#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1l s VAL 2 N 0.00 3.62 -0.16 0.58 0.11 -0.75 -1.53 120.40 122.27 1y1l s VAL 2 Ca 0.00 -1.50 0.02 0.00 -2.93 0.00 0.00 61.98 57.57 1y1l s VAL 2 Cb 0.00 -2.82 0.02 0.00 -1.53 0.00 0.00 36.38 32.04 1y1l s VAL 2 CO 0.00 -0.13 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.22 1y1l s LEU 3 N -2.98 2.08 -0.45 2.54 0.20 -0.68 -2.05 118.68 117.34 1y1l s LEU 3 Ca 0.27 -0.61 -0.16 0.00 0.69 0.00 0.00 54.13 54.33 1y1l s LEU 3 Cb -0.09 -1.43 0.05 0.00 -0.43 0.00 0.00 46.19 44.29 1y1l s LEU 3 CO 0.18 0.04 0.37 -0.36 -0.29 0.00 0.00 176.35 176.29 1y1l s PHE 4 N 1.06 3.23 -0.07 5.38 0.40 -0.33 -0.90 117.98 126.74 1y1l s PHE 4 Ca -0.01 -0.74 0.04 0.00 -0.60 0.00 0.00 56.93 55.62 1y1l s PHE 4 Cb -0.14 -2.95 -0.01 0.00 0.51 0.00 0.00 43.02 40.43 1y1l s PHE 4 CO -0.07 -0.72 -0.20 0.54 0.70 0.00 0.00 175.22 175.46 1y1l s VAL 5 N 1.74 2.46 0.17 -0.44 0.11 -0.92 -1.90 120.40 121.63 1y1l s VAL 5 Ca 0.06 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1y1l s VAL 5 Cb -0.21 -1.94 -0.01 0.00 -1.53 0.00 0.00 36.38 32.68 1y1l s VAL 5 CO 0.09 0.57 0.07 0.00 -3.33 0.00 0.00 175.10 172.49 1y1l n ILE 7 N -0.37 0.00 0.60 0.00 5.41 -1.26 -1.75 119.36 121.98 1y1l n ILE 7 Ca -0.02 0.47 0.08 0.00 1.00 0.00 0.00 62.75 64.29 1y1l n ILE 7 Cb 0.26 -1.16 0.37 0.00 -0.71 0.00 0.00 39.64 38.41 1y1l n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y1l n HIS 8 N -0.20 0.01 -3.54 1.39 1.44 -1.26 0.79 115.22 113.85 1y1l n HIS 8 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 1y1l n HIS 8 Cb 0.00 -0.50 0.00 0.00 0.12 0.00 0.00 29.99 29.61 1y1l n HIS 8 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1y1l n ASN 9 N -1.50 -5.90 0.00 4.39 4.05 -1.26 -4.39 115.26 110.65 1y1l n ASN 9 Ca 0.04 -0.67 0.00 0.00 0.45 0.00 0.00 54.58 54.40 1y1l n ASN 9 Cb 0.20 -3.09 0.00 0.00 1.23 0.00 0.00 39.78 38.12 1y1l n ASN 9 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1y1l n THR 10 N -2.55 0.00 0.00 -0.44 -1.04 -1.26 -4.48 114.28 104.51 1y1l n THR 10 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1y1l n THR 10 Cb 0.61 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 1y1l n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y1l n ALA 11 N -0.88 1.37 -0.24 2.41 0.00 -1.26 -1.50 120.51 120.40 1y1l n ALA 11 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1y1l n ALA 11 Cb 0.11 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.66 1y1l n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y1l h ARG 12 N 0.00 0.03 -0.35 0.00 3.08 -1.97 0.57 114.38 115.74 1y1l h ARG 12 Ca 0.00 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1y1l h ARG 12 Cb 0.00 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 1y1l h ARG 12 CO 0.00 0.02 -0.06 0.77 -1.07 0.00 0.00 179.97 179.63 1y1l h SER 13 N 0.04 -0.27 -0.59 7.04 0.02 -1.92 -0.65 113.55 117.22 1y1l h SER 13 Ca 0.35 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.32 1y1l h SER 13 Cb 0.57 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 1y1l h SER 13 CO -0.68 -0.09 0.04 0.58 -1.14 0.00 0.00 176.83 175.54 1y1l h VAL 14 N 0.03 1.26 0.61 2.27 2.07 -1.18 -2.85 116.25 118.45 1y1l h VAL 14 Ca 0.17 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1y1l h VAL 14 Cb 0.25 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1y1l h VAL 14 CO -0.34 0.39 -0.29 0.24 0.02 0.00 0.00 177.57 177.59 1y1l h MET 15 N 0.95 -0.79 -0.97 1.57 2.07 1.00 -2.84 114.93 115.93 1y1l h MET 15 Ca 0.18 0.05 0.17 0.00 -2.07 0.00 0.00 59.70 58.04 1y1l h MET 15 Cb 0.49 0.18 -0.10 0.00 -1.87 0.00 0.00 31.60 30.29 1y1l h MET 15 CO 0.02 -0.50 0.57 0.00 1.07 0.00 0.00 176.91 178.07 1y1l h ALA 16 N -0.53 1.55 0.86 6.32 0.00 -1.13 -1.73 119.26 124.60 1y1l h ALA 16 Ca -0.08 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1y1l h ALA 16 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1y1l h ALA 16 CO 0.14 -0.03 -0.47 1.49 0.00 0.00 0.00 179.25 180.38 1y1l h GLU 17 N 0.75 -1.19 -0.77 0.00 4.81 -1.47 0.41 114.58 117.13 1y1l h GLU 17 Ca 0.54 0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.97 1y1l h GLU 17 Cb 0.79 0.27 -0.08 0.00 0.63 0.00 0.00 28.75 30.36 1y1l h GLU 17 CO -0.37 -0.79 0.39 0.00 -0.73 0.00 0.00 179.01 177.51 1y1l h ALA 18 N -1.30 1.10 -0.35 2.92 0.00 -1.21 -1.42 119.26 119.01 1y1l h ALA 18 Ca -0.12 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1y1l h ALA 18 Cb 0.