#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4r s SER -2 N 0.00 -0.51 -0.09 0.26 0.15 -1.25 -5.02 113.70 107.23 2i4r s SER -2 Ca 0.00 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.07 2i4r s SER -2 Cb 0.00 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 2i4r s SER -2 CO 0.00 -0.65 -0.12 -1.00 1.20 0.00 0.00 173.24 172.68 2i4r s HIS -1 N -1.78 1.57 -0.07 3.44 0.09 -1.22 -3.74 115.29 113.58 2i4r s HIS -1 Ca -0.09 -0.67 -0.03 0.00 -0.00 0.00 0.00 55.06 54.27 2i4r s HIS -1 Cb -0.01 -1.19 0.04 0.00 -0.00 0.00 0.00 32.58 31.43 2i4r s HIS -1 CO 0.04 -0.38 0.14 -1.17 -0.00 0.00 0.00 174.74 173.37 2i4r s LEU 4 N 0.99 0.17 0.14 0.89 2.96 -1.26 -4.16 118.68 118.41 2i4r s LEU 4 Ca -0.08 0.28 0.09 0.00 -0.22 0.00 0.00 54.13 54.20 2i4r s LEU 4 Cb -0.15 0.22 -0.04 0.00 0.50 0.00 0.00 46.19 46.72 2i4r s LEU 4 CO -0.00 -0.22 -0.15 0.00 -1.32 0.00 0.00 176.35 174.65 2i4r s ALA 5 N 1.99 2.77 0.01 5.97 0.00 0.86 -4.42 121.76 128.94 2i4r s ALA 5 Ca 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.62 2i4r s ALA 5 Cb -0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2i4r s ALA 5 CO -0.05 0.55 -0.17 0.08 0.00 0.00 0.00 175.76 176.16 2i4r s VAL 6 N -1.35 1.38 -0.10 0.00 1.01 -0.99 -0.36 120.40 119.99 2i4r s VAL 6 Ca 0.20 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2i4r s VAL 6 Cb -0.10 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.13 2i4r s VAL 6 CO 0.12 0.26 -0.07 -0.69 0.00 0.00 0.00 175.10 174.73 2i4r s VAL 7 N -0.58 0.89 0.00 2.92 1.01 -0.52 -0.04 120.40 124.07 2i4r s VAL 7 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2i4r s VAL 7 Cb -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2i4r s VAL 7 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2i4r n GLY 8 N 4.78 -0.25 3.72 4.51 0.00 -1.01 -4.27 105.19 112.67 2i4r n GLY 8 Ca -0.14 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 2i4r n GLY 8 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i4r s ASP 9 N 0.00 3.96 0.45 1.61 -4.77 -1.04 -1.00 116.67 115.88 2i4r s ASP 9 Ca 0.00 2.18 0.24 0.00 -3.30 0.00 0.00 52.55 51.67 2i4r s ASP 9 Cb 0.00 -2.57 1.25 0.00 -1.09 0.00 0.00 42.92 40.52 2i4r s ASP 9 CO 0.00 -2.41 1.79 1.55 0.70 0.00 0.00 175.17 176.80 2i4r h PRO 10 N -0.88 0.25 -0.09 2.11 0.13 -1.96 0.18 132.00 131.74 2i4r h PRO 10 Ca -0.45 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2i4r h PRO 10 Cb 1.27 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2i4r h PRO 10 CO 0.48 0.16 -0.42 -0.44 -0.23 0.00 0.00 178.00 177.55 2i4r h ASP 11 N 0.26 0.22 0.93 1.44 5.19 -1.97 -2.75 116.42 119.74 2i4r h ASP 11 Ca 0.56 -0.09 -0.22 0.00 -0.62 0.00 0.00 57.03 56.66 2i4r h ASP 11 Cb 1.70 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 41.12 2i4r h ASP 11 CO -0.19 0.62 -1.07 0.15 -3.12 0.00 0.00 179.24 175.63 2i4r h PHE 12 N 0.17 0.05 0.14 4.55 3.04 -1.02 -3.37 116.94 120.50 2i4r h PHE 12 Ca 0.01 -0.03 -0.29 0.00 3.98 0.00 0.00 57.97 61.64 2i4r h PHE 12 Cb 0.82 -0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.35 2i4r h PHE 12 CO 0.01 1.03 -1.26 1.79 -2.02 0.00 0.00 178.31 177.86 2i4r h THR 13 N 0.01 1.36 -0.71 4.41 1.35 -1.17 -3.38 112.91 114.78 2i4r h THR 13 Ca -0.04 -2.69 0.16 0.00 -0.55 0.00 0.00 66.41 63.29 2i4r h THR 13 Cb 1.81 2.81 -0.12 0.00 -1.73 0.00 0.00 68.15 70.91 2i4r h THR 13 CO 0.13 0.80 0.01 0.16 -0.25 0.00 0.00 175.52 176.37 2i4r h ILE 14 N 0.18 0.39 -0.89 6.82 3.07 -1.66 -0.30 117.51 125.12 2i4r h ILE 14 Ca -0.17 -0.04 0.17 0.00 1.55 0.00 0.00 64.86 66.37 2i4r h ILE 14 Cb 1.94 0.27 -0.07 0.00 -0.27 0.00 0.00 36.82 38.69 2i4r h ILE 14 CO 0.23 0.02 0.58 1.23 -1.05 0.00 0.00 178.15 179.16 2i4r h GLY 15 N 0.11 1.11 -1.74 0.16 0.00 -1.80 -0.99 103.07 99.92 2i4r h GLY 15 Ca 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2i4r h GLY 15 CO -0.62 0.04 0.00 0.69 0.00 0.00 0.00 176.54 176.65 2i4r n PHE 16 N -4.56 0.00 0.00 5.60 3.01 -0.13 -2.83 117.46 118.56 2i4r n PHE 16 Ca 0.18 -0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.29 2i4r n PHE 16 Cb 0.56 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 2i4r n PHE 16 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2i4r n LEU 18 N 0.40 0.00 -0.18 4.37 4.77 -0.38 -0.16 117.00 125.82 2i4r n LEU 18 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2i4r n LEU 18 Cb 0.41 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 2i4r n LEU 18 CO 0.00 0.00 0.61 0.00 -1.33 0.00 0.00 177.39 176.67 2i4r n ALA 19 N 0.00 2.51 -0.82 -1.18 0.00 -1.13 -4.88 120.51 115.01 2i4r n ALA 19 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2i4r n ALA 19 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2i4r n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4r n GLY 20 N 0.72 0.53 3.37 0.00 0.00 -1.03 -5.02 105.19 103.76 2i4r n GLY 20 Ca 0.06 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 2i4r n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4r s ILE 21 N -2.00 5.11 -2.27 -0.61 1.01 0.78 -4.90 121.20 118.32 2i4r s ILE 21 Ca 0.00 -1.70 0.22 0.00 0.00 0.00 0.00 60.65 59.17 2i4r s ILE 21 Cb 0.00 -4.54 0.50 0.00 0.01 0.00 0.00 42.46 38.42 2i4r s ILE 21 CO 0.00 -1.17 1.62 -1.54 0.00 0.00 0.00 174.94 173.85 2i4r n SER 22 N 5.46 1.37 -2.97 3.58 3.41 -1.26 -4.30 113.62 118.91 2i4r n SER 22 Ca 0.07 -1.61 -0.38 0.00 -0.26 0.00 0.00 58.87 56.68 2i4r n SER 22 Cb 0.46 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.35 2i4r n SER 22 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2i4r n ASP 23 N 0.11 7.36 -4.81 4.04 4.64 -1.26 -4.98 116.55 121.66 2i4r n ASP 23 Ca 0.17 -3.70 -0.33 0.00 -1.38 0.00 0.00 54.79 49.55 2i4r n ASP 23 Cb 0.29 -1.12 -0.06 0.00 -1.04 0.00 0.00 41.12 39.19 2i4r n ASP 23 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 2i4r s ILE 24 N -4.41 4.86 -0.35 5.18 -1.16 -1.26 -2.34 121.20 121.72 2i4r s ILE 24 Ca 0.51 -0.41 -0.04 0.00 -0.51 0.00 0.00 60.65 60.21 2i4r s ILE 24 Cb 0.39 -3.25 0.07 0.00 0.61 0.00 0.00 42.46 40.27 2i4r s ILE 24 CO -0.34 0.31 0.11 -0.31 -2.81 0.00 