#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5d s SER 2 N 0.00 6.34 -0.76 1.61 0.01 -1.26 -4.93 113.70 114.71 1x5d s SER 2 Ca 0.00 -0.13 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 1x5d s SER 2 Cb 0.00 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.55 1x5d s SER 2 CO 0.00 -1.57 2.41 -1.54 0.41 0.00 0.00 173.24 172.95 1x5d n SER 3 N 8.63 1.74 0.00 2.44 3.41 -1.26 -4.68 113.62 123.90 1x5d n SER 3 Ca 0.06 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1x5d n SER 3 Cb 0.49 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 1x5d n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5d n GLY 4 N 6.65 -0.07 2.46 5.00 0.00 -1.26 -4.28 105.19 113.69 1x5d n GLY 4 Ca 0.47 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1x5d n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5d n SER 5 N -0.27 3.17 -3.54 1.61 7.64 -1.26 -5.07 113.62 115.90 1x5d n SER 5 Ca 0.00 -2.90 -0.13 0.00 1.01 0.00 0.00 58.87 56.85 1x5d n SER 5 Cb 0.00 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.73 1x5d n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5d s SER 6 N -3.66 0.59 0.00 6.43 0.01 -1.26 -5.16 113.70 110.66 1x5d s SER 6 Ca 0.38 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1x5d s SER 6 Cb 0.37 0.61 0.00 0.00 0.21 0.00 0.00 66.02 67.21 1x5d s SER 6 CO -0.01 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1x5d n GLY 7 N -0.49 -1.84 1.27 3.44 0.00 -1.26 -4.75 105.19 101.56 1x5d n GLY 7 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 1x5d n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5d n ASP 8 N 0.00 3.06 -4.69 1.61 9.92 -1.26 -4.89 116.55 120.30 1x5d n ASP 8 Ca 0.00 -2.42 -0.42 0.00 -0.53 0.00 0.00 54.79 51.41 1x5d n ASP 8 Cb 0.00 -0.59 -0.03 0.00 -0.64 0.00 0.00 41.12 39.87 1x5d n ASP 8 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5d s VAL 9 N -1.03 4.67 -0.01 2.53 1.01 -1.26 -4.73 120.40 121.57 1x5d s VAL 9 Ca 0.16 1.94 -0.08 0.00 0.00 0.00 0.00 61.98 64.00 1x5d s VAL 9 Cb 0.13 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1x5d s VAL 9 CO 0.03 0.02 0.28 -0.63 0.00 0.00 0.00 175.10 174.80 1x5d s ILE 10 N 1.95 5.28 -0.14 2.22 1.01 -0.82 -4.94 121.20 125.77 1x5d s ILE 10 Ca 0.50 0.29 -0.07 0.00 0.00 0.00 0.00 60.65 61.38 1x5d s ILE 10 Cb -0.20 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1x5d s ILE 10 CO 0.20 0.43 0.10 -0.70 0.00 0.00 0.00 174.94 174.97 1x5d s GLU 11 N -1.56 3.56 0.44 2.79 2.56 -1.26 -0.50 118.70 124.74 1x5d s GLU 11 Ca 0.25 -0.23 0.04 0.00 0.00 0.00 0.00 54.97 55.03 1x5d s GLU 11 Cb -0.14 -3.16 -0.05 0.00 2.00 0.00 0.00 34.13 32.79 1x5d s GLU 11 CO 0.14 0.60 0.02 -0.51 -0.56 0.00 0.00 175.26 174.95 1x5d s LEU 12 N -0.55 2.57 0.36 2.70 1.43 -1.14 -4.95 118.68 119.09 1x5d s LEU 12 Ca 0.12 -1.50 0.03 0.00 -1.03 0.00 0.00 54.13 51.75 1x5d s LEU 12 Cb -0.12 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 1x5d s LEU 12 CO 0.02 -0.64 0.08 -0.89 0.23 0.00 0.00 176.35 175.16 1x5d s THR 13 N -2.84 0.94 -0.70 5.49 2.01 -1.26 -4.81 115.64 114.47 1x5d s THR 13 Ca 0.23 -2.00 0.15 0.00 0.31 0.00 0.00 61.69 60.38 1x5d s THR 13 Cb 0.06 -2.60 0.15 0.00 0.01 0.00 0.00 72.50 70.12 1x5d s THR 13 CO 0.12 0.00 1.46 -0.90 -0.69 0.00 0.00 174.62 174.61 1x5d n ASP 14 N -0.92 0.30 -0.02 3.53 5.75 -1.26 -0.27 116.55 123.65 1x5d n ASP 14 Ca -0.04 0.60 -0.04 0.00 -0.01 0.00 0.00 54.79 55.30 1x5d n ASP 14 Cb 0.66 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1x5d n ASP 14 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1x5d n ASP 15 N -1.86 2.29 0.23 -1.12 -0.08 -1.26 -4.67 116.55 110.08 1x5d n ASP 15 Ca 0.01 0.01 0.11 0.00 -1.51 0.00 0.00 54.79 53.41 1x5d n ASP 15 Cb 0.12 -0.09 0.45 0.00 2.34 0.00 0.00 41.12 43.94 1x5d n ASP 15 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1x5d h SER 16 N -0.06 0.00 -0.98 1.67 0.02 -1.94 -3.19 113.55 109.06 1x5d h SER 16 Ca -0.10 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 61.17 1x5d h SER 16 Cb 1.12 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.51 1x5d h SER 16 CO -0.04 0.19 0.50 0.15 -1.14 0.00 0.00 176.83 176.50 1x5d h PHE 17 N 0.00 0.81 0.09 3.45 3.04 -0.91 0.49 116.94 123.92 1x5d h PHE 17 Ca -0.00 0.04 -0.34 0.00 3.98 0.00 0.00 57.97 61.65 1x5d h PHE 17 Cb 0.76 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 1x5d h PHE 17 CO 0.00 -0.21 -1.85 0.38 -2.02 0.00 0.00 178.31 174.61 1x5d h ASP 18 N 0.28 0.30 0.33 0.41 3.04 -1.81 -2.36 116.42 116.60 1x5d h ASP 18 Ca 0.71 -0.63 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1x5d