#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 -0.02 -4.98 1.61 0.87 -2.12 -3.49 113.55 105.41 1x5l h SER 2 Ca 0.00 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 1x5l h SER 2 Cb 0.00 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 61.83 1x5l h SER 2 CO 0.00 0.65 0.22 -0.55 -0.53 0.00 0.00 176.83 176.62 1x5l s SER 3 N -5.76 -0.57 0.00 6.23 0.15 -1.26 -5.06 113.70 107.43 1x5l s SER 3 Ca -0.08 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1x5l s SER 3 Cb -0.01 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1x5l s SER 3 CO 0.28 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1x5l n GLY 4 N -0.19 0.38 3.76 9.45 0.00 -1.26 -5.17 105.19 112.17 1x5l n GLY 4 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1x5l n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5l s SER 5 N -0.11 5.16 0.72 1.61 0.01 -1.26 -5.02 113.70 114.81 1x5l s SER 5 Ca 0.00 -0.41 -0.11 0.00 1.31 0.00 0.00 55.95 56.75 1x5l s SER 5 Cb 0.00 -1.18 0.02 0.00 0.21 0.00 0.00 66.02 65.07 1x5l s SER 5 CO 0.00 -0.04 1.07 -0.55 0.41 0.00 0.00 173.24 174.13 1x5l s SER 6 N -3.79 5.11 0.00 2.44 0.15 -1.26 -5.05 113.70 111.30 1x5l s SER 6 Ca 0.33 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1x5l s SER 6 Cb -0.07 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1x5l s SER 6 CO 0.23 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.67 1x5l n GLY 7 N -1.88 1.41 3.62 9.45 0.00 -1.26 -5.07 105.19 111.46 1x5l n GLY 7 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 2.04 0.06 1.61 -0.21 -1.26 -5.16 119.66 116.74 1x5l s GLN 8 Ca 0.00 -2.26 0.10 0.00 0.02 0.00 0.00 55.36 53.21 1x5l s GLN 8 Cb 0.00 -1.03 -0.03 0.00 1.00 0.00 0.00 33.01 32.95 1x5l s GLN 8 CO 0.00 -0.41 -0.26 0.00 -2.12 0.00 0.00 175.29 172.50 1x5l s ALA 9 N -3.06 2.31 0.61 6.09 0.00 -1.26 -5.04 121.76 121.41 1x5l s ALA 9 Ca 0.17 -1.31 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 1x5l s ALA 9 Cb 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1x5l s ALA 9 CO 0.10 0.54 1.13 0.00 0.00 0.00 0.00 175.76 177.53 1x5l n ALA 10 N 1.58 0.70 -1.15 0.00 0.00 -1.26 -4.73 120.51 115.64 1x5l n ALA 10 Ca -0.17 0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 1x5l n ALA 10 Cb 0.52 -2.22 0.18 0.00 0.00 0.00 0.00 19.45 17.94 1x5l n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5l s PRO 11 N -2.96 0.28 -0.22 0.00 0.04 -1.24 -4.73 135.00 126.17 1x5l s PRO 11 Ca 0.77 0.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 1x5l s PRO 11 Cb -0.41 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1x5l s PRO 11 CO 0.45 -2.83 0.83 -1.12 0.04 0.00 0.00 177.00 174.38 1x5l s SER 12 N -3.45 6.88 -0.02 6.66 0.01 0.27 -4.80 113.70 119.24 1x5l s SER 12 Ca 0.66 1.09 -0.35 0.00 1.31 0.00 0.00 55.95 58.66 1x5l s SER 12 Cb -0.19 -2.44 -0.13 0.00 0.21 0.00 0.00 66.02 63.47 1x5l s SER 12 CO 0.58 -0.48 1.75 1.67 0.41 0.00 0.00 173.24 177.17 1x5l n GLN 13 N 5.77 2.03 -1.68 12.44 7.27 -1.26 -4.67 117.38 137.28 1x5l n GLN 13 Ca 0.05 0.74 -0.46 0.00 0.07 0.00 0.00 57.00 57.40 1x5l n GLN 13 Cb 0.48 -2.54 -0.04 0.00 2.41 0.00 0.00 30.24 30.55 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 4.45 0.47 -0.38 1.69 0.31 -1.26 -4.85 118.33 118.75 1x5l n VAL 14 Ca 0.21 -0.08 0.04 0.00 -0.01 0.00 0.00 64.34 64.50 1x5l n VAL 14 Cb 0.27 -1.91 0.08 0.00 -0.91 0.00 0.00 33.84 31.37 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 4.81 1.33 -3.93 2.52 0.24 -1.26 -4.20 118.33 117.84 1x5l n VAL 15 Ca 0.20 -1.39 -0.30 0.00 -2.04 0.00 0.00 64.34 60.82 1x5l n VAL 15 Cb 0.32 0.25 -0.16 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.62 1.46 -0.01 3.34 