#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2u s SER 3 N 0.00 4.54 -0.07 6.15 1.04 -1.26 -4.98 113.70 119.12 2i2u s SER 3 Ca 0.00 0.72 0.13 0.00 0.48 0.00 0.00 55.95 57.27 2i2u s SER 3 Cb 0.00 -1.23 0.49 0.00 0.10 0.00 0.00 66.02 65.38 2i2u s SER 3 CO 0.00 -1.86 1.35 0.18 0.98 0.00 0.00 173.24 173.89 2i2u n LEU 4 N -3.26 3.31 0.00 2.42 4.32 -1.26 -5.02 117.00 117.52 2i2u n LEU 4 Ca 0.08 -1.67 0.00 0.00 -0.02 0.00 0.00 56.01 54.40 2i2u n LEU 4 Cb 0.61 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2i2u n LEU 4 CO 0.56 0.59 0.00 0.29 -1.22 0.00 0.00 177.39 177.61 2i2u n LYS 5 N 0.72 0.00 -2.53 3.23 5.02 -1.26 -2.42 118.16 120.92 2i2u n LYS 5 Ca 0.17 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.23 2i2u n LYS 5 Cb 0.62 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.64 2i2u n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2i2u n LYS 6 N 14.00 2.94 -2.69 1.97 4.76 -1.26 -4.82 118.16 133.06 2i2u n LYS 6 Ca 0.00 -4.25 -0.06 0.00 -2.87 0.00 0.00 58.31 51.13 2i2u n LYS 6 Cb 0.00 -2.04 0.10 0.00 -1.84 0.00 0.00 35.03 31.26 2i2u n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i2u n GLY 7 N -0.38 -0.57 3.56 0.72 0.00 -1.01 -5.12 105.19 102.39 2i2u n GLY 7 Ca 0.33 0.49 -0.48 0.00 0.00 0.00 0.00 46.02 46.36 2i2u n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2i2u n PRO 8 N 0.41 1.68 -1.53 1.61 -0.02 -1.26 -4.80 135.00 131.10 2i2u n PRO 8 Ca -0.01 0.52 -0.38 0.00 -2.02 0.00 0.00 63.50 61.61 2i2u n PRO 8 Cb 0.73 -2.76 -0.08 0.00 -0.02 0.00 0.00 33.50 31.37 2i2u n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2i2u n PHE 9 N 9.47 1.03 0.12 6.00 -0.00 -1.26 -4.73 117.46 128.09 2i2u n PHE 9 Ca 0.32 0.23 -0.01 0.00 -0.00 0.00 0.00 57.45 57.99 2i2u n PHE 9 Cb 0.32 -2.50 -0.01 0.00 -0.00 0.00 0.00 39.48 37.29 2i2u n PHE 9 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2i2u h ILE 10 N 7.83 1.16 -2.32 -2.13 2.04 -1.93 -3.34 117.51 118.81 2i2u h ILE 10 Ca -0.15 -2.59 0.09 0.00 1.00 0.00 0.00 64.86 63.20 2i2u h ILE 10 Cb 1.28 2.54 -0.05 0.00 -0.74 0.00 0.00 36.82 39.86 2i2u h ILE 10 CO 1.26 0.65 -0.70 0.47 0.00 0.00 0.00 178.15 179.84 2i2u n ASP 11 N -3.29 -5.24 -0.03 1.72 9.92 -1.26 -4.64 116.55 113.74 2i2u n ASP 11 Ca 0.01 1.10 -0.02 0.00 -0.53 0.00 0.00 54.79 55.35 2i2u n ASP 11 Cb 0.79 -2.99 -0.07 0.00 -0.64 0.00 0.00 41.12 38.22 2i2u n ASP 11 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2i2u n LEU 12 N -2.70 0.00 -0.25 0.64 -0.00 -1.26 -3.91 117.00 109.51 2i2u n LEU 12 Ca -0.02 0.00 0.22 0.00 -0.00 0.00 0.00 56.01 56.21 2i2u n LEU 12 Cb 0.36 0.15 0.56 0.00 -0.00 0.00 0.00 43.42 44.48 2i2u n LEU 12 CO 0.01 0.15 1.23 0.45 -0.00 0.00 0.00 177.39 179.23 2i2u h HIS 13 N 0.00 0.45 0.00 1.96 3.86 -2.02 -2.86 115.15 116.54 2i2u h HIS 13 Ca -0.16 0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 58.85 2i2u h HIS 13 Cb 1.21 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.51 2i2u h HIS 13 CO 0.00 0.10 -1.78 1.47 0.86 0.00 0.00 177.93 178.58 2i2u n LEU 14 N -4.48 0.01 -0.28 2.43 -0.00 -1.26 -4.52 117.00 108.90 2i2u n LEU 14 Ca 0.21 -0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.27 2i2u n LEU 14 Cb 0.81 0.28 0.16 0.00 -0.00 0.00 0.00 43.42 44.66 2i2u n LEU 14 CO 0.31 0.28 0.78 0.25 -0.00 0.00 0.00 177.39 179.01 2i2u h LEU 15 N 0.00 -0.50 -1.82 1.47 6.46 -1.62 1.71 115.31 121.01 2i2u h LEU 15 Ca -0.31 0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 2i2u h LEU 15 Cb 1.70 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 42.04 2i2u h LEU 15 CO 0.02 -0.23 -0.12 0.11 -0.62 0.00 0.00 178.44 177.59 2i2u h LYS 16 N 0.05 0.00 0.00 1.25 1.57 -1.80 -1.36 116.57 116.29 2i2u h LYS 16 Ca 0.43 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 2i2u h LYS 16 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2i2u h LYS 16 CO -0.76 0.12 -0.06 0.87 -0.57 0.00 0.00 179.45 179.05 2i2u h LYS 17 N 0.00 0.00 -0.82 3.15 1.79 0.21 -3.01 116.57 117.88 2i2u h LYS 17 Ca -0.00 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2i2u h LYS 17 Cb 0.23 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 2i2u h LYS 17 CO 0.02 0.67 0.54 -0.24 -1.08 0.00 0.00 179.45 179.35 2i2u h VAL 18 N -1.00 1.16 0.00 0.50 3.04 -0.08 0.15 116.25 120.01 2i2u h VAL 18 Ca -0.02 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2i2u h VAL 18 Cb 0.69 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 2i2u h VAL 18 CO -0.01 0.19 0.00 -0.62 -1.01 0.00 0.00 177.57 176.12 2i2u n GLU 19 N -4.55 0.01 0.08 4.17 4.71 -0.52 -2.40 120.64 122.14 2i2u n GLU 19 Ca 0.09 0.21 -0.20 0.00 -0.01 0.00 0.00 57.16 57.25 2i2u n GLU 19 Cb 0.06 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 28.84 2i2u n GLU 19 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2i2u h LYS 20 N 0.00 0.35 -0.63 3.49 3.11 -0.58 -3.30 116.57 119.01 2i2u h LYS 20 Ca 0.00 -0.60 0.00 0.00 -2.81 0.00 0.00 60.65 57.24 2i2u h LYS 20 Cb 0.28 0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 2i2u h LYS 20 CO 0.00 1.25 0.00 0.00 -2.81 0.00 0.00 179.45 177.89 2i2u n ALA 21 N -2.74 1.93 -1.00 5.00 0.00 -0.85 -4.38 120.51 118.46 2i2u n ALA 21 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2i2u n ALA 21 Cb 1.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2i2u n ALA 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2i2u n VAL 22 N 0.20 0.00 0.20 0.00 0.24 -1.24 -0.31 118.33 117.42 2i2u n VAL 22 Ca 0.00 0.07 0.14 0.00 -2.04 0.00 0.00 64.34 62.51 2i2u n VAL 22 Cb 0.16 -0.97 0.73 0.00 -1.47 0.00 0.00 33.84 32.29 2i2u n VAL 22 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2i2u h GLU 23 N 0.00 0.00 0.00 7.34 3.07 -1.91 0.34 114.58 123.43 2i2u h GLU 23 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2i2u h GLU 23 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2i2u h GLU 23 CO 0.00 0.00 0.00 0.77 -1.40 0.00 0.00 179.01 178.38 2i2u h SER 24 N 0.00 0.00 0.00 1.42 0.02 -1.76 -3.49 113.55 109.74 2i2u h SER 24 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2i2u h SER 24 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2i2u h SER 24 