h ASP 18 Cb 1.62 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.81 1x5d h ASP 18 CO -0.63 1.56 0.00 0.11 -2.04 0.00 0.00 179.24 178.23 1x5d h LYS 19 N 0.05 0.00 0.00 4.15 1.79 -0.92 0.24 116.57 121.89 1x5d h LYS 19 Ca -0.36 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.84 1x5d h LYS 19 Cb 2.03 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.63 1x5d h LYS 19 CO 0.10 0.00 -2.01 0.09 -1.08 0.00 0.00 179.45 176.55 1x5d n ASN 20 N -2.78 2.00 -0.03 0.86 3.02 0.15 -4.05 115.26 114.43 1x5d n ASN 20 Ca -0.01 -0.05 -0.01 0.00 -0.03 0.00 0.00 54.58 54.48 1x5d n ASN 20 Cb 0.14 0.30 -0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1x5d n ASN 20 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1x5d h VAL 21 N 0.00 0.00 -0.76 2.41 2.07 -1.15 -3.31 116.25 115.52 1x5d h VAL 21 Ca -0.40 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1x5d h VAL 21 Cb 1.76 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1x5d h VAL 21 CO -0.02 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 178.00 1x5d h LEU 22 N -0.51 0.84 0.00 2.57 3.38 -0.74 0.42 115.31 121.27 1x5d h LEU 22 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x5d h LEU 22 Cb 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1x5d h LEU 22 CO 0.00 0.59 0.00 -0.67 0.09 0.00 0.00 178.44 178.45 1x5d n ASP 23 N -4.43 0.00 -4.13 -0.43 2.03 -0.86 -4.55 116.55 104.18 1x5d n ASP 23 Ca 0.09 0.09 -0.26 0.00 0.52 0.00 0.00 54.79 55.22 1x5d n ASP 23 Cb 0.07 -0.24 -0.16 0.00 -0.72 0.00 0.00 41.12 40.07 1x5d n ASP 23 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1x5d s SER 24 N -2.48 2.19 -0.10 1.67 0.15 0.14 -4.99 113.70 110.28 1x5d s SER 24 Ca 0.09 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.39 1x5d s SER 24 Cb 0.06 -0.67 0.16 0.00 -1.71 0.00 0.00 66.02 63.86 1x5d s SER 24 CO 0.13 0.14 1.14 -0.62 1.20 0.00 0.00 173.24 175.24 1x5d n GLU 25 N 3.23 1.39 -4.42 5.44 1.02 -1.26 -4.82 120.64 121.22 1x5d n GLU 25 Ca -0.19 -0.70 -0.25 0.00 -0.02 0.00 0.00 57.16 56.01 1x5d n GLU 25 Cb 0.53 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 1x5d n GLU 25 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x5d s ASP 26 N 0.37 3.75 0.02 1.62 1.11 -1.26 -4.89 116.67 117.39 1x5d s ASP 26 Ca 0.13 -0.89 -0.30 0.00 0.18 0.00 0.00 52.55 51.66 1x5d s ASP 26 Cb 0.11 -0.41 -0.06 0.00 1.07 0.00 0.00 42.92 43.63 1x5d s ASP 26 CO 0.03 0.06 1.37 -0.69 1.18 0.00 0.00 175.17 177.12 1x5d s VAL 27 N -2.20 3.70 -0.28 -1.27 1.01 -1.25 -4.77 120.40 115.34 1x5d s VAL 27 Ca 0.27 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.38 1x5d s VAL 27 Cb -0.06 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1x5d s VAL 27 CO 0.14 0.02 -0.04 0.26 0.00 0.00 0.00 175.10 175.48 1x5d s TRP 28 N 2.03 3.22 -0.66 5.22 0.52 -1.19 -0.60 118.94 127.48 1x5d s TRP 28 Ca 0.63 -1.93 -0.26 0.00 0.02 0.00 0.00 56.10 54.56 1x5d s TRP 28 Cb -0.32 -2.05 0.04 0.00 -1.15 0.00 0.00 33.47 30.00 1x5d s TRP 28 CO 0.27 -0.81 1.14 -1.64 0.02 0.00 0.00 176.95 175.93 1x5d s MET 29 N 1.23 3.25 -0.22 4.98 -1.94 0.62 -3.38 119.30 123.83 1x5d s MET 29 Ca -0.05 -0.29 -0.18 0.00 -1.71 0.00 0.00 55.69 53.45 1x5d s MET 29 Cb -0.19 -4.14 -0.03 0.00 2.01 0.00 0.00 34.83 32.48 1x5d s MET 29 CO -0.03 -1.88 0.52 0.08 -0.01 0.00 0.00 175.02 173.70 1x5d s VAL 30 N 4.93 5.09 -0.12 -6.03 1.01 -0.50 -0.24 120.40 124.54 1x5d s VAL 30 Ca 0.33 0.93 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1x5d s VAL 30 Cb -0.11 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1x5d s VAL 30 CO 0.16 0.14 -0.22 -0.70 0.00 0.00 0.00 175.10 174.48 1x5d s GLU 31 N 1.91 2.92 -0.26 2.72 -6.30 -0.57 -0.73 118.70 118.40 1x5d s GLU 31 Ca 0.23 -0.83 -0.12 0.00 -2.50 0.00 0.00 54.97 51.75 1x5d s GLU 31 Cb -0.15 -2.29 -0.05 0.00 0.00 0.00 0.00 34.13 31.64 1x5d s GLU 31 CO 0.09 0.08 0.23 -0.06 0.02 0.00 0.00 175.26 175.62 1x5d s PHE 32 N 0.59 3.27 0.30 5.30 0.40 0.08 0.52 117.98 128.44 1x5d s PHE 32 Ca -0.13 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1x5d s PHE 32 Cb -0.17 -2.39 -0.06 0.00 0.51 0.00 0.00 43.02 40.91 1x5d s PHE 32 CO 0.04 -0.08 0.07 1.52 0.70 0.00 0.00 175.22 177.46 1x5d s TYR 33 N 1.54 1.84 -0.08 0.36 -0.85 -0.71 -1.70 117.35 117.74 1x5d s TYR 33 Ca 0.10 -1.02 0.04 0.00 -0.52 0.00 0.00 57.07 55.66 1x5d s TYR 33 Cb -0.15 -1.17 0.00 0.00 0.38 0.00 0.00 41.96 41.03 1x5d s TYR 33 CO 0.08 -0.09 -0.20 0.00 -1.52 0.00 0.00 175.55 173.82 1x5d s ALA 34 N -3.43 1.84 -1.33 9.51 0.00 -1.26 -3.36 121.76 123.73 1x5d s ALA 34 Ca 0.37 -0.78 0.15 0.00 0.00 0.00 0.00 51.96 51.69 1x5d s ALA 34 Cb 0.08 -0.70 0.71 0.00 0.00 0.00 0.00 23.12 23.21 1x5d s ALA 34 CO 0.15 0.24 1.42 -0.35 0.00 0.00 0.00 175.76 177.22 1x5d n PRO 35 N 3.55 0.16 -0.07 0.00 -0.04 -1.26 -2.11 135.00 135.23 1x5d n PRO 35 Ca -0.20 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1x5d n PRO 35 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 1x5d n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5d n TRP 36 N -1.33 0.00 -4.41 0.54 4.27 -1.26 -5.00 117.44 110.24 1x5d n TRP 36 Ca 0.06 -0.73 -0.33 0.00 -3.89 0.00 0.00 57.50 52.61 1x5d n TRP 36 Cb 0.13 -0.10 -0.15 0.00 -1.36 0.00 0.00 31.31 29.82 1x5d n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5d h GLY 38 N 7.50 0.65 1.39 0.00 0.00 -1.94 -1.36 103.07 109.30 1x5d h GLY 38 Ca -0.36 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1x5d h GLY 38 CO 0.58 0.25 0.30 0.45 0.00 0.00 0.00 176.54 178.12 1x5d h HIS 39 N 0.62 0.00 0.00 5.60 3.86 -1.93 -2.24 115.15 121.06 1x5d h HIS 39 Ca 0.16 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.06 1x5d h HIS 39 Cb -0.04 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.38 1x5d h HIS 39 CO 0.00 0.00 -1.82 0.00 0.86 0.00 0.00 177.93 176.97 1x5d h LYS 41 N -1.00 0.00 0.00 0.00 2.10 -1.17 2.12 116.57 118.62 1x5d h LYS 41 Ca -0.47 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 57.92 1x5d h LYS 41 Cb 1.38 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.67 1x5d h LYS 41 CO -0.29 0.00 -1.47 -0.97 -2.00 0.00 0.00 179.45 174.72 1x5d h ASN 42 N 0.00 0.00 1.56 7.07 -1.24 -1.67 -3.33 115.58 117.97 1x5d h ASN 42 Ca 0.80 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.72 1x5d h ASN 42 Cb 3.29 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 42.33 1x5d h ASN 42 CO -0.01 0.95 -0.44 0.25 -1.29 0.00 0.00 177.43 176.89 1x5d h LEU 43 N 0.00 0.00 -0.80 0.34 5.85 0.31 -3.35 115.31 117.66 1x5d h LEU 43 Ca -0.20 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.59 1x5d h LEU 43 Cb 1.90 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.84 1x5d h LEU 43 CO 0.09 0.40 -0.47 1.21 -0.34 0.00 0.00 178.44 179.33 1x5d n GLU 44 N -3.18 -0.35 -0.09 1.25 4.07 0.16 0.22 120.64 122.72 1x5d n GLU 44 Ca 0.02 1.20 -0.12 0.00 -0.06 0.00 0.00 57.16 58.21 1x5d n GLU 44 Cb 0.70 -1.77 0.01 0.00 -0.06 0.00 0.00 31.44 30.32 1x5d n GLU 44 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1x5d h PRO 45 N 0.00 0.83 -0.31 5.31 0.13 -1.82 -1.98 132.00 134.17 1x5d h PRO 45 Ca 0.13 -0.44 0.05 0.00 -0.87 0.00 0.00 66.00 64.87 1x5d h PRO 45 Cb 0.33 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1x5d h PRO 45 CO -0.75 1.08 0.21 0.93 -0.23 0.00 0.00 178.00 179.24 1x5d h GLU 46 N 0.68 0.21 0.16 0.86 4.39 -0.67 -1.24 114.58 118.98 1x5d h GLU 46 Ca 0.05 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.40 1x5d h GLU 46 Cb 0.97 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1x5d h GLU 46 CO 0.09 0.14 -1.68 2.35 -1.16 0.00 0.00 179.01 178.75 1x5d h TRP 47 N 0.21 0.63 0.68 4.33 2.91 -0.11 -3.04 115.95 121.57 1x5d h TRP 47 Ca 0.13 -0.46 -0.03 0.00 1.13 0.00 0.00 58.89 59.66 1x5d h TRP 47 Cb 0.27 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1x5d h TRP 47 CO -0.00 1.57 -0.38 0.00 -1.03 0.00 0.00 178.44 178.60 1x5d h ALA 48 N 0.25 -1.00 -0.04 2.65 0.00 -0.74 -2.10 119.26 118.28 1x5d h ALA 48 Ca -0.31 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1x5d h ALA 48 Cb 2.08 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 20.28 1x5d h ALA 48 CO 0.17 -1.07 -0.16 0.00 0.00 0.00 0.00 179.25 178.20 1x5d h ALA 49 N -0.71 -0.16 -1.03 0.00 0.00 -1.43 -1.80 119.26 114.13 1x5d h ALA 49 Ca -0.09 0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.11 1x5d h ALA 49 Cb 0.78 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1x5d h ALA 49 CO 0.11 -0.64 0.63 0.00 0.00 0.00 0.00 179.25 179.36 1x5d h ALA 50 N 0.73 2.01 -0.31 0.00 0.00 -1.52 0.14 119.26 120.31 1x5d h ALA 50 Ca 0.06 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1x5d h ALA 50 Cb 0.33 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1x5d h ALA 50 CO -0.18 -0.48 0.19 0.00 0.00 0.00 0.00 179.25 178.78 1x5d h ALA 51 N 1.70 0.39 -0.37 0.00 0.00 -0.61 0.28 119.26 120.66 1x5d h ALA 51 Ca 0.65 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.45 1x5d h ALA 51 Cb 1.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1x5d h ALA 51 CO -0.42 -0.17 -0.15 0.77 0.00 0.00 0.00 179.25 179.28 1x5d h SER 52 N 0.39 0.77 0.18 0.00 0.02 -0.68 0.95 113.55 115.18 1x5d h SER 52 Ca 0.12 -0.39 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 1x5d h SER 52 Cb -0.