0.11 -1.26 -4.97 120.40 117.45 1x5l s VAL 16 Ca 0.15 -1.15 -0.03 0.00 -2.93 0.00 0.00 61.98 58.02 1x5l s VAL 16 Cb 0.12 -1.73 -0.00 0.00 -1.53 0.00 0.00 36.38 33.24 1x5l s VAL 16 CO 0.04 -0.09 0.06 -0.63 -3.33 0.00 0.00 175.10 171.15 1x5l s ILE 17 N 1.43 0.04 0.20 7.04 1.01 -1.26 -3.79 121.20 125.87 1x5l s ILE 17 Ca -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1x5l s ILE 17 Cb -0.19 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1x5l s ILE 17 CO -0.06 -0.19 0.15 -0.13 0.00 0.00 0.00 174.94 174.70 1x5l s ARG 18 N -0.59 1.20 -0.32 2.79 0.52 0.21 -4.94 118.95 117.83 1x5l s ARG 18 Ca -0.07 -1.59 0.01 0.00 -0.52 0.00 0.00 55.73 53.56 1x5l s ARG 18 Cb -0.04 0.28 0.08 0.00 0.52 0.00 0.00 34.95 35.79 1x5l s ARG 18 CO 0.00 -0.40 0.02 -1.14 0.02 0.00 0.00 175.30 173.80 1x5l s GLN 19 N -4.14 1.98 0.00 3.54 0.74 -1.26 -0.12 119.66 120.40 1x5l s GLN 19 Ca 0.37 -1.59 -0.06 0.00 0.05 0.00 0.00 55.36 54.14 1x5l s GLN 19 Cb 0.07 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.98 1x5l s GLN 19 CO 0.11 -0.78 0.85 0.93 -0.55 0.00 0.00 175.29 175.85 1x5l h GLU 20 N 7.81 -0.19 -4.50 1.67 4.39 -1.90 -3.46 114.58 118.40 1x5l h GLU 20 Ca -0.13 0.01 -0.41 0.00 0.34 0.00 0.00 59.36 59.17 1x5l h GLU 20 Cb 1.04 0.04 -0.31 0.00 -0.10 0.00 0.00 28.75 29.42 1x5l h GLU 20 CO 0.53 -0.13 -0.78 1.03 -1.16 0.00 0.00 179.01 178.50 1x5l s ARG 21 N -3.00 0.88 -0.33 2.33 0.52 -1.26 -5.02 118.95 113.07 1x5l s ARG 21 Ca -0.03 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1x5l s ARG 21 Cb 0.00 -0.83 0.09 0.00 0.52 0.00 0.00 34.95 34.73 1x5l s ARG 21 CO 0.09 0.09 0.04 0.00 0.02 0.00 0.00 175.30 175.54 1x5l s ALA 22 N 0.23 2.87 0.62 2.13 0.00 -1.26 -1.14 121.76 125.20 1x5l s ALA 22 Ca -0.03 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.62 1x5l s ALA 22 Cb -0.08 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1x5l s ALA 22 CO 0.00 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1x5l n GLY 23 N 4.38 1.00 0.09 0.00 0.00 0.13 -4.74 105.19 106.05 1x5l n GLY 23 Ca -0.02 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 1x5l n GLY 23 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1x5l h GLN 24 N 0.00 0.00 -0.07 1.61 4.15 -1.95 -2.47 115.11 116.39 1x5l h GLN 24 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1x5l h GLN 24 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1x5l h GLN 24 CO 0.00 0.81 0.00 0.25 -1.93 0.00 0.00 178.83 177.96 1x5l n THR 25 N -4.50 1.76 -3.78 2.39 -2.24 -1.26 -4.06 114.28 102.60 1x5l n THR 25 Ca -0.24 -1.91 -0.13 0.00 -2.27 0.00 0.00 64.05 59.50 1x5l n THR 25 Cb 0.56 -0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.28 -0.26 -0.06 3.42 1.04 -1.26 -2.56 113.70 111.73 1x5l s SER 26 Ca 0.28 0.47 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 1x5l s SER 26 Cb 0.23 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.90 1x5l s SER 26 CO 0.04 -0.15 0.14 -0.69 0.98 0.00 0.00 173.24 173.57 1x5l s VAL 27 N -0.10 -0.02 0.17 5.02 1.01 -0.60 0.19 120.40 126.06 1x5l s VAL 27 Ca -0.02 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1x5l s VAL 27 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1x5l s VAL 27 CO 0.01 0.03 0.31 -0.55 0.00 0.00 0.00 175.10 174.91 1x5l s SER 28 N 0.57 6.34 -0.00 3.32 0.15 -0.29 -0.26 113.70 123.53 1x5l s SER 28 Ca -0.04 0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.82 1x5l s SER 28 Cb -0.06 -1.92 -0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1x5l s SER 28 CO -0.03 0.02 -0.04 -0.76 1.20 0.00 0.00 173.24 173.63 1x5l s LEU 29 N -3.35 2.01 -0.13 3.45 1.43 -0.69 -3.56 118.68 117.84 1x5l s LEU 29 Ca 0.35 