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1y1l h ALA 18 CO 0.16 -0.06 -0.34 -0.07 0.00 0.00 0.00 179.25 178.93 1y1l h LEU 19 N 0.61 0.91 0.41 0.00 3.38 -1.30 -2.69 115.31 116.63 1y1l h LEU 19 Ca 0.40 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1y1l h LEU 19 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1y1l h LEU 19 CO -0.31 1.19 -0.37 0.15 0.09 0.00 0.00 178.44 179.18 1y1l h PHE 20 N 0.65 -1.01 -0.69 1.13 3.57 -0.31 -2.50 116.94 117.78 1y1l h PHE 20 Ca 0.06 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.69 1y1l h PHE 20 Cb 0.93 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 40.01 1y1l h PHE 20 CO 0.07 -0.53 0.46 -0.91 -2.23 0.00 0.00 178.31 175.17 1y1l h ASN 21 N -0.80 0.38 0.81 0.41 -0.26 -1.33 0.37 115.58 115.18 1y1l h ASN 21 Ca -0.04 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1y1l h ASN 21 Cb 0.70 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1y1l h ASN 21 CO -0.04 0.21 0.00 0.00 -1.06 0.00 0.00 177.43 176.54 1y1l n ALA 22 N -2.52 2.05 -0.03 -0.83 0.00 -1.01 -3.89 120.51 114.29 1y1l n ALA 22 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 1y1l n ALA 22 Cb 0.46 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1y1l n ALA 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1y1l n MET 23 N -1.55 2.97 -2.78 0.00 2.81 0.42 -5.03 117.12 113.96 1y1l n MET 23 Ca 0.05 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.54 1y1l n MET 23 Cb 0.27 -1.13 -0.05 0.00 -0.71 0.00 0.00 33.22 31.60 1y1l n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y1l s ALA 24 N -2.12 3.32 -0.18 3.04 0.00 0.10 -5.00 121.76 120.92 1y1l s ALA 24 Ca -0.03 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 1y1l s ALA 24 Cb 0.02 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1y1l s ALA 24 CO 0.21 0.13 -0.08 1.17 0.00 0.00 0.00 175.76 177.18 1y1l n LYS 25 N 2.03 0.50 -0.03 0.00 0.00 -1.26 -4.73 118.16 114.68 1y1l n LYS 25 Ca -0.01 0.50 -0.21 0.00 0.00 0.00 0.00 58.31 58.59 1y1l n LYS 25 Cb 0.48 -1.68 -0.13 0.00 0.00 0.00 0.00 35.03 33.70 1y1l n LYS 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1y1l n SER 26 N -4.52 2.07 -4.79 3.14 3.41 -1.26 -4.94 113.62 106.73 1y1l n SER 26 Ca -0.19 0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 58.29 1y1l n SER 26 Cb 0.46 -0.83 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 1y1l n SER 26 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1y1l s TRP 27 N -2.52 2.91 0.47 7.33 0.52 -1.26 -4.93 118.94 121.45 1y1l s TRP 27 Ca -0.25 1.55 0.02 0.00 0.02 0.00 0.00 56.10 57.44 1y1l s TRP 27 Cb 0.07 -3.10 -0.02 0.00 -1.15 0.00 0.00 33.47 29.27 1y1l s TRP 27 CO 0.72 -1.12 0.04 0.15 0.02 0.00 0.00 176.95 176.76 1y1l s LYS 28 N -3.56 2.09 0.04 4.98 1.02 -1.26 -4.73 119.74 118.33 1y1l s LYS 28 Ca 0.67 -2.31 -0.07 0.00 0.02 0.00 0.00 55.97 54.28 1y1l s LYS 28 Cb -0.18 -1.28 -0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1y1l s LYS 28 CO 0.28 -0.36 0.14 0.00 -0.92 0.00 0.00 175.35 174.49 1y1l s ALA 29 N -2.96 -0.20 0.24 5.17 0.00 -1.26 -1.81 121.76 120.93 1y1l s ALA 29 Ca 0.13 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 1y1l s ALA 29 Cb 0.03 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1y1l s ALA 29 CO 0.07 -0.33 0.23 -1.21 0.00 0.00 0.00 175.76 174.52 1y1l s GLU 30 N -2.53 1.40 0.06 0.00 2.02 -0.87 -4.96 118.70 113.83 1y1l s GLU 30 Ca -0.05 -1.66 -0.02 0.00 0.02 0.00 0.00 54.97 53.26 1y1l s GLU 30 Cb -0.01 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 1y1l s GLU 30 CO -0.04 -0.50 0.00 -1.54 0.02 0.00 0.00 175.26 173.20 1y1l s SER 31 N -3.18 0.43 0.20 -0.19 1.04 -1.26 -1.19 113.70 109.54 1y1l s SER 31 Ca 0.36 -0.99 -0.21 0.00 0.48 0.00 0.00 55.95 55.60 1y1l s SER 31 Cb 0.05 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.44 1y1l s SER 31 CO 0.15 -0.63 0.61 0.00 0.98 0.00 0.00 173.24 174.35 1y1l s ALA 32 N -3.93 -1.35 0.17 5.32 0.00 -0.80 -4.72 121.76 116.46 1y1l s ALA 32 Ca 0.09 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.22 