#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4i s SER 2 N 0.00 5.47 0.25 1.61 0.01 -1.26 -5.08 113.70 114.70 1x4i s SER 2 Ca 0.00 -0.81 0.06 0.00 1.31 0.00 0.00 55.95 56.51 1x4i s SER 2 Cb 0.00 -1.96 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 1x4i s SER 2 CO 0.00 -0.27 -0.07 -0.44 0.41 0.00 0.00 173.24 172.87 1x4i s SER 3 N 1.54 2.48 0.00 2.44 0.01 -1.26 -4.92 113.70 113.99 1x4i s SER 3 Ca 0.02 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1x4i s SER 3 Cb -0.18 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1x4i s SER 3 CO 0.05 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x4i n GLY 4 N -0.49 3.29 3.85 3.44 0.00 -1.26 -5.10 105.19 108.92 1x4i n GLY 4 Ca -0.06 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1x4i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4i s SER 5 N 0.00 6.77 0.00 1.61 1.04 -1.26 -4.97 113.70 116.89 1x4i s SER 5 Ca 0.00 1.00 0.29 0.00 0.48 0.00 0.00 55.95 57.72 1x4i s SER 5 Cb 0.00 -2.26 1.19 0.00 0.10 0.00 0.00 66.02 65.05 1x4i s SER 5 CO 0.00 0.11 1.89 -0.24 0.98 0.00 0.00 173.24 175.98 1x4i n SER 6 N 0.77 0.05 -2.96 7.02 2.88 -1.26 -4.97 113.62 115.15 1x4i n SER 6 Ca -0.06 0.40 -0.01 0.00 -1.33 0.00 0.00 58.87 57.87 1x4i n SER 6 Cb 0.52 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.54 1x4i n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4i n GLY 7 N 1.49 -1.59 0.99 0.46 0.00 -1.26 -4.95 105.19 100.33 1x4i n GLY 7 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1x4i n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x4i n TYR 8 N 2.02 0.00 -0.77 1.61 4.02 -0.10 -4.80 117.16 119.14 1x4i n TYR 8 Ca -0.11 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.46 1x4i n TYR 8 Cb 0.24 0.01 0.13 0.00 -0.02 0.00 0.00 39.34 39.70 1x4i n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x4i h ILE 10 N -1.68 0.65 0.00 0.00 3.07 -1.92 0.51 117.51 118.13 1x4i h ILE 10 Ca -0.46 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.95 1x4i h ILE 10 Cb 1.31 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1x4i h ILE 10 CO 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.45 1x4i n ASN 12 N -0.62 -3.57 -4.41 0.00 4.13 0.18 -4.99 115.26 105.98 1x4i n ASN 12 Ca 0.05 -0.73 -0.21 0.00 1.68 0.00 0.00 54.58 55.37 1x4i n ASN 12 Cb 0.02 -4.33 -0.10 0.00 -1.54 0.00 0.00 39.78 33.83 1x4i n ASN 12 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1x4i s GLN 13 N -6.19 1.51 0.99 3.52 -1.52 -1.25 -4.45 119.66 112.27 1x4i s GLN 13 Ca 0.35 -1.70 -0.13 0.00 -1.95 0.00 0.00 55.36 51.93 1x4i s GLN 13 Cb -0.17 -1.41 0.12 0.00 -0.22 0.00 0.00 33.01 31.34 1x4i s GLN 13 CO 0.79 0.22 0.69 1.33 -0.25 0.00 0.00 175.29 178.08 1x4i n VAL 14 N -0.52 0.00 -2.90 1.09 0.24 -1.26 -0.92 118.33 114.06 1x4i n VAL 14 Ca -0.06 -0.17 -0.44 0.00 -2.04 0.00 0.00 64.34 61.63 1x4i n VAL 14 Cb 0.61 -0.80 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 1x4i n VAL 14 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x4i s SER 15 N -2.26 6.66 0.48 -1.34 0.01 -1.26 -4.69 113.70 111.30 1x4i s SER 15 Ca 0.62 -2.08 0.02 0.00 1.31 0.00 0.00 55.95 55.82 1x4i s SER 15 Cb -0.21 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1x4i s SER 15 CO 0.64 -1.07 0.03 -0.72 0.41 0.00 0.00 173.24 172.53 1x4i s TYR 16 N 2.78 1.90 0.18 2.43 -0.85 -1.26 -5.07 117.35 117.47 1x4i s TYR 16 Ca 0.35 -1.00 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1x4i s TYR 16 Cb -0.04 -1.52 0.00 0.00 0.38 0.00 0.00 41.96 40.78 1x4i s TYR 16 CO -0.09 0.13 0.00 0.41 -1.52 0.00 0.00 175.55 174.48 1x4i n GLY 17 N -1.16 -1.02 3.61 5.49 0.00 -1.26 -4.42 105.19 106.43 1x4i n GLY 17 Ca -0.15 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 1x4i n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4i n GLU 18 N -2.54 2.10 -4.39 1.61 1.02 -1.26 -4.96 120.64 112.21 1x4i n GLU 18 Ca 0.00 0.66 -0.30 0.00 -0.02 0.00 0.00 57.16 57.51 1x4i n GLU 18 Cb 0.59 -3.02 -0.12 0.00 -0.02 0.00 0.00 31.44 28.87 1x4i n GLU 18 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1x4i s MET 19 N 5.63 1.74 -0.30 3.49 -1.94 -1.26 -3.30 119.30 123.36 1x4i s MET 19 Ca 0.98 -1.19 -0.03 0.00 -1.71 0.00 0.00 55.69 53.74 1x4i s MET 19 Cb -0.46 -2.07 0.04 0.00 2.01 0.00 0.00 34.83 34.34 1x4i s MET 19 CO 0.40 0.48 0.02 0.54 -0.01 0.00 0.00 175.02 176.46 1x4i s VAL 20 N -1.08 3.24 -0.07 -6.03 0.11 -0.69 -4.92 120.40 110.96 1x4i s VAL 20 Ca 0.16 -1.25 -0.30 0.00 -2.93 0.00 0.00 61.98 57.67 1x4i s VAL 20 Cb -0.10 -2.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 1x4i s VAL 20 CO 0.08 -0.09 1.47 -0.83 -3.33 0.00 0.00 175.10 172.41 1x4i s GLY 21 N 1.31 1.66 0.19 6.54 0.00 -1.26 -3.06 107.32 112.70 1x4i s GLY 21 Ca -0.03 0.79 -0.33 0.00 0.00 0.00 0.00 44.72 45.15 1x4i s GLY 21 CO -0.00 2.72 1.41 0.00 0.00 0.00 0.00 173.10 177.23 1x4i h ASP 23 N 4.60 0.36 -2.65 0.00 1.82 -1.92 -3.36 116.42 115.27 1x4i h ASP 23 Ca -0.45 0.03 -0.54 0.00 -0.39 0.00 0.00 57.03 55.67 1x4i h ASP 23 Cb 1.29 -0.05 -0.08 0.00 0.68 0.00 0.00 39.33 41.18 1x4i h ASP 23 CO 0.79 0.18 1.04 0.21 -1.61 0.00 0.00 179.24 179.84 1x4i s ASN 24 N -5.87 6.25 0.54 2.28 2.47 -1.26 -4.86 114.94 114.48 1x4i s ASN 24 Ca -0.08 -0.24 0.24 0.00 0.42 0.00 0.00 52.86 53.20 1x4i s ASN 24 Cb 0.21 -2.56 1.44 0.00 -1.45 0.00 0.00 41.25 38.89 1x4i s ASN 24 CO 0.77 -1.72 2.07 1.56 -3.72 0.00 0.00 177.10 176.05 1x4i h GLN 25 N 9.94 0.00 0.00 0.43 7.50 -1.99 0.15 115.11 131.14 1x4i h GLN 25 Ca -0.27 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 58.87 1x4i h GLN 25 Cb 1.05 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.58 