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1x5l s LEU 29 Cb -0.11 -0.21 0.01 0.00 0.03 0.00 0.00 46.19 45.92 1x5l s LEU 29 CO 0.29 0.04 -0.22 -0.76 0.23 0.00 0.00 176.35 175.93 1x5l s LEU 30 N -0.12 2.07 -0.09 1.79 1.43 0.83 -3.38 118.68 121.22 1x5l s LEU 30 Ca 0.01 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1x5l s LEU 30 Cb -0.02 -1.41 0.04 0.00 0.03 0.00 0.00 46.19 44.84 1x5l s LEU 30 CO -0.00 0.09 0.20 -1.66 0.23 0.00 0.00 176.35 175.21 1x5l s TRP 31 N 0.73 -0.26 0.43 0.29 -2.14 -1.20 0.67 118.94 117.46 1x5l s TRP 31 Ca -0.09 0.65 0.01 0.00 2.66 0.00 0.00 56.10 59.32 1x5l s TRP 31 Cb -0.16 0.01 -0.01 0.00 -3.10 0.00 0.00 33.47 30.21 1x5l s TRP 31 CO 0.00 -0.19 0.64 1.14 -2.66 0.00 0.00 176.95 175.88 1x5l s GLN 32 N 1.07 3.10 0.51 3.25 -2.07 -1.25 -4.73 119.66 119.55 1x5l s GLN 32 Ca -0.08 -0.53 -0.22 0.00 -1.82 0.00 0.00 55.36 52.71 1x5l s GLN 32 Cb -0.10 -2.59 -0.08 0.00 -1.09 0.00 0.00 33.01 29.15 1x5l s GLN 32 CO -0.06 -0.20 1.05 0.39 -1.32 0.00 0.00 175.29 175.14 1x5l n GLU 33 N -2.01 1.26 -1.50 9.60 1.02 -1.26 -4.84 120.64 122.92 1x5l n GLU 33 Ca 0.01 0.47 -0.32 0.00 -0.02 0.00 0.00 57.16 57.29 1x5l n GLU 33 Cb 0.58 -2.18 0.07 0.00 -0.02 0.00 0.00 31.44 29.88 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 -2.42 2.51 0.16 3.49 0.04 -1.26 -4.95 135.00 132.57 1x5l s PRO 34 Ca 0.69 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 1x5l s PRO 34 Cb -0.48 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.19 1x5l s PRO 34 CO 0.52 -1.46 1.59 0.93 0.04 0.00 0.00 177.00 178.63 1x5l h GLU 35 N -0.57 -0.25 -3.84 4.56 5.08 -1.92 -3.36 114.58 114.28 1x5l h GLU 35 Ca -0.45 0.02 -0.59 0.00 -1.00 0.00 0.00 59.36 57.34 1x5l h GLU 35 Cb 1.24 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 30.15 1x5l h GLU 35 CO 0.53 -0.17 -0.76 -0.65 -1.00 0.00 0.00 179.01 176.96 1x5l s GLN 36 N -5.97 0.97 0.37 2.33 -0.21 -1.26 -4.99 119.66 110.90 1x5l s GLN 36 Ca -0.15 -1.05 0.16 0.00 0.02 0.00 0.00 55.36 54.35 1x5l s GLN 36 Cb 0.13 -2.27 0.72 0.00 1.00 0.00 0.00 33.01 32.59 1x5l s GLN 36 CO 0.67 -0.85 1.78 -1.00 -2.12 0.00 0.00 175.29 173.78 1x5l h PRO 37 N 8.03 0.00 -6.28 2.91 0.13 -1.91 0.80 132.00 135.69 1x5l h PRO 37 Ca -0.14 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.53 1x5l h PRO 37 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1x5l h PRO 37 CO 0.44 0.39 -0.80 0.09 -0.23 0.00 0.00 178.00 177.90 1x5l n ASN 38 N -3.79 -3.10 0.00 1.44 3.02 -1.26 -3.60 115.26 107.97 1x5l n ASN 38 Ca -0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1x5l n ASN 38 Cb 0.46 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 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 -1.67 0.82 3.67 7.41 0.00 -1.26 -4.42 105.19 109.74 1x5l n GLY 39 Ca -0.10 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.21 4.99 -0.55 -0.61 1.09 -1.26 -5.02 121.20 118.62 1x5l s ILE 40 Ca 0.00 1.30 -0.26 0.00 -1.10 0.00 0.00 60.65 60.60 1x5l s ILE 40 Cb 0.00 -3.99 0.04 0.00 -1.06 0.00 0.00 42.46 37.44 1x5l s ILE 40 CO 0.00 0.11 1.02 -0.63 -0.10 0.00 0.00 174.94 175.34 1x5l s ILE 41 N 1.86 4.28 0.09 2.92 1.01 -1.26 -4.00 121.20 126.09 1x5l s ILE 41 Ca 0.31 0.51 -0.33 0.00 0.00 0.00 0.00 60.65 61.15 1x5l s ILE 41 Cb -0.16 -4.59 -0.15 0.00 0.01 0.00 0.00 42.46 37.57 1x5l s ILE 41 CO 0.11 -1.17 1.51 -0.07 0.00 0.00 0.00 174.94 175.33 1x5l h LEU 42 N 11.25 -1.40 -7.08 2.97 3.38 -1.84 -3.46 115.31 119.13 1x5l h LEU 42 Ca -0.26 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1x5l h LEU 42 Cb 1.07 0.50 -0.13 0.00 0.09 0.00 0.00 40.66 42.19 1x5l h LEU 42 CO 1.12 -0.57 0.15 -1.83 0.09 0.00 0.00 178.44 177.40 1x5l s GLU 43 N -5.59 1.22 -0.36 1.13 -1.05 -1.25 -4.90 118.70 107.90 1x5l s GLU 43 Ca -0.16 -0.46 -0.16 0.00 -0.15 0.00 0.00 54.97 54.04 1x5l s GLU 43 Cb 0.05 0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 34.29 1x5l s GLU 43 CO 0.56 -0.51 0.40 0.71 0.95 0.00 0.00 175.26 177.37 1x5l s TYR 44 N -3.55 3.20 -0.30 4.83 2.02 0.46 -3.43 117.35 120.57 1x5l s TYR 44 Ca 0.00 -0.04 -0.26 0.00 -0.37 0.00 0.00 57.07 56.40 1x5l s TYR 44 Cb -0.00 -2.75 0.01 0.00 -0.40 0.00 0.00 41.96 38.81 1x5l s TYR 44 CO -0.11 -0.49 0.91 -2.00 -1.57 0.00 0.00 175.55 172.28 1x5l s GLU 45 N 2.10 4.04 -0.26 -0.62 2.56 -0.25 -1.70 118.70 124.57 1x5l s GLU 45 Ca 0.13 0.84 -0.09 0.00 0.00 0.00 0.00 54.97 55.85 1x5l s GLU 45 Cb -0.16 -3.72 -0.04 0.00 2.00 0.00 0.00 34.13 32.21 1x5l s GLU 45 CO 0.12 -0.73 0.13 0.42 -0.56 0.00 0.00 175.26 174.64 1x5l s ILE 46 N 3.19 4.84 -0.33 -3.70 1.01 0.11 -1.28 121.20 125.03 1x5l s ILE 46 Ca 0.38 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 1x5l s ILE 46 Cb -0.14 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 1x5l s ILE 46 CO 0.12 0.30 0.22 -0.75 0.00 0.00 0.00 174.94 174.83 1x5l s LYS 47 N 1.64 3.42 -0.11 2.79 2.20 0.76 0.74 119.74 131.18 1x5l s LYS 47 Ca 0.07 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1x5l s LYS 47 Cb -0.15 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 32.44 1x5l s LYS 47 CO 0.07 -0.45 -0.15 1.52 -0.36 0.00 0.00 175.35 175.99 1x5l s TYR 48 N 1.69 1.93 0.06 4.03 1.13 -0.27 0.06 117.35 125.99 1x5l s TYR 48 Ca 0.06 -0.91 -0.05 0.00 -1.41 0.00 0.00 57.07 54.76 1x5l s TYR 48 Cb -0.17 -1.40 -0.02 0.00 -1.10 0.00 0.00 41.96 39.26 1x5l s TYR 48 CO 0.09 -0.47 0.07 1.52 -2.51 0.00 0.00 175.55 174.25 1x5l s TYR 49 N 1.01 0.33 -0.10 -3.49 -0.85 -0.84 -0.84 117.35 112.59 1x5l s TYR 49 Ca -0.06 -0.80 -0.29 0.00 -0.52 0.00 0.00 57.07 55.39 1x5l s TYR 49 Cb -0.15 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 41.93 1x5l s TYR 49 CO -0.02 -0.44 1.52 -1.21 -1.52 0.00 0.00 175.55 173.88 1x5l s GLU 50 N -3.69 4.19 0.24 -3.49 2.02 -1.26 -0.57 118.70 116.13 1x5l s GLU 50 Ca 0.04 2.00 -0.09 0.00 0.02 0.00 0.00 54.97 56.94 1x5l s GLU 50 Cb 0.05 -3.91 0.38 0.00 0.10 0.00 0.00 34.13 30.75 1x5l s GLU 50 CO -0.10 -0.81 1.62 -0.22 0.02 0.00 0.00 175.26 175.77 1x5l h LYS 51 N 9.12 0.04 -0.22 1.61 1.63 -1.11 2.33 116.57 129.97 1x5l h LYS 51 Ca -0.35 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.40 1x5l h LYS 51 Cb 1.15 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1x5l h LYS 51 CO 0.96 0.03 -0.07 0.22 -3.45 0.00 0.00 179.45 177.14 1x5l h ASP 52 N 0.04 0.44 -0.27 4.20 3.58 -1.91 -2.83 116.42 119.68 1x5l h ASP 52 Ca 0.39 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1x5l h ASP 52 Cb 0.65 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1x5l h ASP 52 CO -0.72 0.73 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 1x5l n LYS 53 N -4.57 2.57 -0.41 0.28 4.76 -0.08 -4.41 118.16 116.30 1x5l n LYS 53 Ca -0.04 -1.38 0.33 0.00 -2.87 0.00 0.00 58.31 54.35 1x5l n LYS 53 Cb 0.30 -1.73 0.62 0.00 -1.84 0.00 0.00 35.03 32.38 1x5l n LYS 53 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1x5l h GLU 54 N 1.83 0.16 0.01 1.97 4.22 0.41 -0.65 114.58 122.53 1x5l h GLU 54 Ca 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1x5l h GLU 54 Cb 1.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1x5l h GLU 54 CO 0.18 0.11 -0.00 0.52 -2.18 0.00 0.00 179.01 177.64 1x5l h MET 55 N 0.17 -0.01 -0.11 1.92 2.86 -1.83 -3.38 114.93 114.55 1x5l h MET 55 Ca 0.75 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.40 1x5l h MET 55 Cb 2.