26 -4.89 115.64 107.00 1x5l s THR 102 Ca 0.06 0.11 -0.30 0.00 -1.18 0.00 0.00 61.69 60.39 1x5l s THR 102 Cb -0.12 -3.37 -0.11 0.00 1.34 0.00 0.00 72.50 70.24 1x5l s THR 102 CO 0.02 -0.42 1.46 -0.83 -0.54 0.00 0.00 174.62 174.31 1x5l s GLY 103 N -4.37 2.46 0.49 3.99 0.00 0.79 -3.72 107.32 106.97 1x5l s GLY 103 Ca 0.57 1.41 -0.21 0.00 0.00 0.00 0.00 44.72 46.49 1x5l s GLY 103 CO 0.47 2.29 1.12 0.54 0.00 0.00 0.00 173.10 177.52 1x5l s LYS 104 N -0.85 3.63 0.00 2.90 1.02 -1.26 -2.65 119.74 122.53 1x5l s LYS 104 Ca 0.58 1.60 0.11 0.00 0.02 0.00 0.00 55.97 58.29 1x5l s LYS 104 Cb -0.44 -2.19 0.67 0.00 -0.52 0.00 0.00 37.83 35.36 1x5l s LYS 104 CO 0.49 -0.62 1.11 -0.35 -0.92 0.00 0.00 175.35 175.05 1x5l n PRO 105 N -0.88 0.49 -4.29 -1.68 -0.04 -1.26 -4.71 135.00 122.63 1x5l n PRO 105 Ca 0.09 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.28 1x5l n PRO 105 Cb 0.50 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.50 1x5l n PRO 105 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5l s SER 106 N -1.86 4.16 0.00 3.54 0.01 -1.26 -5.12 113.70 113.17 1x5l s SER 106 Ca 0.17 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1x5l s SER 106 Cb 0.08 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1x5l s SER 106 CO 0.13 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1x5l n GLY 107 N 0.26 3.60 3.65 3.44 0.00 -1.26 -5.11 105.19 109.76 1x5l n GLY 107 Ca -0.12 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.12 4.05 0.25 1.61 0.04 -1.26 -4.91 135.00 132.67 1x5l s PRO 108 Ca 0.00 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1x5l s PRO 108 Cb 0.00 -3.96 0.34 0.00 0.04 0.00 0.00 34.50 30.93 1x5l s PRO 108 CO 0.00 -0.98 1.57 1.03 0.04 0.00 0.00 177.00 178.67 1x5l h SER 109 N 9.67 -0.97 0.84 6.66 0.87 -2.04 -1.40 113.55 127.19 1x5l h SER 109 Ca -0.34 0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1x5l h SER 109 Cb 1.15 0.59 0.01 0.00 -0.44 0.00 0.00 62.40 63.71 1x5l h SER 109 CO 0.97 -0.30 -0.43 -1.28 -0.53 0.00 0.00 176.83 175.26 1x5l h SER 110 N -0.02 -1.05 0.00 6.23 0.87 -2.07 -3.57 113.55 113.94 1x5l h SER 110 Ca 0.40 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1x5l h SER 110 Cb 0.63 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1x5l h SER 110 CO -0.91 -0.72 0.00 0.61 -0.53 0.00 0.00 176.83 175.28