1x4i h GLN 25 CO 1.25 0.00 -0.03 -0.44 -1.50 0.00 0.00 178.83 178.10 1x4i h ASP 26 N 0.00 0.00 -1.97 1.46 3.32 -1.92 -3.44 116.42 113.87 1x4i h ASP 26 Ca 0.14 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.54 1x4i h ASP 26 Cb 0.59 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.22 1x4i h ASP 26 CO -0.00 0.03 0.30 0.00 -1.72 0.00 0.00 179.24 177.86 1x4i h PRO 28 N 3.51 0.00 0.00 0.00 0.13 -1.88 -3.33 132.00 130.43 1x4i h PRO 28 Ca -0.44 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 1x4i h PRO 28 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 1x4i h PRO 28 CO 0.71 0.00 -1.46 -0.89 -0.23 0.00 0.00 178.00 176.13 1x4i n ILE 29 N -2.93 1.06 -1.99 -3.56 5.41 -1.26 -4.98 119.36 111.10 1x4i n ILE 29 Ca 0.01 -0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.57 1x4i n ILE 29 Cb 0.28 -1.83 -0.03 0.00 -0.71 0.00 0.00 39.64 37.36 1x4i n ILE 29 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x4i n GLU 30 N -3.84 -1.83 -3.15 0.38 2.13 -1.25 -4.87 120.64 108.21 1x4i n GLU 30 Ca -0.24 0.65 0.04 0.00 0.66 0.00 0.00 57.16 58.27 1x4i n GLU 30 Cb 0.58 -5.09 -0.01 0.00 0.27 0.00 0.00 31.44 27.19 1x4i n GLU 30 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1x4i s TRP 31 N -2.37 -1.34 0.03 4.31 0.52 -1.26 -3.42 118.94 115.41 1x4i s TRP 31 Ca 0.00 1.22 0.05 0.00 0.02 0.00 0.00 56.10 57.39 1x4i s TRP 31 Cb 0.00 0.39 -0.02 0.00 -1.15 0.00 0.00 33.47 32.69 1x4i s TRP 31 CO 0.00 -0.75 -0.15 -0.06 0.02 0.00 0.00 176.95 176.01 1x4i s PHE 32 N 2.88 1.35 0.66 -1.98 0.40 -1.17 -3.48 117.98 116.64 1x4i s PHE 32 Ca 0.14 -0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.00 1x4i s PHE 32 Cb -0.12 -0.82 -0.00 0.00 0.51 0.00 0.00 43.02 42.59 1x4i s PHE 32 CO -0.20 0.03 1.12 -1.01 0.70 0.00 0.00 175.22 175.85 1x4i s HIS 33 N -0.70 2.59 0.16 0.36 3.76 -1.26 -1.70 115.29 118.51 1x4i s HIS 33 Ca 0.04 1.55 -0.05 0.00 -0.15 0.00 0.00 55.06 56.45 1x4i s HIS 33 Cb -0.07 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 30.45 1x4i s HIS 33 CO 0.01 -1.73 1.43 1.88 -0.85 0.00 0.00 174.74 175.47 1x4i h TYR 34 N 0.06 0.74 0.00 1.40 -1.99 -1.88 -2.50 116.97 112.79 1x4i h TYR 34 Ca -0.47 -0.30 -0.11 0.00 2.00 0.00 0.00 58.73 59.85 1x4i h TYR 34 Cb 1.25 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.84 1x4i h TYR 34 CO 0.54 1.07 -0.51 0.78 -0.00 0.00 0.00 178.16 180.05 1x4i h GLY 35 N 1.02 0.00 1.25 3.88 0.00 -1.89 0.65 103.07 107.99 1x4i h GLY 35 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.03 1x4i h GLY 35 CO 0.13 0.00 -1.12 0.00 0.00 0.00 0.00 176.54 175.55 1x4i n VAL 37 N -3.82 0.94 -0.82 0.00 0.24 -0.95 -5.02 118.33 108.90 1x4i n VAL 37 Ca -0.12 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1x4i n VAL 37 Cb 0.92 