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.93 1x5l h MET 55 CO -0.36 0.50 -0.06 0.94 1.06 0.00 0.00 176.91 178.99 1x5l n GLN 56 N -4.70 -0.05 -3.49 1.72 -0.06 -0.27 -4.78 117.38 105.75 1x5l n GLN 56 Ca -0.05 0.71 -0.10 0.00 -2.00 0.00 0.00 57.00 55.57 1x5l n GLN 56 Cb 0.25 -1.07 -0.02 0.00 -4.06 0.00 0.00 30.24 25.34 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 -3.38 -0.43 0.07 1.69 0.15 -1.06 -5.17 113.70 105.58 1x5l s SER 57 Ca -0.01 -0.03 0.08 0.00 0.70 0.00 0.00 55.95 56.68 1x5l s SER 57 Cb 0.01 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1x5l s SER 57 CO 0.07 -0.78 -0.20 -0.72 1.20 0.00 0.00 173.24 172.81 1x5l s TYR 58 N -3.38 1.75 0.18 3.44 -0.85 -1.26 -4.51 117.35 112.72 1x5l s TYR 58 Ca 0.04 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.23 1x5l s TYR 58 Cb -0.01 -1.00 -0.03 0.00 0.38 0.00 0.00 41.96 41.29 1x5l s TYR 58 CO -0.10 0.14 0.29 0.45 -1.52 0.00 0.00 175.55 174.82 1x5l s SER 59 N -1.53 6.26 0.04 -0.18 0.15 -0.02 -4.98 113.70 113.45 1x5l s SER 59 Ca 0.06 0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.87 1x5l s SER 59 Cb -0.09 -1.85 -0.02 0.00 -1.71 0.00 0.00 66.02 62.34 1x5l s SER 59 CO 0.03 0.02 -0.13 -0.89 1.20 0.00 0.00 173.24 173.47 1x5l s THR 60 N -1.82 0.99 0.04 6.45 2.01 -1.26 -1.12 115.64 120.93 1x5l s THR 60 Ca 0.34 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1x5l s THR 60 Cb -0.10 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1x5l s THR 60 CO 0.28 -0.10 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.85 1x5l s LEU 61 N -1.28 2.30 -0.08 4.42 2.96 0.23 -4.95 118.68 122.28 1x5l s LEU 61 Ca -0.01 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 1x5l s LEU 61 Cb -0.08 -0.00 -0.02 0.00 0.50 0.00 0.00 46.19 46.59 1x5l s LEU 61 CO 0.01 -0.31 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.01 1x5l s LYS 62 N -1.99 2.82 -0.03 1.98 3.01 -1.26 0.08 119.74 124.34 1x5l s LYS 62 Ca -0.09 -0.77 0.01 0.00 -1.01 0.00 0.00 55.97 54.12 1x5l s LYS 62 Cb -0.07 -2.39 0.02 0.00 -1.01 0.00 0.00 37.83 34.38 1x5l s LYS 62 CO -0.02 0.40 -0.05 0.00 0.51 0.00 0.00 175.35 176.19 1x5l s ALA 63 N -0.17 0.64 -0.06 5.17 0.00 -0.69 -4.97 121.76 121.68 1x5l s ALA 63 Ca -0.01 -0.10 0.14 0.00 0.00 0.00 0.00 51.96 51.98 1x5l s ALA 63 Cb -0.14 -0.35 -0.19 0.00 0.00 0.00 0.00 23.12 22.44 1x5l s ALA 63 CO 0.03 0.03 0.78 -0.39 0.00 0.00 0.00 175.76 176.22 1x5l h VAL 64 N 5.90 0.80 -1.24 0.00 -1.51 -1.90 0.13 116.25 118.44 1x5l h VAL 64 Ca -0.37 -2.52 -0.48 0.00 -1.23 0.00 0.00 66.70 62.11 1x5l h VAL 64 Cb 1.16 2.33 -0.00 0.00 -2.13 0.00 0.00 31.29 32.65 1x5l h VAL 64 CO 0.48 0.46 -0.27 0.28 -1.23 0.00 0.00 177.57 177.29 1x5l s THR 65 N -2.72 2.56 -1.87 7.19 -1.32 -1.26 -4.82 115.64 113.40 1x5l s THR 65 Ca -0.03 -1.17 0.01 0.00 -1.21 0.00 0.00 61.69 59.28 1x5l s THR 65 Cb 0.08 -2.73 0.02 0.00 -1.51 0.00 0.00 72.50 68.36 1x5l s THR 65 CO 0.82 0.00 0.95 0.35 -2.21 0.00 0.00 174.62 174.53 1x5l n THR 66 N -1.82 0.03 -4.01 5.08 -2.24 -1.26 -4.69 114.28 105.37 1x5l n THR 66 Ca 0.07 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.62 1x5l n THR 66 Cb 0.61 -0.05 -0.17 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.85 0.63 0.15 -0.78 0.52 -1.26 -3.26 118.95 113.09 1x5l s ARG 67 Ca 0.01 -0.00 -0.05 0.00 -0.52 0.00 0.00 55.73 55.17 1x5l s ARG 67 Cb 0.01 -0.77 -0.02 0.00 0.52 0.00 0.00 34.95 34.69 1x5l s ARG 67 CO 0.01 -0.15 0.18 0.00 0.02 0.00 0.00 175.30 175.36 1x5l s ALA 68 N 1.19 0.44 -0.16 2.13 0.00 -1.22 -4.91 121.76 119.22 1x5l s ALA 68 Ca -0.07 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 1x5l s ALA 68 Cb -0.14 0.89 0.06 0.00 0.00 0.00 0.00 23.12 23.93 1x5l s ALA 68 CO -0.02 -0.58 0.09 0.99 0.00 0.00 0.00 175.76 176.25 1x5l s THR 69 N -4.01 -0.10 -0.28 0.00 2.01 -1.26 -1.70 115.64 110.29 1x5l s THR 69 Ca 0.21 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1x5l s THR 69 Cb 0.05 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1x5l s THR 69 CO 0.01 -0.24 1.39 -0.69 -0.69 0.00 0.00 174.62 174.40 1x5l s VAL 70 N 2.15 4.01 0.24 3.82 1.01 0.64 -4.87 120.40 127.40 1x5l s VAL 70 Ca 0.02 1.14 0.10 0.00 0.00 0.00 0.00 61.98 63.25 1x5l s VAL 70 Cb -0.16 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1x5l s VAL 70 CO -0.09 -0.42 -0.12 -0.55 0.00 0.00 0.00 175.10 173.92 1x5l s SER 71 N 3.20 4.02 0.00 3.32 0.15 -1.26 -1.56 113.70 121.57 1x5l s SER 71 Ca 0.61 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1x5l s SER 71 Cb -0.19 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1x5l s SER 71 CO 0.25 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1x5l n GLY 72 N -0.41 0.95 3.85 9.45 0.00 -1.06 -5.03 105.19 112.94 1x5l n GLY 72 Ca -0.08 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.56 2.98 -0.11 0.99 1.43 -1.16 -5.10 118.68 117.16 1x5l s LEU 73 Ca 0.00 -1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 51.96 1x5l s LEU 73 Cb 0.00 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1x5l s LEU 73 CO 0.00 -0.83 0.09 -0.54 0.23 0.00 0.00 176.35 175.31 1x5l s LYS 74 N -4.13 3.29 0.84 1.70 1.02 -1.26 -4.68 119.74 116.53 1x5l s LYS 74 Ca 0.39 -0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.04 1x5l s LYS 74 Cb -0.01 -3.05 0.10 0.00 -0.52 0.00 0.00 37.83 34.34 1x5l s LYS 74 CO 0.23 0.75 1.09 -1.25 -0.92 0.00 0.00 175.35 175.25 1x5l s PRO 75 N -0.96 1.71 -1.67 -1.68 0.04 -1.26 -3.74 135.00 127.44 1x5l s PRO 75 Ca 0.14 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 1x5l s PRO 75 Cb -0.12 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 32.68 1x5l s PRO 75 CO 0.03 -1.97 0.43 0.41 0.04 0.00 0.00 177.00 175.95 1x5l n GLY 76 N -1.16 -0.30 2.84 0.56 0.00 -1.16 -4.84 105.19 101.14 1x5l n GLY 76 Ca 0.08 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.72 -0.27 0.37 2.61 2.01 -1.25 -4.99 115.64 110.40 1x5l s THR 77 Ca 0.43 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.49 1x5l s THR 77 Cb -0.24 -0.31 -0.11 0.00 0.01 0.00 0.00 72.50 71.85 1x5l s THR 77 CO 0.97 0.14 1.46 0.54 -0.69 0.00 0.00 174.62 177.05 1x5l n ARG 78 N 5.33 2.58 -4.29 4.92 1.74 -1.26 -3.84 116.66 121.84 1x5l n ARG 78 Ca -0.05 0.91 -0.17 0.00 -0.77 0.00 0.00 57.85 57.77 1x5l n ARG 78 Cb 0.50 -2.62 -0.10 0.00 -1.02 0.00 0.00 32.46 29.22 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 -1.04 1.47 -0.18 -1.55 2.02 0.47 -0.57 117.35 117.98 1x5l s TYR 79 Ca 0.54 -0.64 -0.00 0.00 -0.37 0.00 0.00 57.07 56.60 1x5l s TYR 79 Cb -0.49 -0.72 0.05 0.00 -0.40 0.00 0.00 41.96 40.39 1x5l s TYR 79 CO 0.63 0.21 -0.05 0.08 -1.57 0.00 0.00 175.55 174.85 1x5l s VAL 80 N -2.94 1.14 0.05 0.71 1.01 0.26 -0.18 120.40 120.45 1x5l s VAL 80 Ca 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1x5l s VAL 80 Cb -0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1x5l s VAL 80 CO 0.04 0.07 0.16 -0.36 0.00 0.00 0.00 175.10 175.00 1x5l s PHE 81 N 1.61 3.42 -0.27 5.22 0.08 0.09 -1.98 117.98 126.16 1x5l s PHE 81 Ca -0.00 0.21 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 1x5l s PHE 81 Cb -0.16 -1.73 0.15 0.00 -0.57 0.00 0.00 43.02 40.71 1x5l s PHE 81 CO -0.07 0.58 0.42 -0.65 -0.10 0.00 0.00 175.22 175.39 1x5l s GLN 82 N -2.34 0.40 0.07 0.44 -0.21 0.11 -2.77 119.66 115.35 1x5l s GLN 82 Ca 0.31 0.41 -0.14 0.00 0.02 0.00 0.00 55.36 55.97 1x5l s GLN 82 Cb -0.13 -0.30 -0.06 0.00 1.00 0.00 0.00 