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2i2u n GLY 25 N 0.75 0.91 3.73 -3.77 0.00 0.12 -4.54 105.19 102.39 2i2u n GLY 25 Ca 0.03 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2i2u n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i2u s ASP 26 N -4.00 6.41 0.00 1.61 1.11 -1.26 -4.71 116.67 115.83 2i2u s ASP 26 Ca 0.00 2.85 0.00 0.00 0.18 0.00 0.00 52.55 55.58 2i2u s ASP 26 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 2i2u s ASP 26 CO 0.00 -0.93 0.00 2.29 1.18 0.00 0.00 175.17 177.71 2i2u n LYS 27 N 3.42 0.34 -1.41 8.23 2.85 -1.26 -5.07 118.16 125.26 2i2u n LYS 27 Ca 0.13 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.03 2i2u n LYS 27 Cb 0.36 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.83 2i2u n LYS 27 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2i2u n LYS 28 N 0.00 0.59 -1.67 -1.58 0.00 -1.26 -4.63 118.16 109.61 2i2u n LYS 28 Ca 0.00 0.26 -0.42 0.00 -0.00 0.00 0.00 58.31 58.14 2i2u n LYS 28 Cb 0.00 -2.24 -0.03 0.00 -0.00 0.00 0.00 35.03 32.76 2i2u n LYS 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2i2u s PRO 29 N -3.27 3.69 -0.33 -1.58 0.04 -1.25 -4.80 135.00 127.51 2i2u s PRO 29 Ca 0.74 2.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.82 2i2u s PRO 29 Cb -0.36 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 29.89 2i2u s PRO 29 CO 0.49 -1.46 2.23 -0.51 0.04 0.00 0.00 177.00 177.79 2i2u s LEU 30 N 6.13 3.43 -0.83 -3.56 1.02 0.12 -4.40 118.68 120.58 2i2u s LEU 30 Ca 0.93 1.53 -0.23 0.00 0.02 0.00 0.00 54.13 56.37 2i2u s LEU 30 Cb -0.38 -3.16 -0.18 0.00 0.02 0.00 0.00 46.19 42.50 2i2u s LEU 30 CO 0.38 -2.25 2.37 0.54 0.02 0.00 0.00 176.35 177.41 2i2u n ARG 31 N 8.83 0.46 -2.20 1.70 1.74 -1.26 -0.28 116.66 125.65 2i2u n ARG 31 Ca 0.31 -0.70 -0.26 0.00 -0.77 0.00 0.00 57.85 56.43 2i2u n ARG 31 Cb 0.48 -3.22 0.07 0.00 -1.02 0.00 0.00 32.46 28.78 2i2u n ARG 31 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2i2u s THR 32 N 12.21 2.26 0.00 0.55 2.01 0.31 -4.95 115.64 128.03 2i2u s THR 32 Ca 1.00 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.73 2i2u s THR 32 Cb -0.26 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.26 2i2u s THR 32 CO 0.17 0.00 0.00 0.79 -0.69 0.00 0.00 174.62 174.89 2i2u n TRP 33 N -2.95 -0.59 -1.49 4.92 8.01 -1.26 -3.40 117.44 120.68 2i2u n TRP 33 Ca 0.08 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.87 2i2u n TRP 33 Cb 0.60 0.26 -0.02 0.00 -2.01 0.00 0.00 31.31 30.14 2i2u n TRP 33 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2i2u n SER 34 N -2.01 5.64 0.31 -0.99 7.64 -1.26 -4.68 113.62 118.27 2i2u n SER 34 Ca 0.00 -2.71 0.14 0.00 1.01 0.00 0.00 58.87 57.32 2i2u n SER 34 Cb 0.00 -1.56 0.74 0.00 -1.01 0.00 0.00 64.21 62.38 2i2u n SER 34 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2i2u h ARG 35 N 5.77 0.00 0.00 1.43 0.11 -1.92 0.00 114.38 119.77 2i2u h ARG 35 Ca 0.67 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.75 2i2u h ARG 35 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2i2u h