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1x4i n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x4i n GLY 38 N 1.36 0.27 2.58 7.63 0.00 0.18 -5.07 105.19 112.13 1x4i n GLY 38 Ca -0.09 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 1x4i n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4i n LEU 39 N -0.57 1.08 -0.49 0.99 4.77 0.13 -4.95 117.00 117.96 1x4i n LEU 39 Ca 0.00 -4.76 0.43 0.00 -0.03 0.00 0.00 56.01 51.65 1x4i n LEU 39 Cb 0.27 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.08 1x4i n LEU 39 CO 0.00 1.84 1.40 0.71 -1.33 0.00 0.00 177.39 180.01 1x4i h THR 40 N 4.33 0.09 -2.80 -5.08 1.35 -1.98 -3.41 112.91 105.41 1x4i h THR 40 Ca 0.21 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.03 1x4i h THR 40 Cb 0.84 0.11 -0.14 0.00 -1.73 0.00 0.00 68.15 67.22 1x4i h THR 40 CO 0.53 0.00 0.14 -1.83 -0.25 0.00 0.00 175.52 174.11 1x4i s GLU 41 N -4.77 1.16 0.13 4.72 1.03 -1.26 -5.13 118.70 114.59 1x4i s GLU 41 Ca -0.04 -0.30 -0.34 0.00 0.03 0.00 0.00 54.97 54.32 1x4i s GLU 41 Cb 0.23 0.54 -0.17 0.00 -0.80 0.00 0.00 34.13 33.92 1x4i s GLU 41 CO 0.76 -0.46 0.99 0.00 -1.33 0.00 0.00 175.26 175.22 1x4i n ALA 42 N 0.05 -2.05 -2.16 -0.84 0.00 -1.26 -4.84 120.51 109.41 1x4i n ALA 42 Ca -0.18 0.49 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 1x4i n ALA 42 Cb 0.62 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1x4i n ALA 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x4i s PRO 43 N -0.43 4.23 0.14 0.00 0.04 -1.26 -4.93 135.00 132.80 1x4i s PRO 43 Ca 0.76 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 63.60 1x4i s PRO 43 Cb -0.98 -3.77 0.01 0.00 0.04 0.00 0.00 34.50 29.80 1x4i s PRO 43 CO 0.54 -0.71 1.66 0.87 0.04 0.00 0.00 177.00 179.40 1x4i h LYS 44 N 8.58 -0.14 0.00 4.56 6.56 -2.06 -3.44 116.57 130.63 1x4i h LYS 44 Ca -0.36 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 1x4i h LYS 44 Cb 1.16 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1x4i h LYS 44 CO 0.94 -0.09 0.00 0.41 -2.06 0.00 0.00 179.45 178.64 1x4i n GLY 45 N -1.31 1.52 3.74 3.86 0.00 -1.26 -5.05 105.19 106.69 1x4i n GLY 45 Ca -0.01 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1x4i n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4i s LYS 46 N 2.54 4.46 -0.11 1.61 -0.14 -1.26 -5.06 119.74 121.77 1x4i s LYS 46 Ca 0.00 0.98 0.02 0.00 -1.36 0.00 0.00 55.97 55.61 1x4i s LYS 46 Cb 0.00 -3.39 -0.01 0.00 -1.68 0.00 0.00 37.83 32.75 1x4i s LYS 46 CO 0.00 0.21 -0.19 -0.46 -0.76 0.00 0.00 175.35 174.15 1x4i s TRP 47 N 0.25 2.67 -0.14 3.18 -0.00 -1.26 -5.10 118.94 118.54 1x4i s TRP 47 Ca 0.38 -0.89 0.02 0.00 -0.00 0.00 0.00 56.10 55.61 1x4i s TRP 47 Cb -0.19 -1.77 0.01 0.00 -0.00 0.00 0.00 33.47 31.52 1x4i s TRP 47 CO 0.21 -0.34 -0.19 0.71 -0.00 0.00 0.00 176.95 