1y1l s ALA 32 Cb 0.08 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 1y1l s ALA 32 CO -0.09 -0.84 -0.08 0.20 0.00 0.00 0.00 175.76 174.96 1y1l s GLY 33 N -2.82 1.19 0.17 0.00 0.00 -0.63 -2.26 107.32 102.98 1y1l s GLY 33 Ca 0.05 -1.56 0.05 0.00 0.00 0.00 0.00 44.72 43.26 1y1l s GLY 33 CO -0.06 -1.61 1.38 -2.08 0.00 0.00 0.00 173.10 170.73 1y1l h VAL 34 N 2.70 1.54 -3.92 1.40 2.07 0.12 1.31 116.25 121.47 1y1l h VAL 34 Ca -0.37 -2.75 -0.32 0.00 0.82 0.00 0.00 66.70 64.07 1y1l h VAL 34 Cb 1.20 2.52 -0.21 0.00 -1.52 0.00 0.00 31.29 33.29 1y1l h VAL 34 CO 0.64 0.80 -0.75 -0.70 0.02 0.00 0.00 177.57 177.57 1y1l s GLU 35 N -3.13 0.67 0.54 1.57 2.12 -0.83 -4.81 118.70 114.84 1y1l s GLU 35 Ca -0.02 -0.89 -0.21 0.00 0.36 0.00 0.00 54.97 54.21 1y1l s GLU 35 Cb 0.10 -0.50 -0.06 0.00 0.26 0.00 0.00 34.13 33.94 1y1l s GLU 35 CO 0.82 0.10 1.24 0.36 -0.54 0.00 0.00 175.26 177.23 1y1l n LYS 36 N 1.24 1.49 -3.72 4.30 -0.00 -1.26 -4.39 118.16 115.82 1y1l n LYS 36 Ca -0.21 0.55 -0.12 0.00 -0.00 0.00 0.00 58.31 58.53 1y1l n LYS 36 Cb 0.55 -2.43 -0.10 0.00 -0.00 0.00 0.00 35.03 33.05 1y1l n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1y1l s ALA 37 N -1.33 -1.03 -0.08 0.58 0.00 -1.26 -4.98 121.76 113.66 1y1l s ALA 37 Ca 0.71 1.31 -0.26 0.00 0.00 0.00 0.00 51.96 53.72 1y1l s ALA 37 Cb -0.43 -0.77 -0.24 0.00 0.00 0.00 0.00 23.12 21.67 1y1l s ALA 37 CO 0.50 -0.22 0.96 0.93 0.00 0.00 0.00 175.76 177.92 1y1l h GLU 38 N 6.12 0.09 -6.62 0.00 4.39 -1.93 -3.40 114.58 113.22 1y1l h GLU 38 Ca -0.31 -0.10 -0.64 0.00 0.34 0.00 0.00 59.36 58.65 1y1l h GLU 38 Cb 1.18 0.03 -0.22 0.00 -0.10 0.00 0.00 28.75 29.64 1y1l h GLU 38 CO 0.27 0.90 -0.85 -0.98 -1.16 0.00 0.00 179.01 177.18 1y1l s ARG 39 N -2.92 1.29 0.23 2.33 1.04 -1.26 -4.60 118.95 115.06 1y1l s ARG 39 Ca -0.17 -1.28 -0.26 0.00 -1.04 0.00 0.00 55.73 52.98 1y1l s ARG 39 Cb -0.00 -1.70 -0.09 0.00 -2.04 0.00 0.00 34.95 31.12 1y1l s ARG 39 CO 0.72 0.40 0.86 0.08 -0.04 0.00 0.00 175.30 177.32 1y1l s VAL 40 N -1.10 4.26 0.19 4.99 1.01 -1.26 -4.81 120.40 123.69 1y1l s VAL 40 Ca 0.11 1.81 -0.32 0.00 0.00 0.00 0.00 61.98 63.58 1y1l s VAL 40 Cb -0.10 -4.14 -0.15 0.00 0.00 0.00 0.00 36.38 31.99 1y1l s VAL 40 CO 0.05 0.39 1.16 -0.67 0.00 0.00 0.00 175.10 176.03 1y1l n ASP 41 N 1.20 1.45 0.09 3.32 -0.08 -0.56 -4.89 116.55 117.08 1y1l n ASP 41 Ca -0.02 1.15 -0.07 0.00 -1.51 0.00 0.00 54.79 54.34 1y1l n ASP 41 Cb 0.49 -1.24 0.05 0.00 2.34 0.00 0.00 41.12 42.75 1y1l n ASP 41 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1y1l h GLU 42 N 3.26 0.18 -0.54 -0.67 4.39 -1.93 -2.47 114.58 116.80 1y1l h GLU 42 Ca -0.43 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.02 1y1l h GLU 42 Cb 1.34 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1y1l h GLU 42 CO 0.69 0.86 -0.02 1.15 -1.16 0.00 0.00 179.01 180.53 1y1l h THR 43 N 0.12 1.26 0.33 1.13 2.02 -1.98 -1.97 112.91 113.81 1y1l h THR 43 Ca -0.03 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1y1l h THR 43 Cb 1.34 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1y1l h THR 43 CO 0.11 0.40 -0.16 0.58 0.37 0.00 0.00 175.52 176.82 1y1l h VAL 44 N 0.86 0.63 -0.02 3.16 2.07 -1.91 0.53 116.25 121.57 1y1l h VAL 44 Ca 0.16 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1y1l h VAL 44 Cb 0.53 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1y1l h VAL 44 CO 0.03 0.11 0.02 0.07 0.02 0.00 0.00 177.57 177.82 1y1l h LYS 45 N -0.81 0.00 0.05 1.57 2.10 -1.45 0.42 116.57 118.45 1y1l h LYS 45 Ca -0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1y1l h LYS 45 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1y1l h LYS 45 CO 0.07 0.00 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.41 1y1l h ARG 46 N 0.00 -0.07 -0.68 0.07 2.43 -1.29 -1.39 114.38 113.45 1y1l h ARG 46 Ca 0.01 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1y1l h ARG 46 Cb 0.05 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1y1l h ARG 46 CO -0.00 0.50 0.45 -0.07 -1.51 0.00 0.00 179.97 179.34 1y1l h LEU 47 N -0.71 0.75 0.09 3.80 4.07 0.32 0.13 115.31 123.76 1y1l h LEU 47 Ca -0.01 -0.01 -0.29 0.00 0.08 0.00 0.00 57.88 57.65 1y1l h LEU 47 Cb 0.60 -0.18 0.03 0.00 1.08 0.00 0.00 40.66 42.19 1y1l h LEU 47 CO 0.01 0.53 -1.20 -0.07 -1.08 0.00 0.00 178.44 176.64 1y1l h LEU 48 N 0.88 0.90 -1.85 1.67 3.38 -0.29 -3.20 115.31 116.81 1y1l h LEU 48 Ca 0.26 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1y1l h LEU 48 Cb -0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1y1l h LEU 48 CO -0.06 1.60 -0.13 0.00 0.09 0.00 0.00 178.44 179.93 1y1l h ALA 49 N 0.32 1.32 0.00 1.53 0.00 -0.35 0.68 119.26 122.76 1y1l h ALA 49 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1y1l h ALA 49 Cb 1.