ARG 35 CO 1.84 0.00 0.00 0.54 0.10 0.00 0.00 179.97 182.45 2i2u n ARG 36 N -2.92 0.21 -2.53 0.08 3.00 -1.26 -0.83 116.66 112.41 2i2u n ARG 36 Ca -0.01 0.06 -0.36 0.00 -0.01 0.00 0.00 57.85 57.53 2i2u n ARG 36 Cb 0.46 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.38 2i2u n ARG 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2i2u s SER 37 N -2.15 6.71 0.87 0.55 0.15 -0.02 -4.77 113.70 115.04 2i2u s SER 37 Ca 0.11 2.04 -0.05 0.00 0.70 0.00 0.00 55.95 58.74 2i2u s SER 37 Cb 0.05 -2.58 0.09 0.00 -1.71 0.00 0.00 66.02 61.87 2i2u s SER 37 CO 0.10 -0.53 0.57 0.41 1.20 0.00 0.00 173.24 174.99 2i2u n THR 38 N -0.15 0.00 -5.24 6.45 -1.04 -1.25 -2.07 114.28 110.98 2i2u n THR 38 Ca 0.05 -0.53 -0.31 0.00 -2.04 0.00 0.00 64.05 61.22 2i2u n THR 38 Cb 0.50 -1.60 -0.16 0.00 -1.82 0.00 0.00 70.33 67.25 2i2u n THR 38 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2i2u s ILE 39 N -2.04 2.01 0.27 12.58 -1.09 -0.42 -4.80 121.20 127.71 2i2u s ILE 39 Ca 0.34 -1.05 0.05 0.00 -2.23 0.00 0.00 60.65 57.75 2i2u s ILE 39 Cb -0.01 -1.69 -0.06 0.00 -1.58 0.00 0.00 42.46 39.12 2i2u s ILE 39 CO 0.23 0.56 -0.01 -0.36 -1.23 0.00 0.00 174.94 174.14 2i2u s PHE 40 N -0.21 1.80 0.29 3.97 0.08 -1.26 -4.17 117.98 118.48 2i2u s PHE 40 Ca -0.02 -0.86 0.04 0.00 0.12 0.00 0.00 56.93 56.22 2i2u s PHE 40 Cb -0.13 -1.08 0.70 0.00 -0.57 0.00 0.00 43.02 41.94 2i2u s PHE 40 CO 0.03 0.08 1.75 -1.35 -0.10 0.00 0.00 175.22 175.63 2i2u h PRO 41 N 2.31 0.62 0.00 0.24 0.11 -1.97 0.60 132.00 133.90 2i2u h PRO 41 Ca -0.39 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2i2u h PRO 41 Cb 1.23 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2i2u h PRO 41 CO 0.67 0.41 -0.00 -2.95 -0.21 0.00 0.00 178.00 175.91 2i2u h ASN 42 N 0.64 0.00 0.05 -2.05 7.08 -1.98 -2.65 115.58 116.67 2i2u h ASN 42 Ca 0.55 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 53.44 2i2u h ASN 42 Cb 0.90 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.11 2i2u h ASN 42 CO -0.42 0.00 -1.84 0.23 -2.08 0.00 0.00 177.43 173.33 2i2u n MET 43 N -3.11 0.65 -1.35 4.14 2.81 0.19 -4.85 117.12 115.59 2i2u n MET 43 Ca -0.02 0.37 -0.43 0.00 -1.81 0.00 0.00 57.70 55.81 2i2u n MET 43 Cb 0.13 -1.68 -0.00 0.00 -0.71 0.00 0.00 33.22 30.96 2i2u n MET 43 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2i2u n ILE 44 N -3.92 1.14 -3.38 2.02 5.41 0.08 -2.37 119.36 118.33 2i2u n ILE 44 Ca -0.37 -0.50 -0.19 0.00 1.00 0.00 0.00 62.75 62.69 2i2u n ILE 44 Cb 0.88 -0.14 0.07 0.00 -0.71 0.00 0.00 39.64 39.74 2i2u n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2i2u n GLY 45 N 2.14 -0.26 3.18 7.39 0.00 0.12 -4.93 105.19 112.83 2i2u n GLY 45 Ca 0.12 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2i2u n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i2u s LEU 46 N -6.08 2.44 -1.04 0.99 2.01 -1.00 -4.67 118.68 111.33 2i2u s LEU 46 Ca 0.45 -1.03 -0.14 0.00 0.01 0.00 0.00 54.13 53.42 2i2u s LEU 46 Cb -0.20 -0.05 0.19 0.00 0.01 0.00 0.00 46.19 46.15 2i2u s LEU 46 CO 0.59 -0.49 1.16 0.42 1.01 0.00 