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1x5d h SER 52 CO -0.05 0.99 -0.26 -0.08 -1.14 0.00 0.00 176.83 176.29 1x5d h GLU 53 N 0.54 0.14 0.23 3.45 4.57 -0.83 -0.66 114.58 122.03 1x5d h GLU 53 Ca 0.09 -0.04 -0.33 0.00 -1.18 0.00 0.00 59.36 57.89 1x5d h GLU 53 Cb 0.69 -0.01 0.03 0.00 -0.16 0.00 0.00 28.75 29.29 1x5d h GLU 53 CO 0.05 0.39 -1.48 0.28 -1.18 0.00 0.00 179.01 177.07 1x5d h VAL 54 N 0.13 1.27 -0.20 0.32 2.07 -0.26 -2.83 116.25 116.74 1x5d h VAL 54 Ca 0.02 -2.73 -0.11 0.00 0.82 0.00 0.00 66.70 64.70 1x5d h VAL 54 Cb 0.53 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1x5d h VAL 54 CO 0.04 0.83 -0.34 0.50 0.02 0.00 0.00 177.57 178.61 1x5d h LYS 55 N 0.13 0.43 -0.00 1.57 3.64 -0.64 0.33 116.57 122.03 1x5d h LYS 55 Ca -0.25 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 58.78 1x5d h LYS 55 Cb 2.14 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.93 1x5d h LYS 55 CO 0.26 0.72 -0.76 1.05 -2.27 0.00 0.00 179.45 178.45 1x5d h GLU 56 N 0.37 0.04 0.00 1.90 4.11 -1.21 1.02 114.58 120.81 1x5d h GLU 56 Ca 0.04 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 1x5d h GLU 56 Cb 0.78 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1x5d h GLU 56 CO 0.06 0.77 -0.35 1.96 0.07 0.00 0.00 179.01 181.53 1x5d h GLN 57 N 0.02 0.00 0.00 1.06 4.20 -1.27 -3.33 115.11 115.79 1x5d h GLN 57 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1x5d h GLN 57 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1x5d h GLN 57 CO 0.10 0.38 0.00 0.25 -0.67 0.00 0.00 178.83 178.89 1x5d n THR 58 N -4.64 0.00 -2.50 -0.54 -2.24 0.11 -4.83 114.28 99.65 1x5d n THR 58 Ca -0.09 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 1x5d n THR 58 Cb 0.29 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1x5d n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x5d n LYS 59 N -0.80 -2.20 0.00 -0.78 4.76 -0.62 -1.26 118.16 117.26 1x5d n LYS 59 Ca 0.10 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 1x5d n LYS 59 Cb 0.05 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 27.77 1x5d n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5d n GLY 60 N -1.12 2.02 0.10 0.72 0.00 0.34 -4.94 105.19 102.31 1x5d n GLY 60 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 1x5d n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x5d h LYS 61 N 2.64 -0.14 -6.42 1.61 1.63 -1.44 -3.36 116.57 111.09 1x5d h LYS 61 Ca 0.00 0.01 -0.54 0.00 -0.85 0.00 0.00 60.65 59.27 1x5d h LYS 61 Cb 0.00 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.60 1x5d h LYS 61 CO 0.00 -0.10 1.07 0.08 -3.45 0.00 0.00 179.45 177.05 1x5d s VAL 62 N -3.55 3.81 0.30 2.00 1.01 -1.26 -3.95 120.40 118.76 1x5d s VAL 62 Ca -0.03 0.65 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 1x5d s VAL 62 Cb 0.01 -4.61 -0.07 0.00 0.00 0.00 0.00 36.38 31.72 1x5d s VAL 62 CO 0.12 -1.37 0.64 -0.54 0.00 0.00 0.00 175.10 173.95 1x5d s LYS 63 N 5.49 3.80 -0.14 2.72 1.02 0.24 -4.42 119.74 128.45 1x5d s LYS 63 Ca 0.46 0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.83 1x5d s LYS 63 Cb -0.09 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1x5d s LYS 63 CO 0.22 0.17 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.10 1x5d s LEU 64 N -3.26 2.07 0.22 3.17 1.02 -1.26 -0.28 118.68 120.36 1x5d s LEU 64 Ca 0.49 -0.59 0.04 0.00 0.02 0.00 0.00 54.13 54.09 1x5d s LEU 64 Cb -0.11 -1.41 -0.05 0.00 0.02 0.00 0.00 46.19 44.64 1x5d s LEU 64 CO 0.25 0.08 -0.03 0.00 0.02 0.00 0.00 176.35 176.67 1x5d s ALA 65 N 0.81 1.77 0.23 4.21 0.00 0.66 -1.95 121.76 127.49 1x5d s ALA 65 Ca -0.08 -1.72 0.08 0.00 0.00 0.00 0.00 51.96 50.25 1x5d s ALA 65 Cb -0.16 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 1x5d s ALA 65 CO -0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 175.76 175.41 1x5d s ALA 66 N -3.37 2.21 -0.03 0.00 0.00 0.35 -1.52 121.76 119.39 1x5d s ALA 66 Ca 0.26 -1.75 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 1x5d s ALA 66 Cb 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1x5d s ALA 66 CO 0.07 0.07 0.11 0.08 0.00 0.00 0.00 175.76 176.10 1x5d s VAL 67 N -2.90 0.02 -0.55 0.00 1.01 0.18 -2.90 120.40 115.26 1x5d s VAL 67 Ca 0.25 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 1x5d s VAL 67 Cb -0.00 -0.21 0.07 0.00 0.00 0.00 0.00 36.38 36.23 1x5d s VAL 67 CO 0.09 -0.08 0.72 -1.81 0.00 0.00 0.00 175.10 174.02 1x5d s ASP 68 N -0.21 6.22 0.14 3.32 1.11 -1.26 -1.74 