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1y1l h ALA 49 CO 0.23 0.17 0.00 1.49 0.00 0.00 0.00 179.25 181.14 1y1l h GLU 50 N 0.00 0.00 -0.36 0.00 4.81 -0.98 -2.48 114.58 115.58 1y1l h GLU 50 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1y1l h GLU 50 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1y1l h GLU 50 CO 0.02 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.17 1y1l n ARG 51 N -2.89 2.91 -2.67 1.92 0.63 0.46 -4.96 116.66 112.06 1y1l n ARG 51 Ca 0.02 -2.23 -0.10 0.00 -0.92 0.00 0.00 57.85 54.63 1y1l n ARG 51 Cb 0.37 -1.39 0.02 0.00 0.45 0.00 0.00 32.46 31.90 1y1l n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y1l n GLY 52 N 0.40 0.21 3.13 5.14 0.00 -0.43 -5.05 105.19 108.60 1y1l n GLY 52 Ca 0.14 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1y1l n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1l s LEU 53 N -3.22 1.94 -0.24 0.99 1.43 0.21 -4.94 118.68 114.86 1y1l s LEU 53 Ca 0.16 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1y1l s LEU 53 Cb -0.07 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 1y1l s LEU 53 CO 0.19 0.16 0.17 -0.54 0.23 0.00 0.00 176.35 176.57 1y1l s LYS 54 N -0.09 4.07 1.08 1.70 3.01 -1.26 -1.70 119.74 126.55 1y1l s LYS 54 Ca -0.00 -0.25 -0.16 0.00 -1.01 0.00 0.00 55.97 54.54 1y1l s LYS 54 Cb -0.10 -3.54 0.23 0.00 -1.01 0.00 0.00 37.83 33.42 1y1l s LYS 54 CO 0.01 0.05 1.15 0.00 0.51 0.00 0.00 175.35 177.07 1y1l s ALA 55 N 1.08 1.12 0.49 5.17 0.00 -1.26 -4.92 121.76 123.44 1y1l s ALA 55 Ca 0.08 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 1y1l s ALA 55 Cb -0.14 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 1y1l s ALA 55 CO 0.05 -3.06 1.28 0.21 0.00 0.00 0.00 175.76 174.23 1y1l s LYS 56 N -5.40 3.49 0.14 0.00 2.20 -1.26 -4.93 119.74 113.98 1y1l s LYS 56 Ca 0.69 2.05 -0.18 0.00 -0.36 0.00 0.00 55.97 58.17 1y1l s LYS 56 Cb -0.11 -2.38 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 1y1l s LYS 56 CO 0.55 -0.85 1.79 0.93 -0.36 0.00 0.00 175.35 177.42 1y1l h GLU 57 N 1.85 0.37 -2.80 4.03 3.07 -2.03 -3.45 114.58 115.62 1y1l h GLU 57 Ca -0.50 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.21 1y1l h GLU 57 Cb 1.27 -0.08 -0.24 0.00 -0.84 0.00 0.00 28.75 28.86 1y1l h GLU 57 CO 0.59 0.24 -0.27 -1.59 -1.40 0.00 0.00 179.01 176.59 1y1l s LYS 58 N -6.17 0.45 0.21 2.33 -2.85 -1.26 -4.69 119.74 107.77 1y1l s LYS 58 Ca -0.13 0.54 -0.32 0.00 -1.00 0.00 0.00 55.97 55.06 1y1l s LYS 58 Cb 0.09 0.22 -0.13 0.00 -2.06 0.00 0.00 37.83 35.95 1y1l s LYS 58 CO 0.70 -0.05 1.49 -2.30 0.10 0.00 0.00 175.35 175.29 1y1l n PRO 59 N 2.89 2.14 -4.03 1.78 -0.02 -1.26 -4.99 135.00 131.51 1y1l n PRO 59 Ca -0.13 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 1y1l n PRO 59 Cb 0.57 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.43 1y1l n PRO 59 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1y1l s ARG 60 N 0.10 3.12 0.59 -0.52 1.70 -1.26 -4.84 118.95 117.84 1y1l s ARG 60 Ca 0.72 -0.77 -0.19 0.00 -0.47 0.00 0.00 55.73 55.02 1y1l s ARG 60 Cb -0.65 -2.77 -0.03 0.00 -0.57 0.00 0.00 34.95 30.93 1y1l s ARG 60 CO 0.45 -0.22 1.26 0.99 -1.08 0.00 0.00 175.30 176.70 1y1l s THR 61 N 1.36 2.38 -1.13 4.99 2.01 -1.26 -1.60 115.64 122.40 1y1l s THR 61 Ca 0.05 0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.39 1y1l s THR 61 Cb -0.14 -3.11 0.10 0.00 0.01 0.00 0.00 72.50 69.37 1y1l s THR 61 CO -0.09 -0.04 1.27 0.55 -0.69 0.00 0.00 174.62 175.62 1y1l n VAL 62 N -1.49 1.18 0.08 3.82 3.14 0.45 -2.11 118.33 123.40 1y1l n VAL 62 Ca 0.13 0.30 -0.14 0.00 -2.96 0.00 0.00 64.34 61.67 1y1l n VAL 62 Cb 0.48 -1.14 -0.07 0.00 -1.06 0.00 0.00 