0.00 176.35 179.04 2i2u s THR 47 N -3.65 5.27 -0.41 5.49 -4.23 -1.26 -3.80 115.64 113.05 2i2u s THR 47 Ca 0.14 -2.50 -0.24 0.00 -1.18 0.00 0.00 61.69 57.91 2i2u s THR 47 Cb 0.06 -4.73 0.02 0.00 1.34 0.00 0.00 72.50 69.19 2i2u s THR 47 CO -0.04 -1.39 0.84 -0.63 -0.54 0.00 0.00 174.62 172.86 2i2u s ILE 48 N 0.99 4.63 -1.27 2.99 1.01 -1.25 0.12 121.20 128.41 2i2u s ILE 48 Ca 0.33 0.76 -0.14 0.00 0.00 0.00 0.00 60.65 61.60 2i2u s ILE 48 Cb -0.06 -4.31 0.13 0.00 0.01 0.00 0.00 42.46 38.23 2i2u s ILE 48 CO -0.06 -0.62 1.66 0.00 0.00 0.00 0.00 174.94 175.92 2i2u n ALA 49 N 6.73 4.19 -1.77 9.38 0.00 0.61 -3.26 120.51 136.39 2i2u n ALA 49 Ca 0.04 -4.12 -0.39 0.00 0.00 0.00 0.00 53.44 48.97 2i2u n ALA 49 Cb 0.48 -3.23 -0.02 0.00 0.00 0.00 0.00 19.45 16.68 2i2u n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i2u s VAL 50 N 2.20 3.02 0.17 0.00 1.01 -0.95 0.11 120.40 125.97 2i2u s VAL 50 Ca 0.46 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.06 2i2u s VAL 50 Cb 0.03 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 2i2u s VAL 50 CO 0.02 0.13 0.92 -2.28 0.00 0.00 0.00 175.10 173.88 2i2u s HIS 51 N -1.31 3.90 -0.14 5.22 2.46 -1.22 0.68 115.29 124.88 2i2u s HIS 51 Ca 0.54 1.81 -0.05 0.00 0.47 0.00 0.00 55.06 57.83 2i2u s HIS 51 Cb -0.34 -2.97 -0.07 0.00 -0.13 0.00 0.00 32.58 29.08 2i2u s HIS 51 CO 0.43 0.36 -0.16 -1.71 -2.47 0.00 0.00 174.74 171.19 2i2u n ASN 52 N 2.07 1.48 0.00 9.88 2.85 -0.97 -4.89 115.26 125.68 2i2u n ASN 52 Ca -0.01 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 2i2u n ASN 52 Cb 0.48 -0.36 0.00 0.00 1.24 0.00 0.00 39.78 41.14 2i2u n ASN 52 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2i2u n GLY 53 N 2.31 1.15 0.03 8.20 0.00 -1.26 -4.91 105.19 110.70 2i2u n GLY 53 Ca -0.26 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.78 2i2u n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2u n ARG 54 N 0.00 0.79 -3.58 1.61 1.74 -1.26 -5.05 116.66 110.91 2i2u n ARG 54 Ca 0.00 -0.11 -0.06 0.00 -0.77 0.00 0.00 57.85 56.91 2i2u n ARG 54 Cb 0.00 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 2i2u n ARG 54 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2i2u s GLN 55 N -2.96 0.75 0.77 5.56 -1.52 -1.26 -5.17 119.66 115.84 2i2u s GLN 55 Ca -0.07 -0.33 -0.11 0.00 -1.95 0.00 0.00 55.36 52.90 2i2u s GLN 55 Cb 0.09 0.31 0.05 0.00 -0.22 0.00 0.00 33.01 33.25 2i2u s GLN 55 CO 0.71 -0.34 1.09 -1.01 -0.25 0.00 0.00 175.29 175.49 2i2u s HIS 56 N -2.95 2.90 -0.04 0.91 3.76 -1.26 -2.30 115.29 116.32 2i2u s HIS 56 Ca 0.08 1.23 0.01 0.00 -0.15 0.00 0.00 55.06 56.24 2i2u s HIS 56 Cb -0.01 -3.05 0.02 0.00 1.11 0.00 0.00 32.58 30.65 2i2u s HIS 56 CO -0.05 -1.63 -0.05 0.14 -0.85 0.00 0.00 174.74 172.30 2i2u s VAL 57 N -3.12 0.56 0.55 -0.90 -7.23 0.21 -4.86 120.40 105.62 2i2u s VAL 57 Ca 0.60 -0.15 -0.19 0.00 -1.81 0.00 0.00 61.98 60.44 2i2u s VAL 57 Cb -0.14 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 2i2u s VAL 57 CO 0.54 0.23 1.12 -2.16 -0.31 0.00 0.00 175.10 174.52 2i2u s PRO 58 N 0.86 3.31 -0.28 4.82 0.04 -1.26 -2.24 135.00 140.25 2i2u s PRO 58 Ca -0.12 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.50 2i2u s PRO 58 Cb -0.14 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.56 2i2u s PRO 58 CO 0.01 -0.87 0.47 0.14 0.04 0.00 0.00 177.00 176.78 2i2u s VAL 59 N -1.86 -0.77 -1.09 -0.36 -7.23 -1.20 -4.97 120.40 102.93 2i2u s VAL 59 Ca 0.72 -0.13 -0.16 0.00 -1.81 0.00 0.00 61.98 60.60 2i2u s VAL 59 Cb -0.23 -0.95 -0.07 0.00 0.56 0.00 0.00 36.38 35.69 2i2u s VAL 59 CO 0.28 -0.14 2.14 0.33 -0.31 0.00 0.00 175.10 177.40 2i2u n PHE 60 N 5.38 2.42 -1.24 2.82 7.35 -1.26 -3.79 117.46 129.13 2i2u n PHE 60 Ca 0.00 -2.33 -0.40 0.00 -0.76 0.00 0.00 57.45 53.96 2i2u n PHE 60 Cb 0.51 -2.05 -0.00 0.00 0.35 0.00 0.00 39.48 38.28 2i2u n PHE 60 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 2i2u n VAL 61 N 5.27 0.63 -3.93 -2.13 0.24 -1.25 -4.65 118.33 112.51 2i2u n VAL 61 Ca 0.52 -0.48 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 2i2u n VAL 61 Cb 0.35 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2i2u n VAL 61 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2i2u s THR 62 N -1.60 0.00 0.53 3.34 -1.32 -1.26 0.15 115.64 115.48 2i2u s THR 62 Ca 0.57 -1.27 0.19 0.00 -1.21 0.00 0.00 61.69 59.97 2i2u s THR 62 Cb -0.61 -2.80 0.30 0.00 -1.51 0.00 0.00 72.50 67.88 2i2u s THR 62 CO 0.60 0.00 2.13 -0.78 -2.21 0.00 0.00 174.62 174.36 2i2u h ASP 63 N 2.04 0.00 0.44 8.08 -0.00 -1.98 -0.45 116.42 124.55 2i2u h ASP 63 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.72 2i2u h ASP 63 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 2i2u h ASP 63 CO 0.40 0.00 0.00 -1.84 -0.00 0.00 0.00 179.24 177.80 2i2u n GLU 64 N -4.41 0.30 -2.59 0.28 0.28 -1.26 -3.19 120.64 110.04 2i2u n GLU 64 Ca -0.00 0.08 -0.10 0.00 -0.16 0.00 0.00 57.16 56.98 2i2u n GLU 64 Cb 0.19 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.60 2i2u n GLU 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i2u n MET 65 N -1.30 2.17 0.00 3.44 0.00 -0.18 -4.94 117.12 116.31 2i2u n MET 65 Ca 0.10 -3.69 0.00 0.00 0.00 0.00 0.00 57.70 54.11 2i2u n MET 65 Cb 0.18 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 31.67 2i2u n MET 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2i2u n VAL 66 N -0.49 0.00 0.00 3.17 0.31 -1.19 -4.12 118.33 116.01 2i2u n VAL 66 Ca 0.19 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 2i2u n VAL 66 Cb 0.83 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 2i2u n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i2u n GLY 67 N 2.23 -0.31 3.90 2.92 0.00 -1.26 -1.72 105.19 110.95 2i2u n GLY 67 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2i2u n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i2u s HIS 68 N -2.61 3.17 0.00 1.61 4.02 -1.26 -4.74 115.29 115.47 2i2u s HIS 68 Ca 0.00 0.78 0.00 0.00 1.02 0.00 0.00 55.06 56.86 2i2u s HIS 68 Cb 0.00 -3.08 0.00 0.00 -1.02 0.00 0.00 32.58 28.48 2i2u s HIS 68 CO 0.00 -1.23 0.00 1.63 1.02 0.00 0.00 174.74 176.16 2i2u n LYS 69 N -2.93 3.46 -0.03 