33.01 33.52 1x5l s GLN 82 CO 0.24 -0.81 0.46 0.08 -2.12 0.00 0.00 175.29 173.14 1x5l s VAL 83 N 2.58 4.97 -0.02 1.09 1.01 -1.26 -0.17 120.40 128.59 1x5l s VAL 83 Ca 0.12 0.79 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 1x5l s VAL 83 Cb -0.14 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1x5l s VAL 83 CO -0.22 0.42 0.19 0.00 0.00 0.00 0.00 175.10 175.48 1x5l s ARG 84 N -1.51 0.45 -0.19 2.72 1.70 -0.41 -1.68 118.95 120.03 1x5l s ARG 84 Ca 0.30 -0.16 -0.09 0.00 -0.47 0.00 0.00 55.73 55.31 1x5l s ARG 84 Cb -0.16 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 1x5l s ARG 84 CO 0.17 -0.10 0.12 0.00 -1.08 0.00 0.00 175.30 174.41 1x5l s ALA 85 N -0.94 3.68 -0.13 7.88 0.00 -1.26 -1.09 121.76 129.89 1x5l s ALA 85 Ca -0.10 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1x5l s ALA 85 Cb -0.05 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1x5l s ALA 85 CO 0.02 0.23 -0.17 0.50 0.00 0.00 0.00 175.76 176.33 1x5l s ARG 86 N 0.15 2.52 0.13 0.00 3.52 -1.22 -2.51 118.95 121.54 1x5l s ARG 86 Ca 0.08 -0.66 0.06 0.00 -0.13 0.00 0.00 55.73 55.08 1x5l s ARG 86 Cb -0.11 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 1x5l s ARG 86 CO -0.01 -0.10 -0.01 0.95 -0.81 0.00 0.00 175.30 175.32 1x5l s THR 87 N 1.08 3.84 0.26 4.11 -4.23 -0.05 -2.34 115.64 118.31 1x5l s THR 87 Ca -0.03 -1.20 0.10 0.00 -1.18 0.00 0.00 61.69 59.38 1x5l s THR 87 Cb -0.14 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.11 1x5l s THR 87 CO -0.05 0.02 1.17 -1.54 -0.54 0.00 0.00 174.62 173.68 1x5l n SER 88 N 0.27 0.13 0.31 3.99 3.41 -1.26 0.41 113.62 120.89 1x5l n SER 88 Ca -0.11 1.24 -0.18 0.00 -0.26 0.00 0.00 58.87 59.57 1x5l n SER 88 Cb 0.53 -0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 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 1.48 -1.17 -2.10 7.33 0.00 -1.93 -3.48 119.26 119.39 1x5l h ALA 89 Ca 0.56 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1x5l h ALA 89 Cb 1.39 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1x5l h ALA 89 CO -0.62 -1.18 0.16 0.41 0.00 0.00 0.00 179.25 178.02 1x5l n GLY 90 N -1.55 1.31 3.69 0.00 0.00 0.16 -5.05 105.19 103.76 1x5l n GLY 90 Ca -0.12 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.20 1.49 1.25 0.00 0.00 -1.04 -4.94 107.32 102.87 1x5l s GLY 92 Ca 0.16 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.43 1x5l s GLY 92 CO 0.06 -1.19 0.62 0.54 0.00 0.00 0.00 173.10 173.13 1x5l n ARG 93 N -1.71 -3.36 -3.74 2.90 1.74 -1.26 -4.71 116.66 106.52 1x5l n ARG 93 Ca -0.02 -0.99 -0.33 0.00 -0.77 0.00 0.00 57.85 55.74 1x5l n ARG 93 Cb 0.58 -1.78 -0.05 0.00 -1.02 0.00 0.00 32.46 30.18 1x5l n ARG 93 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1x5l s PHE 94 N -2.15 3.54 1.42 -1.55 0.08 -1.26 -4.57 117.98 113.48 1x5l s PHE 94 Ca 0.56 0.54 -0.22 0.00 0.12 0.00 0.00 56.93 57.93 1x5l s PHE 94 Cb -0.12 -1.98 0.36 0.00 -0.57 0.00 0.00 43.02 40.71 1x5l s PHE 94 CO 0.51 0.54 0.87 -1.13 -0.10 0.00 0.00 175.22 175.91 1x5l n SER 95 N 0.65 -3.75 -4.76 1.36 3.41 -0.68 -4.90 113.62 104.95 1x5l n SER 95 Ca -0.07 -0.74 -0.41 0.00 -0.26 0.00 0.00 58.87 57.39 1x5l n SER 95 Cb 0.52 -1.04 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 1x5l n SER 95 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1x5l s GLN 96 N -4.87 4.22 -0.44 4.33 -0.21 -1.26 -4.83 119.66 116.59 1x5l s GLN 96 Ca 0.66 2.41 -0.29 0.00 0.02 0.00 0.00 55.36 58.16 1x5l s GLN 96 Cb -0.14 -3.04 -0.09 0.00 1.00 0.00 0.00 33.01 30.74 1x5l s GLN 96 CO 0.57 -0.43 2.35 0.00 -2.12 0.00 0.00 175.29 175.67 1x5l n ALA 97 N 1.32 1.07 -2.76 6.09 0.00 -1.26 -4.81 120.51 120.16 1x5l n ALA 97 Ca 0.03 -0.54 -0.37 0.00 0.00 0.00 0.00 53.44 52.57 1x5l n ALA 97 Cb 0.40 -2.93 -0.11 0.00 0.00 0.00 0.00 19.45 16.81 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 7.46 3.87 -0.19 0.00 1.75 -1.11 -5.00 119.30 126.08 1x5l s MET 98 Ca 1.05 -0.36 -0.08 0.00 -1.25 0.00 0.00 55.69 55.04 1x5l s MET 98 Cb -0.44 -3.51 -0.04 0.00 2.84 0.00 0.00 34.83 33.67 1x5l s MET 98 CO 0.35 -0.12 0.08 -1.21 -0.65 0.00 0.00 175.02 173.47 1x5l s GLU 99 N 1.54 4.01 -0.02 4.11 8.01 -1.26 -0.73 118.70 134.36 1x5l s GLU 99 Ca 0.07 -0.32 0.00 0.00 0.01 0.00 0.00 54.97 54.73 1x5l s GLU 99 Cb -0.15 -3.28 0.02 0.00 -4.31 0.00 0.00 34.13 26.41 1x5l s GLU 99 CO 0.07 0.24 -0.00 0.08 0.01 0.00 0.00 175.26 175.66 1x5l s VAL 100 N 0.47 0.16 -0.15 2.63 1.01 0.75 -4.95 120.40 120.32 1x5l s VAL 100 Ca 0.04 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1x5l s VAL 100 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1x5l s VAL 100 CO 0.00 0.12 0.11 -0.70 0.00 0.00 0.00 175.10 174.64 1x5l s GLU 101 N 0.81 3.69 0.72 2.72 2.12 -1.26 -0.39 118.70 127.10 1x5l s GLU 101 Ca -0.08 -0.21 -0.08 0.00 0.36 0.00 0.00 54.97 54.96 1x5l s GLU 101 Cb -0.11 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 31.11 1x5l s GLU 101 CO -0.01 0.57 1.05 0.95 -0.54 0.00 0.00 175.26 177.27 1x5l s THR 102 N -0.43 2.45 0.14 -1.70 -4.23 -1.25 -5.00 115.64 105.62 1x5l s THR 102 Ca 0.11 -0.12 -0.31 0.00 -1.18 0.00 0.00 61.69 60.20 1x5l s THR 102 Cb -0.12 -3.09 -0.08 0.00 1.34 0.00 0.00 72.50 70.56 1x5l s THR 102 CO 0.02 -0.10 1.36 -0.83 -0.54 0.00 0.00 174.62 174.52 1x5l s GLY 103 N -4.50 2.14 0.75 3.99 0.00 -0.93 -3.69 107.32 105.08 1x5l s GLY 103 Ca 0.60 1.11 -0.15 0.00 0.00 0.00 0.00 44.72 46.28 1x5l s GLY 103 CO 0.46 2.25 1.22 0.54 0.00 0.00 0.00 173.10 177.57 1x5l s LYS 104 N 0.70 2.00 0.07 2.90 3.01 -1.26 -2.99 119.74 124.16 1x5l s LYS 104 Ca 0.62 1.82 0.17 0.00 -1.01 0.00 0.00 55.97 57.56 1x5l s LYS 104 Cb -0.37 -1.81 0.70 0.00 -1.01 0.00 0.00 37.83 35.35 1x5l s LYS 104 CO 0.33 -1.96 1.52 -0.35 0.51 0.00 0.00 175.35 175.40 1x5l n PRO 105 N -2.82 0.05 -0.20 -1.68 -0.04 -1.26 -2.95 135.00 126.10 1x5l n PRO 105 Ca 0.14 0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1x5l n PRO 105 Cb 0.50 -1.60 0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1x5l n PRO 105 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x5l h SER 106 N 0.00 0.96 -1.54 3.54 4.64 -2.02 -3.49 113.55 115.64 1x5l h SER 106 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1x5l h SER 106 Cb 0.27 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1x5l h SER 106 CO 0.00 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.57 1x5l n GLY 107 N -0.47 1.89 3.57 -0.77 0.00 -1.15 -5.04 105.19 103.22 1x5l n GLY 107 Ca 0.02 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.91 2.52 -0.09 1.61 0.04 -1.26 -4.59 135.00 131.32 1x5l s PRO 108 Ca 0.00 -0.65 -0.01 0.00 0.04 0.00 0.00 61.00 60.38 1x5l s PRO 108 Cb 0.00 -5.14 0.03 0.00 0.04 0.00 0.00 34.50 29.43 1x5l s PRO 108 CO 0.00 -3.64 -0.04 -1.54 0.04 0.00 0.00 177.00 171.82 1x5l s SER 109 N 7.40 1.81 -0.05 6.66 1.04 -1.26 -5.04 113.70 124.26 1x5l s SER 109 Ca 0.69 -0.18 -0.22 0.00 0.48 0.00 0.00 55.95 56.72 1x5l s SER 109 Cb -0.04 -0.62 -0.16 0.00 0.10 0.00 0.00 66.02 65.30 1x5l s SER 109 CO 0.05 -0.15 0.91 0.77 0.98 0.00 0.00 173.24 175.80 1x5l h SER 110 N 8.18 -0.16 0.00 7.02 4.64 -2.05 -3.48 113.55 127.70 1x5l h SER 110 Ca -0.25 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1x5l h SER 110 Cb 1.13 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1x5l h SER 110 CO 0.34 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 177.31