116.67 124.24 1x5d s ASP 68 Ca -0.03 -1.04 0.09 0.00 0.18 0.00 0.00 52.55 51.75 1x5d s ASP 68 Cb -0.02 -2.32 0.47 0.00 1.07 0.00 0.00 42.92 42.12 1x5d s ASP 68 CO 0.00 -1.05 1.24 0.00 1.18 0.00 0.00 175.17 176.54 1x5d n ALA 69 N 6.51 0.96 0.64 5.23 0.00 -1.21 -0.19 120.51 132.45 1x5d n ALA 69 Ca -0.06 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1x5d n ALA 69 Cb 0.45 -1.07 0.31 0.00 0.00 0.00 0.00 19.45 19.14 1x5d n ALA 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5d n THR 70 N -1.79 0.44 -0.00 0.00 -2.24 -1.26 -4.19 114.28 105.23 1x5d n THR 70 Ca -0.01 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1x5d n THR 70 Cb 0.05 -0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1x5d n THR 70 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1x5d n VAL 71 N -2.13 0.05 -2.90 2.28 0.31 0.74 -4.97 118.33 111.71 1x5d n VAL 71 Ca 0.05 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 1x5d n VAL 71 Cb 0.43 -0.71 -0.05 0.00 -0.91 0.00 0.00 33.84 32.59 1x5d n VAL 71 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1x5d s ASN 72 N -3.68 6.43 -0.18 4.52 0.01 0.60 -4.85 114.94 117.80 1x5d s ASN 72 Ca -0.01 -0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 1x5d s ASN 72 Cb 0.00 -2.41 -0.12 0.00 0.41 0.00 0.00 41.25 39.13 1x5d s ASN 72 CO 0.02 -1.00 -0.14 0.00 -1.51 0.00 0.00 177.10 174.47 1x5d n GLN 73 N 6.97 0.55 -0.08 -0.60 1.13 -1.26 -3.85 117.38 120.23 1x5d n GLN 73 Ca 0.04 0.10 -0.07 0.00 -1.94 0.00 0.00 57.00 55.13 1x5d n GLN 73 Cb 0.48 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.46 1x5d n GLN 73 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x5d h VAL 74 N 0.00 0.66 0.00 5.09 2.07 -1.91 0.19 116.25 122.36 1x5d h VAL 74 Ca -0.40 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1x5d h VAL 74 Cb 1.64 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1x5d h VAL 74 CO -0.06 0.00 -0.00 -0.07 0.02 0.00 0.00 177.57 177.46 1x5d h LEU 75 N -0.03 -0.00 -1.49 2.57 3.38 -1.87 -1.52 115.31 116.34 1x5d h LEU 75 Ca 0.15 -0.66 0.23 0.00 0.09 0.00 0.00 57.88 57.69 1x5d h LEU 75 Cb 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1x5d h LEU 75 CO -0.32 0.66 0.63 0.00 0.09 0.00 0.00 178.44 179.49 1x5d h ALA 76 N 0.32 2.25 0.00 1.53 0.00 -1.63 0.27 119.26 122.00 1x5d h ALA 76 Ca -0.00 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1x5d h ALA 76 Cb 0.66 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1x5d h ALA 76 CO 0.00 -0.57 -1.01 0.77 0.00 0.00 0.00 179.25 178.44 1x5d h SER 77 N 0.39 0.00 -0.62 0.00 0.02 -0.62 1.01 113.55 113.73 1x5d h SER 77 Ca 0.51 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.41 1x5d h SER 77 Cb 1.31 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 1x5d h SER 77 CO -0.20 0.67 0.19 -0.09 -1.14 0.00 0.00 176.83 176.25 1x5d h ARG 78 N 0.00 0.96 0.00 3.45 2.43 0.58 -3.30 114.38 118.50 1x5d h ARG 78 Ca -0.08 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.83 1x5d h ARG 78 Cb 1.58 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 1x5d h ARG 78 CO 0.07 0.86 -1.48 0.66 -1.51 0.00 0.00 179.97 178.57 1x5d n TYR 79 N -4.38 0.00 -0.88 2.20 4.01 -0.74 -5.07 117.16 112.31 1x5d n TYR 79 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1x5d n TYR 79 Cb 0.21 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1x5d n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x5d n GLY 80 N 2.08 0.03 3.34 2.72 0.00 0.30 -5.04 105.19 108.63 1x5d n GLY 80 Ca -0.05 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.14 1x5d n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5d s ILE 81 N -1.56 5.21 0.00 -0.61 -1.09 0.14 -4.78 121.20 118.51 1x5d s ILE 81 Ca 0.00 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.12 1x5d s ILE 81 Cb 0.00 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1x5d s ILE 81 CO 0.00 -0.75 0.00 -2.11 -1.23 0.00 0.00 174.94 170.85 1x5d n ARG 82 N 5.26 2.89 -3.48 2.79 1.85 -1.26 -4.93 116.66 119.77 1x5d n ARG 82 Ca -0.13 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.29 1x5d n ARG 82 Cb 0.42 -0.88 -0.08 0.00 -1.05 0.00 0.00 32.46 30.87 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1x5d s GLY 83 N -2.43 2.04 0.15 2.89 0.00 -1.26 -5.07 107.32 103.65 1x5d s GLY 83 Ca 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 44.72 42.28 1x5d s GLY 83 CO 0.00 1.11 0.31 -1.36 0.00 0.00 0.00 173.10 173.15 1x5d s PHE 84 N 1.46 3.49 0.87 1.90 0.08 -1.26 -4.10 117.98 120.42 1x5d s PHE 84 Ca 0.04 0.22 -0.11 0.00 0.12 0.00 0.00 56.93 57.20 1x5d s PHE 84 Cb -0.27 -1.74 0.11 0.00 -0.57 0.00 0.00 43.02 40.55 1x5d s PHE 84 CO 0.01 0.49 1.09 -1.25 -0.10 0.00 0.00 175.22 175.46 1x5d s PRO 85 N -3.13 1.49 -0.22 0.24 0.04 -1.26 -4.93 135.00 127.23 1x5d s PRO 85 Ca 0.36 0.