1.40 4.76 -1.26 -1.30 118.16 122.25 2i2u n LYS 69 Ca 0.07 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.43 2i2u n LYS 69 Cb 0.59 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.75 2i2u n LYS 69 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2i2u n LEU 70 N 0.00 0.72 -0.30 -0.35 4.77 -0.01 -4.61 117.00 117.23 2i2u n LEU 70 Ca 0.00 0.12 0.09 0.00 -0.03 0.00 0.00 56.01 56.18 2i2u n LEU 70 Cb 0.00 -0.28 0.25 0.00 -2.33 0.00 0.00 43.42 41.06 2i2u n LEU 70 CO 0.00 0.01 1.09 1.23 -1.33 0.00 0.00 177.39 178.39 2i2u h GLY 71 N -0.29 1.43 1.61 -0.72 0.00 -1.75 0.32 103.07 103.67 2i2u h GLY 71 Ca -0.16 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2i2u h GLY 71 CO -0.10 -0.09 0.16 1.05 0.00 0.00 0.00 176.54 177.56 2i2u h GLU 72 N 0.58 0.00 -0.49 4.80 -0.00 -1.86 0.86 114.58 118.47 2i2u h GLU 72 Ca 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.80 2i2u h GLU 72 Cb 0.75 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.47 2i2u h GLU 72 CO -0.40 0.00 0.05 1.19 -0.00 0.00 0.00 179.01 179.85 2i2u n PHE 73 N -2.42 1.72 -4.15 2.06 3.01 0.11 -4.95 117.46 112.84 2i2u n PHE 73 Ca -0.02 -0.90 -0.15 0.00 1.01 0.00 0.00 57.45 57.39 2i2u n PHE 73 Cb 0.20 -0.48 -0.11 0.00 -0.01 0.00 0.00 39.48 39.08 2i2u n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2i2u s ALA 74 N -2.86 1.02 0.76 4.37 0.00 0.30 -4.96 121.76 120.39 2i2u s ALA 74 Ca 0.50 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 2i2u s ALA 74 Cb 0.40 0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.57 2i2u s ALA 74 CO 0.12 0.02 1.23 -1.25 0.00 0.00 0.00 175.76 175.88 2i2u s PRO 75 N -2.30 1.93 -0.07 0.00 0.04 -1.26 -4.97 135.00 128.37 2i2u s PRO 75 Ca 0.01 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 2i2u s PRO 75 Cb -0.06 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2i2u s PRO 75 CO 0.01 -2.01 -0.15 0.25 0.04 0.00 0.00 177.00 175.14 2i2u n THR 76 N -2.86 0.69 -3.66 1.26 -2.24 -1.26 -4.93 114.28 101.28 2i2u n THR 76 Ca 0.14 0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 62.18 2i2u n THR 76 Cb 0.50 -1.83 -0.07 0.00 -2.10 0.00 0.00 70.33 66.82 2i2u n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i2u s ARG 77 N -1.85 0.44 0.05 -0.78 1.70 -1.26 -5.04 118.95 112.20 2i2u s ARG 77 Ca -0.12 1.19 -0.34 0.00 -0.47 0.00 0.00 55.73 55.99 2i2u s ARG 77 Cb 0.02 0.51 -0.18 0.00 -0.57 0.00 0.00 34.95 34.73 2i2u s ARG 77 CO 0.18 -0.22 0.84 2.41 -1.08 0.00 0.00 175.30 177.43 2i2u n THR 78 N 5.31 0.49 -3.30 4.99 -1.04 -1.26 -4.97 114.28 114.49 2i2u n THR 78 Ca -0.11 -0.12 -0.06 0.00 -2.04 0.00 0.00 64.05 61.71 2i2u n THR 78 Cb 0.50 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.95 2i2u n THR 78 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2i2u s TYR 79 N -0.24 -1.01 0.00 -1.42 5.04 -1.26 -5.31 117.35 113.15 2i2u s TYR 79 Ca 0.77 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 2i2u s TYR 79 Cb -1.08 0.10 0.00 0.00 0.35 0.00 0.00 41.96 41.33 2i2u s TYR 79 CO 0.52 -0.79 0.00 0.54 -1.34 0.00 0.00 175.55 174.48