33.84 32.06 1y1l n VAL 62 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1y1l h ASP 63 N 0.00 0.51 -0.02 6.55 -0.00 -1.90 -3.05 116.42 118.51 1y1l h ASP 63 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.03 56.59 1y1l h ASP 63 Cb 0.14 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 39.31 1y1l h ASP 63 CO 0.00 1.26 0.00 -0.62 -0.00 0.00 0.00 179.24 179.88 1y1l n GLU 64 N -3.69 1.06 -3.97 0.28 1.02 -0.89 -4.77 120.64 109.67 1y1l n GLU 64 Ca -0.07 -0.07 -0.20 0.00 -0.02 0.00 0.00 57.16 56.80 1y1l n GLU 64 Cb 0.88 -1.23 -0.17 0.00 -0.02 0.00 0.00 31.44 30.90 1y1l n GLU 64 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1y1l s VAL 65 N -1.57 0.36 -0.69 2.62 1.01 -1.15 -5.03 120.40 115.95 1y1l s VAL 65 Ca 0.01 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1y1l s VAL 65 Cb 0.01 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.99 1y1l s VAL 65 CO 0.01 0.21 1.08 0.20 0.00 0.00 0.00 175.10 176.60 1y1l s ASN 66 N 1.28 6.17 0.31 3.32 -0.87 -1.26 -4.92 114.94 118.96 1y1l s ASN 66 Ca -0.06 -0.80 0.07 0.00 -1.57 0.00 0.00 52.86 50.49 1y1l s ASN 66 Cb -0.13 -2.47 0.85 0.00 -0.02 0.00 0.00 41.25 39.48 1y1l s ASN 66 CO -0.02 -1.59 1.65 -0.07 -2.57 0.00 0.00 177.10 174.50 1y1l h LEU 67 N 11.97 0.16 -1.74 0.60 3.38 -1.96 -2.53 115.31 125.18 1y1l h LEU 67 Ca -0.28 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1y1l h LEU 67 Cb 1.06 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1y1l h LEU 67 CO 1.22 -0.16 0.36 0.44 0.09 0.00 0.00 178.44 180.39 1y1l h ASP 68 N 0.24 0.00 -0.13 -0.43 3.45 -1.95 -1.12 116.42 116.48 1y1l h ASP 68 Ca 0.62 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 58.06 1y1l h ASP 68 Cb 1.33 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 1y1l h ASP 68 CO -0.65 0.00 0.03 0.44 -1.57 0.00 0.00 179.24 177.49 1y1l h ASP 69 N 0.00 0.27 -3.83 6.45 3.32 -1.88 -3.44 116.42 117.31 1y1l h ASP 69 Ca 0.00 -0.03 -0.48 0.00 0.02 0.00 0.00 57.03 56.55 1y1l h ASP 69 Cb 0.72 -0.07 0.06 0.00 0.22 0.00 0.00 39.33 40.27 1y1l h ASP 69 CO 0.00 0.29 0.23 -0.36 -1.72 0.00 0.00 179.24 177.68 1y1l s PHE 70 N -5.06 3.22 -0.01 4.55 0.40 -0.43 -4.83 117.98 115.83 1y1l s PHE 70 Ca -0.06 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1y1l s PHE 70 Cb 0.16 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.83 1y1l s PHE 70 CO 0.72 -0.97 0.57 -0.25 0.70 0.00 0.00 175.22 175.99 1y1l n ASP 71 N -2.71 1.14 -3.15 1.36 9.92 -0.58 -4.94 116.55 117.59 1y1l n ASP 71 Ca 0.05 -1.14 0.05 0.00 -0.53 0.00 0.00 54.79 53.23 1y1l n ASP 71 Cb 0.58 -0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.05 1y1l n ASP 71 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1y1l s LEU 72 N -0.14 -0.77 -0.43 0.64 1.98 -1.25 -4.69 118.68 114.02 1y1l s LEU 72 Ca 0.00 0.25 -0.14 0.00 -2.89 0.00 0.00 54.13 51.36 1y1l s LEU 72 Cb 0.00 1.55 0.05 0.00 0.66 0.00 0.00 46.19 48.46 1y1l s LEU 72 CO 0.00 -0.14 0.32 -0.51 -1.89 0.00 0.00 176.35 174.13 1y1l s ILE 73 N 2.92 4.98 -0.08 6.68 -1.16 -0.40 -1.69 121.20 132.45 1y1l s ILE 73 Ca 0.14 -0.99 -0.24 0.00 -0.51 0.00 0.00 60.65 59.06 1y1l s ILE 73 Cb -0.08 -3.91 -0.03 0.00 0.61 0.00 0.00 42.46 39.05 1y1l s ILE 73 CO -0.19 -0.45 0.71 0.54 -2.81 0.00 0.00 174.94 172.74 1y1l s VAL 74 N 1.60 5.03 -0.29 4.00 0.11 -0.08 -2.30 120.40 128.47 1y1l s VAL 74 Ca 0.04 1.46 -0.08 0.00 -2.93 0.00 0.00 61.98 60.47 1y1l s VAL 74 Cb -0.22 -4.05 -0.01 0.00 -1.53 0.00 0.00 36.38 30.57 1y1l s VAL 74 CO 0.07 0.22 0.11 -0.89 -3.33 0.00 0.00 175.10 171.28 1y1l s THR 75 N 0.98 4.35 -0.78 5.04 2.01 0.38 -2.16 115.64 125.46 1y1l s THR 75 Ca 0.37 -0.40 -0.23 0.00 0.31 0.00 0.00 61.69 61.74 1y1l s THR 75 Cb -0.18 -3.16 0.06 0.00 0.01 0.00 0.00 72.50 69.23 1y1l s THR 75 CO 0.17 0.16 1.15 -0.69 -0.69 0.00 0.00 174.62 174.73 1y1l s VAL 76 N 1.59 4.15 0.58 3.82 1.01 -0.37 -0.44 120.40 130.73 1y1l s VAL 76 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1y1l s VAL 76 Cb -0.16 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.39 1y1l s VAL 76 CO 0.04 -1.66 0.89 0.00 0.00 0.00 0.00 175.10 174.38 1y1l n GLU 78 N -2.55 0.30 0.19 0.00 -0.58 -1.26 -2.27 120.64 114.48 1y1l n GLU 78 Ca 0.04 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.84 