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 1x5d s PRO 85 Cb -0.11 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1x5d s PRO 85 CO 0.28 -2.10 0.13 0.99 0.04 0.00 0.00 177.00 176.34 1x5d s THR 86 N -2.93 -0.12 -0.20 1.26 2.01 -0.69 -4.96 115.64 110.01 1x5d s THR 86 Ca 0.63 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 1x5d s THR 86 Cb -0.18 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1x5d s THR 86 CO 0.57 -0.42 0.28 -0.63 -0.69 0.00 0.00 174.62 173.73 1x5d s ILE 87 N 2.16 5.29 -0.01 1.82 1.01 -1.26 -0.74 121.20 129.47 1x5d s ILE 87 Ca 0.05 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.19 1x5d s ILE 87 Cb -0.16 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1x5d s ILE 87 CO -0.19 0.33 -0.10 -0.54 0.00 0.00 0.00 174.94 174.44 1x5d s LYS 88 N 0.94 0.82 -0.10 2.79 -0.14 0.10 -1.75 119.74 122.40 1x5d s LYS 88 Ca 0.14 -0.36 -0.03 0.00 -1.36 0.00 0.00 55.97 54.36 1x5d s LYS 88 Cb -0.14 -0.79 -0.03 0.00 -1.68 0.00 0.00 37.83 35.19 1x5d s LYS 88 CO 0.05 0.21 0.00 0.42 -0.76 0.00 0.00 175.35 175.28 1x5d s ILE 89 N -0.22 4.30 -0.05 2.17 1.09 -0.96 -1.40 121.20 126.13 1x5d s ILE 89 Ca 0.04 -0.24 0.04 0.00 -1.10 0.00 0.00 60.65 59.38 1x5d s ILE 89 Cb -0.04 -2.83 -0.00 0.00 -1.06 0.00 0.00 42.46 38.53 1x5d s ILE 89 CO -0.00 0.58 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.89 1x5d s PHE 90 N -0.60 1.64 -0.06 3.97 0.40 -1.22 -1.20 117.98 120.91 1x5d s PHE 90 Ca 0.10 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1x5d s PHE 90 Cb -0.12 -1.12 0.02 0.00 0.51 0.00 0.00 43.02 42.31 1x5d s PHE 90 CO 0.02 -0.19 -0.07 -0.65 0.70 0.00 0.00 175.22 175.04 1x5d s GLN 91 N 0.16 1.12 0.44 0.44 -0.21 -1.26 -3.18 119.66 117.16 1x5d s GLN 91 Ca -0.06 -0.20 -0.23 0.00 0.02 0.00 0.00 55.36 54.90 1x5d s GLN 91 Cb -0.12 -1.06 -0.11 0.00 1.00 0.00 0.00 33.01 32.72 1x5d s GLN 91 CO 0.03 -0.07 0.80 1.17 -2.12 0.00 0.00 175.29 175.10 1x5d n LYS 92 N 4.07 0.95 -1.13 2.91 3.00 -1.26 -0.52 118.16 126.18 1x5d n LYS 92 Ca -0.23 0.35 -0.06 0.00 -0.00 0.00 0.00 58.31 58.37 1x5d n LYS 92 Cb 0.51 -1.82 -0.03 0.00 0.00 0.00 0.00 35.03 33.70 1x5d n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5d n GLY 93 N 1.46 0.56 3.11 3.14 0.00 -1.26 -4.91 105.19 107.29 1x5d n GLY 93 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1x5d n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5d s GLU 94 N -2.42 0.69 0.24 1.61 2.02 0.32 -5.16 118.70 116.00 1x5d s GLU 94 Ca 0.00 -1.28 -0.17 0.00 0.02 0.00 0.00 54.97 53.54 1x5d s GLU 94 Cb 0.00 0.21 -0.08 0.00 0.10 0.00 0.00 34.13 34.36 1x5d s GLU 94 CO 0.00 -0.15 0.69 -1.54 0.02 0.00 0.00 175.26 174.28 1x5d s SER 95 N -2.95 6.92 0.35 -0.19 1.04 -1.26 -4.36 113.70 113.24 1x5d s SER 95 Ca 0.11 1.30 -0.27 0.00 0.48 0.00 0.00 55.95 57.57 1x5d s SER 95 Cb 0.08 -2.38 -0.09 0.00 0.10 0.00 0.00 66.02 63.73 1x5d s SER 95 CO -0.07 -0.03 1.21 -2.16 0.98 0.00 0.00 173.24 173.17 1x5d s PRO 96 N -2.29 4.28 0.27 4.02 0.04 -1.26 -4.62 135.00 135.44 1x5d s PRO 96 Ca 0.45 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.56 1x5d s PRO 96 Cb -0.14 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1x5d s PRO 96 CO 0.20 -0.17 0.15 0.14 0.04 0.00 0.00 177.00 177.36 1x5d s VAL 97 N -1.25 3.91 -0.36 -0.36 -7.23 -0.34 -4.96 120.40 109.80 1x5d s VAL 97 Ca 0.51 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 1x5d s VAL 97 Cb -0.35 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.44 1x5d s VAL 97 CO 0.45 -0.32 0.21 1.51 -0.31 0.00 0.00 175.10 176.63 1x5d s ASP 98 N -3.81 5.75 0.24 4.85 -4.77 -1.26 -2.27 116.67 115.40 1x5d s ASP 98 Ca 0.34 -0.84 -0.30 0.00 -3.30 0.00 0.00 52.55 48.45 1x5d s ASP 98 Cb -0.07 -2.04 -0.09 0.00 -1.09 0.00 0.00 42.92 39.63 1x5d s ASP 98 CO 0.23 -0.34 1.34 -0.47 0.70 0.00 0.00 175.17 176.63 1x5d s TYR 99 N 1.59 3.16 -0.06 2.11 5.04 -0.72 -5.02 117.35 123.46 1x5d s TYR 99 Ca 0.03 1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 55.86 1x5d s TYR 99 Cb -0.19 -3.66 0.04 0.00 0.35 0.00 0.00 41.96 38.50 1x5d s TYR 99 CO 0.07 -2.04 0.07 0.16 -1.34 0.00 0.00 175.55 172.48 1x5d s ASP 100 N 0.14 1.27 0.00 4.32 1.47 -1.26 -4.69 116.67 117.91 1x5d s ASP 100 Ca 0.55 0.01 0.00 0.00 1.18 0.00 0.00 52.55 54.29 1x5d s ASP 100 Cb -0.38 -0.11 0.00 0.00 -0.34 0.00 0.00 42.92 42.09 1x5d s ASP 