177.34 1x4i s TYR 48 N 0.36 2.48 0.78 5.86 1.51 -1.26 -3.49 117.35 123.59 1x4i s TYR 48 Ca -0.15 -1.29 -0.16 0.00 -1.01 0.00 0.00 57.07 54.46 1x4i s TYR 48 Cb -0.17 -1.72 -0.09 0.00 -0.11 0.00 0.00 41.96 39.87 1x4i s TYR 48 CO 0.07 -0.62 -0.02 0.00 -1.11 0.00 0.00 175.55 173.87 1x4i n PRO 50 N 0.60 0.04 0.05 0.00 -0.04 -1.26 -2.42 135.00 131.97 1x4i n PRO 50 Ca 0.06 0.29 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1x4i n PRO 50 Cb 0.51 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1x4i n PRO 50 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1x4i h GLN 51 N 0.00 0.00 0.00 0.54 4.20 -2.00 -3.25 115.11 114.59 1x4i h GLN 51 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1x4i h GLN 51 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1x4i h GLN 51 CO 0.00 0.87 -0.56 0.00 -0.67 0.00 0.00 178.83 178.47 1x4i h THR 53 N -1.00 0.24 -0.20 0.00 2.02 -1.67 1.05 112.91 113.35 1x4i h THR 53 Ca -0.07 -0.03 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 1x4i h THR 53 Cb 0.61 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1x4i h THR 53 CO -0.04 0.01 -0.63 0.00 0.37 0.00 0.00 175.52 175.23 1x4i h ALA 54 N 1.38 0.50 0.03 6.16 0.00 -1.72 -1.95 119.26 123.67 1x4i h ALA 54 Ca 0.74 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1x4i h ALA 54 Cb 2.66 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 20.40 1x4i h ALA 54 CO -0.15 0.69 -0.63 0.00 0.00 0.00 0.00 179.25 179.16 1x4i h ALA 55 N 0.76 0.04 -0.56 0.00 0.00 0.87 -3.18 119.26 117.19 1x4i h ALA 55 Ca -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1x4i h ALA 55 Cb 1.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1x4i h ALA 55 CO 0.13 0.34 0.24 0.52 0.00 0.00 0.00 179.25 180.48 1x4i h MET 56 N -0.18 0.79 -0.63 0.00 2.86 -0.64 -2.10 114.93 115.04 1x4i h MET 56 Ca -0.09 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1x4i h MET 56 Cb 1.37 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 1x4i h MET 56 CO 0.12 0.64 0.39 0.87 1.06 0.00 0.00 176.91 179.99 1x4i h LYS 57 N 0.79 0.85 -0.47 1.72 1.57 -1.41 -0.94 116.57 118.66 1x4i h LYS 57 Ca 0.19 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1x4i h LYS 57 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1x4i h LYS 57 CO -0.02 0.59 -0.04 0.00 -0.57 0.00 0.00 179.45 179.41 1x4i h ARG 58 N 0.85 0.87 -0.17 3.15 3.08 -1.44 -2.84 114.38 117.88 1x4i h ARG 58 Ca 0.23 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1x4i h ARG 58 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1x4i h ARG 58 CO -0.04 0.93 -0.08 0.00 -1.07 0.00 0.00 179.97 179.71 1x4i h ARG 59 N 0.72 0.26 0.00 0.04 3.08 -1.08 -3.38 114.38 114.02 1x4i h ARG 59 Ca 0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1x4i h ARG 59 Cb 0.57 