1y1l n GLU 78 Cb 0.57 0.00 0.56 0.00 -0.57 0.00 0.00 31.44 32.00 1y1l n GLU 78 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1y1l h GLU 79 N 0.00 0.12 0.00 3.49 4.81 -1.96 -3.36 114.58 117.67 1y1l h GLU 79 Ca 0.00 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1y1l h GLU 79 Cb 0.00 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.21 1y1l h GLU 79 CO 0.00 0.13 -0.33 -1.13 -0.73 0.00 0.00 179.01 176.94 1y1l n SER 80 N -4.47 -1.88 -2.73 1.04 3.41 -1.26 -5.04 113.62 102.69 1y1l n SER 80 Ca -0.02 -2.43 -0.07 0.00 -0.26 0.00 0.00 58.87 56.09 1y1l n SER 80 Cb 0.12 1.01 0.06 0.00 -0.26 0.00 0.00 64.21 65.15 1y1l n SER 80 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y1l n SER 81 N -0.61 -2.46 -4.65 4.04 3.41 -1.26 -5.11 113.62 106.98 1y1l n SER 81 Ca -0.04 -2.89 -0.43 0.00 -0.26 0.00 0.00 58.87 55.25 1y1l n SER 81 Cb 0.84 1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 66.30 1y1l n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y1l s VAL 83 N 3.70 3.71 -0.04 0.00 0.11 -1.26 -5.05 120.40 121.57 1y1l s VAL 83 Ca 0.50 1.60 -0.04 0.00 -2.93 0.00 0.00 61.98 61.12 1y1l s VAL 83 Cb -0.16 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.62 1y1l s VAL 83 CO 0.15 0.33 0.16 0.54 -3.33 0.00 0.00 175.10 172.95 1y1l s VAL 84 N -0.73 5.38 0.19 2.04 0.11 -1.26 -5.01 120.40 121.12 1y1l s VAL 84 Ca 0.46 -0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.52 1y1l s VAL 84 Cb -0.30 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1y1l s VAL 84 CO 0.37 0.42 0.05 -0.76 -3.33 0.00 0.00 175.10 171.86 1y1l s LEU 85 N -1.63 3.47 -0.87 2.54 1.02 -1.26 -5.03 118.68 116.92 1y1l s LEU 85 Ca 0.23 -0.35 -0.17 0.00 0.02 0.00 0.00 54.13 53.85 1y1l s LEU 85 Cb -0.12 -2.08 -0.12 0.00 0.02 0.00 0.00 46.19 43.90 1y1l s LEU 85 CO 0.14 0.06 2.01 -0.81 0.02 0.00 0.00 176.35 177.76 1y1l n PRO 86 N -0.41 1.78 -3.67 1.29 -0.04 -1.26 -4.84 135.00 127.85 1y1l n PRO 86 Ca -0.09 -1.82 -0.08 0.00 -0.04 0.00 0.00 63.50 61.47 1y1l n PRO 86 Cb 0.56 -2.84 -0.09 0.00 -0.04 0.00 0.00 33.50 31.10 1y1l n PRO 86 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1y1l s THR 87 N 4.43 -0.23 -2.00 0.52 -1.32 -1.26 -4.97 115.64 110.81 1y1l s THR 87 Ca 0.52 0.07 0.01 0.00 -1.21 0.00 0.00 61.69 61.08 1y1l s THR 87 Cb 0.13 -0.78 0.03 0.00 -1.51 0.00 0.00 72.50 70.37 1y1l s THR 87 CO 0.06 0.03 0.84 0.47 -2.21 0.00 0.00 174.62 173.81 1y1l n ASP 88 N 4.61 0.00 -4.56 8.08 9.92 -1.26 -4.84 116.55 128.50 1y1l n ASP 88 Ca -0.18 -1.57 -0.29 0.00 -0.53 0.00 0.00 54.79 52.21 1y1l n ASP 88 Cb 0.55 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 41.18 1y1l n ASP 88 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1y1l s LYS 89 N -2.00 0.87 -0.00 -1.24 -0.14 -1.26 -5.02 119.74 110.95 1y1l s LYS 89 Ca 0.01 0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.42 1y1l s LYS 89 Cb 0.01 -1.83 -0.03 0.00 -1.68 0.00 0.00 37.83 34.30 1y1l s LYS 89 CO 0.01 -2.34 1.02 -1.25 -0.76 0.00 0.00 175.35 172.03 1y1l s PRO 90 N -5.45 4.52 -0.09 -1.68 0.04 -1.26 -5.00 135.00 126.09 1y1l s PRO 90 Ca 0.66 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 1y1l s PRO 90 Cb -0.12 -3.45 0.03 0.00 0.04 0.00 0.00 34.50 31.01 1y1l s PRO 90 CO 0.53 -0.11 0.23 0.54 0.04 0.00 0.00 177.00 178.22 1y1l s VAL 91 N 1.13 -0.02 0.53 -0.36 0.11 -1.26 -1.28 120.40 119.25 1y1l s VAL 91 Ca 0.53 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.72 1y1l s VAL 91 Cb -0.22 -0.34 0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1y1l s VAL 91 CO 0.27 0.03 0.46 -0.89 -3.33 0.00 0.00 175.10 171.65 1y1l s THR 92 N 0.71 1.89 -0.04 5.04 2.01 -0.97 -4.96 115.64 119.32 1y1l s THR 92 Ca -0.05 -1.39 -0.00 0.00 0.31 0.00 0.00 61.69 60.56 1y1l s THR 92 Cb -0.06 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.19 1y1l s THR 92 CO -0.04 0.00 0.01 -0.13 -0.69 0.00 0.00 174.62 173.77 1y1l s ARG 93 N -4.32 0.30 -0.22 4.92 0.52 -1.26 -0.47 118.95 118.43 1y1l s ARG 93 Ca 0.41 0.13 -0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1y1l s ARG 93 Cb -0.03 -0.58 0.02 0.00 0.52 0.00 0.00 34.95 34.88 1y1l s ARG 93 CO 0.25 -0.20 -0.12 -1.58 0.02 0.00 0.00 175.30 173.67 1y1l s TRP 94 N 1.39 