100 CO 0.42 -0.26 0.00 0.61 0.68 0.00 0.00 175.17 176.62 1x5d n GLY 101 N 5.30 -0.48 3.72 2.12 0.00 -1.26 -5.11 105.19 109.48 1x5d n GLY 101 Ca -0.04 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1x5d n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5d s GLY 102 N 0.00 2.67 -0.12 -0.02 0.00 -1.26 -4.94 107.32 103.65 1x5d s GLY 102 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.90 1x5d s GLY 102 CO 0.00 1.17 1.44 -0.96 0.00 0.00 0.00 173.10 174.75 1x5d n ARG 103 N 3.56 1.31 -4.20 2.90 1.85 -1.26 -4.12 116.66 116.71 1x5d n ARG 103 Ca -0.01 -0.70 -0.35 0.00 -1.00 0.00 0.00 57.85 55.79 1x5d n ARG 103 Cb 0.51 -1.27 -0.09 0.00 -1.05 0.00 0.00 32.46 30.55 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x5d s THR 104 N -0.85 4.57 0.43 8.89 -4.23 -1.26 -4.81 115.64 118.38 1x5d s THR 104 Ca 0.13 -0.13 0.33 0.00 -1.18 0.00 0.00 61.69 60.84 1x5d s THR 104 Cb 0.11 -2.99 0.50 0.00 1.34 0.00 0.00 72.50 71.47 1x5d s THR 104 CO 0.02 0.55 1.47 -2.11 -0.54 0.00 0.00 174.62 174.00 1x5d n ARG 105 N 2.72 -0.03 0.16 3.99 1.85 -1.15 0.09 116.66 124.28 1x5d n ARG 105 Ca -0.18 1.15 -0.15 0.00 -1.00 0.00 0.00 57.85 57.67 1x5d n ARG 105 Cb 0.53 -2.32 -0.08 0.00 -1.05 0.00 0.00 32.46 29.54 1x5d n ARG 105 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1x5d h SER 106 N 0.00 -1.25 0.08 2.89 0.02 -1.93 0.03 113.55 113.39 1x5d h SER 106 Ca 0.84 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.91 1x5d h SER 106 Cb 2.79 0.45 0.00 0.00 0.14 0.00 0.00 62.40 65.79 1x5d h SER 106 CO -0.38 -0.52 -0.04 0.44 -1.14 0.00 0.00 176.83 175.19 1x5d h ASP 107 N -0.73 -0.09 -1.05 3.07 3.32 -0.61 -2.28 116.42 118.05 1x5d h ASP 107 Ca -0.00 -0.49 0.35 0.00 0.02 0.00 0.00 57.03 56.91 1x5d h ASP 107 Cb 0.72 0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.14 1x5d h ASP 107 CO -0.19 0.50 0.61 0.40 -1.72 0.00 0.00 179.24 178.84 1x5d h ILE 108 N -0.74 0.23 0.01 0.35 2.04 -1.13 0.13 117.51 118.40 1x5d h ILE 108 Ca -0.01 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1x5d h ILE 108 Cb 0.58 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1x5d h ILE 108 CO 0.02 0.04 -0.22 0.58 0.00 0.00 0.00 178.15 178.57 1x5d h VAL 109 N 0.23 1.59 -0.89 1.67 2.07 -1.00 -3.12 116.25 116.81 1x5d h VAL 109 Ca 0.76 -2.04 0.22 0.00 0.82 0.00 0.00 66.70 66.46 1x5d h VAL 109 Cb 1.90 2.91 -0.12 0.00 -1.52 0.00 0.00 31.29 34.46 1x5d h VAL 109 CO -0.60 0.55 0.38 -1.28 0.02 0.00 0.00 177.57 176.65 1x5d h SER 110 N -0.61 0.32 0.62 0.57 0.87 -0.19 -2.00 113.55 113.14 1x5d h SER 110 Ca -0.03 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1x5d h SER 110 Cb 1.03 0.13 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1x5d h SER 110 CO 0.04 0.00 -0.30 -0.09 -0.53 0.00 0.00 176.83 175.96 1x5d h ARG 111 N 0.40 -0.80 -1.71 2.24 9.65 -1.26 -2.86 114.38 120.03 1x5d h ARG 111 Ca 0.55 0.05 0.52 0.00 -1.10 0.00 0.00 59.98 60.00 1x5d h ARG 111 Cb 1.04 0.18 -0.10 0.00 -1.39 0.00 0.00 29.97 29.70 1x5d h ARG 111 CO -0.52 -0.53 1.20 0.00 2.80 0.00 0.00 179.97 182.91 1x5d h ALA 112 N -1.47 3.46 -0.09 2.80 0.00 -1.35 0.78 119.26 123.38 1x5d h ALA 112 Ca -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1x5d h ALA 112 Cb 0.64 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1x5d h ALA 112 CO 0.14 -2.04 -0.03 -0.07 0.00 0.00 0.00 179.25 177.24 1x5d h LEU 113 N 0.01 0.19 -0.97 0.00 3.38 -1.17 0.42 115.31 117.18 1x5d h LEU 113 Ca 0.88 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 58.65 1x5d h LEU 113 Cb 3.31 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 43.91 1x5d h LEU 113 CO -0.16 0.54 0.57 -0.78 0.09 0.00 0.00 178.44 178.70 1x5d h ASP 114 N -0.16 0.71 0.02 -0.43 3.58 0.76 -1.59 116.42 119.30 1x5d h ASP 114 Ca 0.02 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 1x5d h ASP 114 Cb 0.46 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.50 1x5d h ASP 114 CO 0.01 0.24 -0.25 -0.07 -2.88 0.00 0.00 179.24 176.30 1x5d h LEU 115 N 0.71 0.18 -1.18 2.28 3.38 -1.42 -3.29 115.31 115.97 1x5d h LEU 115 Ca 0.56 -0.86 0.32 0.00 0.09 0.00 0.00 57.88 58.00 1x5d h LEU 115 Cb 0.88 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 1x5d h LEU 115 CO -0.39 1.02 0.66 0.15 0.09 0.00 0.00 178.44 179.97 1x5d h PHE 116 N -0.63 0.78 -0.87 1.13 3.57 -0.18 0.44 116.94 121.17 1x5d h PHE 116 Ca -0.04 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.63 1x5d h PHE 116 Cb 1.08 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.52 1x5d h PHE 116 CO 0.21 -0.10 0.48 0.66 -2.23 0.00 0.00 178.31 177.33 1x5d h SER 117 N 0.32 0.62 0.00 0.41 4.64 -1.38 -0.23 113.55 117.92 1x5d h SER 117 Ca 0.71 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 62.11 1x5d h SER 117 Cb 1.78 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1x5d h SER 117 CO -0.47 0.28 -0.04 -0.78 -0.87 0.00 0.00 176.83 174.95 1x5d h ASP 118 N 0.70 0.00 0.00 4.97 1.82 -0.34 -3.41 116.42 120.16 1x5d h ASP 118 Ca 0.46 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1x5d h ASP 118 Cb 0.