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1x4i h ARG 59 CO 0.03 0.35 0.00 0.41 -1.07 0.00 0.00 179.97 179.70 1x4i n GLY 60 N -0.98 -0.60 3.77 0.04 0.00 -0.39 -4.38 105.19 102.66 1x4i n GLY 60 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1x4i n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4i s SER 61 N -1.62 6.29 -0.98 1.61 1.04 -1.22 -3.10 113.70 115.71 1x4i s SER 61 Ca 0.00 2.64 -0.06 0.00 0.48 0.00 0.00 55.95 59.01 1x4i s SER 61 Cb 0.00 -2.64 0.01 0.00 0.10 0.00 0.00 66.02 63.49 1x4i s SER 61 CO 0.00 -0.87 0.85 -1.14 0.98 0.00 0.00 173.24 173.07 1x4i n ARG 62 N 0.08 -5.74 -2.25 4.02 0.63 -1.26 -4.72 116.66 107.41 1x4i n ARG 62 Ca 0.04 0.61 -0.33 0.00 -0.92 0.00 0.00 57.85 57.25 1x4i n ARG 62 Cb 0.44 -4.99 -0.04 0.00 0.45 0.00 0.00 32.46 28.32 1x4i n ARG 62 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1x4i s HIS 63 N -3.24 2.24 -0.36 -0.14 -3.43 -1.18 -4.83 115.29 104.34 1x4i s HIS 63 Ca 0.37 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.38 1x4i s HIS 63 Cb -0.16 -4.28 0.12 0.00 -1.43 0.00 0.00 32.58 26.83 1x4i s HIS 63 CO 0.54 -1.45 0.16 0.21 -2.00 0.00 0.00 174.74 172.20 1x4i s LYS 64 N 5.71 0.91 -0.60 -0.38 2.20 -1.26 -5.05 119.74 121.27 1x4i s LYS 64 Ca 0.63 -1.46 0.04 0.00 -0.36 0.00 0.00 55.97 54.82 1x4i s LYS 64 Cb 0.01 -2.04 0.15 0.00 -1.51 0.00 0.00 37.83 34.43 1x4i s LYS 64 CO 0.10 -1.08 0.39 0.45 -0.36 0.00 0.00 175.35 174.85 1x4i s SER 65 N 1.07 4.32 0.00 1.43 0.15 -1.26 -5.09 113.70 114.32 1x4i s SER 65 Ca 0.14 -3.42 0.00 0.00 0.70 0.00 0.00 55.95 53.37 1x4i s SER 65 Cb -0.21 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1x4i s SER 65 CO -0.12 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1x4i n GLY 66 N 2.54 2.18 3.76 9.45 0.00 -1.26 -5.08 105.19 116.78 1x4i n GLY 66 Ca 0.15 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 1x4i n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4i s PRO 67 N 0.51 4.45 -0.55 1.61 0.04 -1.26 -4.99 135.00 134.82 1x4i s PRO 67 Ca 0.00 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 1x4i s PRO 67 Cb 0.00 -3.13 0.07 0.00 0.04 0.00 0.00 34.50 31.48 1x4i s PRO 67 CO 0.00 -0.07 0.73 -1.12 0.04 0.00 0.00 177.00 176.58 1x4i s SER 68 N -0.49 6.22 -0.12 6.66 0.01 -1.26 -5.01 113.70 119.71 1x4i s SER 68 Ca 0.49 -0.99 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 1x4i s SER 68 Cb -0.37 -2.33 0.04 0.00 0.21 0.00 0.00 66.02 63.57 1x4i s SER 68 CO 0.47 -1.06 0.30 -0.94 0.41 0.00 0.00 173.24 172.42 1x4i s SER 69 N 3.07 -0.32 0.00 2.44 1.04 -1.26 -5.36 113.70 113.32 1x4i s SER 69 Ca 0.17 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1x4i s SER 69 Cb -0.19 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1x4i s SER 69 CO 0.11 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.82