2.95 -0.59 -0.53 0.51 0.42 -4.92 118.94 118.17 1y1l s TRP 94 Ca -0.05 -1.58 -0.25 0.00 -2.12 0.00 0.00 56.10 52.10 1y1l s TRP 94 Cb -0.13 -1.99 0.04 0.00 -0.81 0.00 0.00 33.47 30.58 1y1l s TRP 94 CO -0.03 -0.75 1.01 -1.01 -0.51 0.00 0.00 176.95 175.66 1y1l s HIS 95 N 1.31 2.70 -0.08 -1.98 3.76 -1.26 -0.41 115.29 119.33 1y1l s HIS 95 Ca 0.02 -0.07 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 1y1l s HIS 95 Cb -0.15 -4.22 0.00 0.00 1.11 0.00 0.00 32.58 29.32 1y1l s HIS 95 CO -0.08 -1.51 -0.19 0.42 -0.85 0.00 0.00 174.74 172.53 1y1l s ILE 96 N 4.27 1.65 0.14 0.60 1.01 -0.96 -4.99 121.20 122.92 1y1l s ILE 96 Ca 0.31 -0.79 -0.35 0.00 0.00 0.00 0.00 60.65 59.82 1y1l s ILE 96 Cb -0.12 -1.45 -0.15 0.00 0.01 0.00 0.00 42.46 40.75 1y1l s ILE 96 CO 0.18 0.47 1.45 1.21 0.00 0.00 0.00 174.94 178.24 1y1l n GLU 97 N 3.54 1.71 -2.48 2.79 2.13 -1.26 -4.72 120.64 122.36 1y1l n GLU 97 Ca -0.20 0.62 -0.43 0.00 0.66 0.00 0.00 57.16 57.81 1y1l n GLU 97 Cb 0.52 -2.31 -0.02 0.00 0.27 0.00 0.00 31.44 29.90 1y1l n GLU 97 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1y1l s ASN 98 N 0.63 6.45 0.54 4.31 3.84 -1.26 -4.90 114.94 124.55 1y1l s ASN 98 Ca 0.79 0.57 0.33 0.00 0.21 0.00 0.00 52.86 54.76 1y1l s ASN 98 Cb -0.79 -2.55 1.32 0.00 -0.55 0.00 0.00 41.25 38.69 1y1l s ASN 98 CO 0.43 -1.39 1.97 1.55 -2.79 0.00 0.00 177.10 176.87 1y1l h PRO 99 N 10.03 0.00 -6.03 0.43 0.13 -1.91 -3.45 132.00 131.20 1y1l h PRO 99 Ca -0.25 0.00 -0.84 0.00 -0.87 0.00 0.00 66.00 64.04 1y1l h PRO 99 Cb 1.08 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.23 1y1l h PRO 99 CO 1.12 0.03 0.61 0.00 -0.23 0.00 0.00 178.00 179.53 1y1l n ALA 100 N -2.11 -1.55 0.00 -0.56 0.00 -1.26 -1.77 120.51 113.26 1y1l n ALA 100 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1y1l n ALA 100 Cb 0.32 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1y1l n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y1l n GLY 101 N 3.57 1.90 0.49 0.00 0.00 -1.26 -4.73 105.19 105.17 1y1l n GLY 101 Ca 0.28 -0.22 0.32 0.00 0.00 0.00 0.00 46.02 46.40 1y1l n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y1l h LYS 102 N 0.00 0.14 0.00 1.61 1.79 -1.66 -3.44 116.57 115.01 1y1l h LYS 102 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1y1l h LYS 102 Cb 0.00 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1y1l h LYS 102 CO 0.00 0.09 0.00 -3.47 -1.08 0.00 0.00 179.45 174.99 1y1l n ASP 103 N -4.38 0.00 0.00 0.86 -0.08 -1.16 -4.80 116.55 106.99 1y1l n ASP 103 Ca 0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1y1l n ASP 103 Cb 1.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.62 1y1l n ASP 103 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1y1l n GLU 104 N 14.00 0.00 0.04 -0.67 0.28 -1.26 -2.47 120.64 130.56 1y1l n GLU 104 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1y1l n GLU 104 Cb 0.00 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.04 1y1l n GLU 104 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1y1l n GLY 105 N 0.00 -1.35 0.37 -1.84 0.00 -1.26 -4.18 105.19 96.92 1y1l n GLY 105 Ca 0.00 -0.29 0.16 0.00 0.00 0.00 0.00 46.02 45.89 1y1l n GLY 105 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1y1l h THR 106 N 0.00 0.65 -0.17 2.61 2.02 -1.80 -0.61 112.91 115.62 1y1l h THR 106 Ca 0.00 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1y1l h THR 106 Cb 0.69 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1y1l h THR 106 CO 0.00 0.11 0.03 1.88 0.37 0.00 0.00 175.52 177.92 1y1l h TYR 107 N 0.62 0.06 -0.94 3.16 -1.99 -1.69 0.36 116.97 116.55 1y1l h TYR 107 Ca 0.57 0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.32 1y1l h TYR 107 Cb 1.08 -0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.76 1y1l h TYR 107 CO -0.00 0.02 0.62 0.00 -0.00 0.00 0.00 178.16 178.80 1y1l h ARG 108 N 0.10 1.22 -0.57 4.88 3.08 -1.40 0.25 114.38 121.95 1y1l h ARG 108 Ca 0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1y1l h ARG 108 Cb 0.06 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1y1l h ARG 108 CO -0.10 0.81 0.33 -0.09 -1.07 0.00 0.00 179.97 179.86 1y1l h ARG 109 N 1.26 0.78 -0.75 0.04 1.12 -0.87 0.12 114.38 116.08 1y1l h ARG 109 Ca 0.35 -0.08 -0.04 0.00 -1.11 0.00 0.00 59.98 59.10 1y1l h ARG 109 Cb -0.12 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 29.65 1y1l h ARG 109 CO -0.08 0.58 0.32 0.28 -3.11 0.00 0.00 179.97 177.95 1y1l h VAL 110 N 0.77 1.25 -0.38 0.20 2.07 -0.17 -2.34 116.25 117.66 1y1l h VAL 110 Ca 0.20 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1y1l h VAL 110 Cb 0.01 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1y1l h VAL 110 CO -0.04 0.31 0.21 0.25 0.02 0.00 0.00 177.57 178.32 1y1l h LEU 111 N 1.07 0.32 -0.27 2.57 5.85 0.41 -1.97 115.31 123.29 1y1l h LEU 111 Ca 0.25 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1y1l h LEU 111 Cb 0.19 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1y1l h LEU 111 CO -0.02 0.23 0.11 0.00 -0.34 0.00 0.00 178.44 178.42 1y1l h ALA 112 N 1.18 0.32 -0.40 1.25 0.00 -0.47 -0.97 119.26 120.17 1y1l h ALA 112 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1y1l h ALA 112 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1y1l h ALA 112 CO -0.09 -0.29 0.25 0.93 0.00 0.00 0.00 179.25 180.05 1y1l h GLU 113 N 0.24 0.49 -0.73 0.00 5.08 -1.22 0.16 114.58 118.62 1y1l h GLU 113 Ca 0.12 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1y1l h GLU 113 Cb 0.07 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1y1l h GLU 113 CO -0.11 0.33 0.48 0.82 -1.00 0.00 0.00 179.01 179.53 1y1l h ILE 114 N 0.51 1.03 -0.28 3.13 2.04 -1.11 -0.37 117.51 122.46 1y1l h ILE 114 Ca 0.15 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 1y1l h ILE 114 Cb -0.03 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1y1l h ILE 114 CO -0.05 0.14 -0.29 -0.08 0.00 0.00 0.00 178.15 177.87 1y1l h GLU 115 N 0.77 0.70 -0.57 2.37 4.81 -0.13 0.33 114.58 122.87 1y1l h GLU 115 Ca 0.31 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1y1l h GLU 115 Cb 0.24 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1y1l h GLU 115 CO -0.10 0.98 0.17 1.49 -0.73 0.00 0.00 179.01 180.82 1y1l h GLU 116 N 0.44 0.85 0.18 1.92 4.81 -0.20 -0.72 114.58 121.86 1y1l h GLU 116 Ca 0.04 -0.16 -0.31 0.00 -0.13 0.00 0.00 59.36 58.80 1y1l h GLU 116 Cb 0.86 -0.14 0.03 0.00 0.63 0.00 0.00 28.75 30.13 1y1l h GLU 116 CO 0.07 0.74 -1.34 0.00 -0.73 0.00 0.00 179.01 177.75 1y1l h ARG 117 N 0.83 0.58 -0.28 1.92 3.08 -0.94 -2.87 114.38 116.70 1y1l h ARG 117 Ca 0.19 -0.86 -0.05 0.00 0.07 0.00 0.00 59.98 59.33 1y1l h ARG 117 Cb 0.25 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1y1l h ARG 117 CO -0.01 1.40 -0.02 0.28 -1.07 0.00 0.00 179.97 180.55 1y1l h VAL 118 N 0.22 1.27 -0.27 2.04 2.07 -0.27 0.74 116.25 122.04 1y1l h VAL 118 Ca -0.21 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.38 1y1l h VAL 118 Cb 2.02 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 33.08 1y1l h VAL 118 CO 0.25 0.31 -0.16 0.50 0.02 0.00 0.00 177.57 178.49 1y1l h LYS 119 N 0.28 -0.13 -0.13 1.57 3.64 -1.23 0.34 116.57 120.91 1y1l h LYS 119 Ca 0.08 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1y1l h LYS 119 Cb 0.47 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1y1l h LYS 119 CO 0.02 -0.09 0.07 -0.22 -2.27 0.00 0.00 179.45 176.96 1y1l h LYS 120 N -0.14 0.18 -0.51 1.90 3.64 -1.43 -2.90 116.57 117.31 1y1l h LYS 120 Ca 0.15 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1y1l h LYS 120 Cb 0.36 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1y1l h LYS 120 CO -0.36 0.22 0.34 1.25 -2.27 0.00 0.00 179.45 178.63 1y1l h LEU 121 N 0.10 0.53 -0.25 5.20 5.85 -0.14 -1.59 115.31 125.01 1y1l h LEU 121 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1y1l h LEU 121 Cb 0.09 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1y1l h LEU 121 CO -0.01 0.37 0.00 0.52 -0.34 0.00 0.00 178.44 178.98 1y1l n VAL 122 N -4.47 0.00 0.20 1.05 0.31 0.11 -2.61 118.33 112.93 1y1l n VAL 122 Ca 0.05 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.45 1y1l n VAL 122 Cb 0.11 -0.25 0.41 0.00 -0.91 0.00 0.00 33.84 33.20 1y1l n VAL 122 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1y1l h GLY 123 N 3.04 0.00 0.00 2.92 0.00 -1.40 -3.49 103.07 104.15 1y1l h GLY 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y1l h GLY 123 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.33