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1x5d h ASP 118 CO -0.33 0.62 0.00 0.59 -1.61 0.00 0.00 179.24 178.51 1x5d n ASN 119 N -4.74 0.00 -4.77 2.28 3.02 -0.51 -4.59 115.26 105.96 1x5d n ASN 119 Ca -0.03 0.75 -0.36 0.00 -0.03 0.00 0.00 54.58 54.92 1x5d n ASN 119 Cb 0.12 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1x5d n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5d s ALA 120 N -3.10 2.85 0.29 5.41 0.00 -0.11 -4.99 121.76 122.12 1x5d s ALA 120 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 1x5d s ALA 120 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1x5d s ALA 120 CO 0.00 -0.71 1.24 -1.25 0.00 0.00 0.00 175.76 175.05 1x5d s PRO 121 N -2.95 4.45 0.91 0.00 0.04 -1.26 -4.61 135.00 131.58 1x5d s PRO 121 Ca 0.68 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 1x5d s PRO 121 Cb -0.26 -3.13 0.14 0.00 0.04 0.00 0.00 34.50 31.28 1x5d s PRO 121 CO 0.31 -0.08 1.09 -1.25 0.04 0.00 0.00 177.00 177.12 1x5d s PRO 122 N -1.35 1.13 0.43 0.56 0.04 -1.26 -5.06 135.00 129.49 1x5d s PRO 122 Ca 0.49 0.78 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 1x5d s PRO 122 Cb -0.37 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.48 1x5d s PRO 122 CO 0.46 -2.32 0.38 -0.35 0.04 0.00 0.00 177.00 175.22 1x5d n PRO 123 N -3.93 -1.77 -2.62 0.56 -0.04 -1.26 -4.90 135.00 121.04 1x5d n PRO 123 Ca 0.07 -0.61 -0.41 0.00 -0.04 0.00 0.00 63.50 62.50 1x5d n PRO 123 Cb 0.56 -0.57 -0.03 0.00 -0.04 0.00 0.00 33.50 33.41 1x5d n PRO 123 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1x5d s GLU 124 N -3.87 3.58 0.45 0.54 0.41 -1.26 -4.98 118.70 113.56 1x5d s GLU 124 Ca 0.25 -1.19 0.06 0.00 -0.41 0.00 0.00 54.97 53.68 1x5d s GLU 124 Cb -0.02 -5.24 0.02 0.00 -1.78 0.00 0.00 34.13 27.10 1x5d s GLU 124 CO 0.19 -2.13 0.62 -0.48 -0.49 0.00 0.00 175.26 172.97 1x5d s LEU 125 N 4.63 3.57 -0.55 1.80 0.05 -1.26 -5.07 118.68 121.84 1x5d s LEU 125 Ca 0.43 -0.32 0.06 0.00 0.05 0.00 0.00 54.13 54.35 1x5d s LEU 125 Cb -0.01 -2.71 0.24 0.00 -2.05 0.00 0.00 46.19 41.66 1x5d s LEU 125 CO -0.09 -0.85 0.62 -0.11 -0.55 0.00 0.00 176.35 175.37 1x5d n LEU 126 N -1.97 2.21 -3.77 1.48 7.94 -1.26 -5.07 117.00 116.56 1x5d n LEU 126 Ca 0.08 -5.10 -0.01 0.00 -1.11 0.00 0.00 56.01 49.87 1x5d n LEU 126 Cb 0.59 -0.16 -0.00 0.00 0.53 0.00 0.00 43.42 44.38 1x5d n LEU 126 CO 0.40 2.02 0.87 -1.83 -1.11 0.00 0.00 177.39 177.75 1x5d s GLU 127 N -1.78 0.93 -0.05 1.96 -1.05 -1.26 -5.07 118.70 112.38 1x5d s GLU 127 Ca 0.36 -0.55 -0.22 0.00 -0.15 0.00 0.00 54.97 54.42 1x5d s GLU 127 Cb 0.13 0.30 -0.17 0.00 -0.44 0.00 0.00 34.13 33.95 1x5d s GLU 127 CO -0.07 -0.43 0.91 1.03 0.95 0.00 0.00 175.26 177.65 1x5d h SER 128 N 2.00 -0.15 -3.98 0.83 0.87 -2.08 -3.50 113.55 107.54 1x5d h SER 128 Ca -0.27 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 1x5d h SER 128 Cb 1.22 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1x5d h SER 128 CO 0.29 0.42 -0.35 0.61 -0.53 0.00 0.00 176.83 177.26 1x5d n GLY 129 N 0.61 -2.44 3.57 5.77 0.00 -1.26 -4.90 105.19 106.54 1x5d n GLY 129 Ca -0.08 0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1x5d n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5d s PRO 130 N -1.15 2.95 0.35 1.61 0.04 -1.26 -4.93 135.00 132.61 1x5d s PRO 130 Ca 0.05 0.91 -0.06 0.00 0.04 0.00 0.00 61.00 61.94 1x5d s PRO 130 Cb -0.01 -4.29 0.02 0.00 0.04 0.00 0.00 34.50 30.25 1x5d s PRO 130 CO 0.35 -2.34 0.55 0.45 0.04 0.00 0.00 177.00 176.06 1x5d s SER 131 N 7.06 0.64 -1.34 6.66 0.15 -1.26 -4.95 113.70 120.66 1x5d s SER 131 Ca 0.71 -1.37 -0.06 0.00 0.70 0.00 0.00 55.95 55.93 1x5d s SER 131 Cb -0.16 0.71 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1x5d s SER 131 CO 0.26 -1.39 1.02 -1.20 1.20 0.00 0.00 173.24 173.14 1x5d n SER 132 N -1.35 -4.10 0.00 5.45 7.64 -1.26 -5.29 113.62 114.71 1x5d n SER 132 Ca -0.01 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1x5d n SER 132 Cb 0.61 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 59.11 1x5d n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64