0.00 174.94 171.90 2i4r s TYR 25 N -1.26 3.36 0.11 3.50 2.02 0.94 -4.93 117.35 121.09 2i4r s TYR 25 Ca 0.25 -1.90 -0.31 0.00 -0.37 0.00 0.00 57.07 54.74 2i4r s TYR 25 Cb -0.12 -2.54 -0.08 0.00 -0.40 0.00 0.00 41.96 38.82 2i4r s TYR 25 CO 0.16 -0.84 1.35 -1.21 -1.57 0.00 0.00 175.55 173.44 2i4r s GLU 26 N 1.27 4.34 -0.02 -0.62 0.41 -1.26 -2.40 118.70 120.42 2i4r s GLU 26 Ca 0.00 2.02 -0.08 0.00 -0.41 0.00 0.00 54.97 56.50 2i4r s GLU 26 Cb -0.21 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 28.89 2i4r s GLU 26 CO -0.01 -0.39 0.17 0.08 -0.49 0.00 0.00 175.26 174.62 2i4r s VAL 27 N 1.04 0.05 0.10 2.63 1.01 -0.17 -4.89 120.40 120.17 2i4r s VAL 27 Ca 0.63 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2i4r s VAL 27 Cb -0.35 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2i4r s VAL 27 CO 0.30 -0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.52 2i4r n THR 28 N 1.96 0.00 -1.70 3.92 -2.24 -1.26 -2.49 114.28 112.48 2i4r n THR 28 Ca -0.19 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.15 2i4r n THR 28 Cb 0.57 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 2i4r n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2i4r n SER 29 N -2.79 3.17 -0.34 3.42 7.64 -1.26 -4.79 113.62 118.67 2i4r n SER 29 Ca 0.00 1.14 0.20 0.00 1.01 0.00 0.00 58.87 61.22 2i4r n SER 29 Cb 0.00 -1.49 0.43 0.00 -1.01 0.00 0.00 64.21 62.14 2i4r n SER 29 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2i4r h ASP 30 N 4.51 0.59 0.05 6.43 5.19 -2.00 0.59 116.42 131.78 2i4r h ASP 30 Ca -0.46 0.14 -0.10 0.00 -0.62 0.00 0.00 57.03 55.99 2i4r h ASP 30 Cb 1.26 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 2i4r h ASP 30 CO 0.78 0.05 -0.31 -0.08 -3.12 0.00 0.00 179.24 176.55 2i4r h GLU 31 N 0.48 0.39 -0.04 3.56 4.81 -1.96 -2.76 114.58 119.05 2i4r h GLU 31 Ca 0.66 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.60 2i4r h GLU 31 Cb 1.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 2i4r h GLU 31 CO -0.47 0.66 -0.57 0.93 -0.73 0.00 0.00 179.01 178.83 2i4r h GLU 32 N 0.34 0.14 0.16 1.92 5.08 -0.21 -2.04 114.58 119.98 2i4r h GLU 32 Ca 0.04 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2i4r h GLU 32 Cb 0.71 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2i4r h GLU 32 CO 0.05 0.68 -0.08 0.82 -1.00 0.00 0.00 179.01 179.48 2i4r h ILE 33 N 0.11 0.95 -0.79 3.13 2.04 -0.97 -2.13 117.51 119.84 2i4r h ILE 33 Ca -0.00 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2i4r h ILE 33 Cb 1.04 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 2i4r h ILE 33 CO 0.08 0.12 0.40 0.58 0.00 0.00 0.00 178.15 179.34 2i4r h VAL 34 N -0.48 1.24 -0.17 1.67 2.07 -1.45 -1.86 116.25 117.27 2i4r h VAL 34 Ca -0.02 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2i4r h VAL 34 Cb 0.37 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2i4r h VAL 34 CO 0.04 0.28 -0.10 0.50 0.02 0.00 0.00 177.57 178.31 2i4r h LYS 35 N 1.12 0.37 -0.67 1.57 3.64 -1.37 -1.15 116.57 120.07 2i4r h LYS 35 Ca 0.28 -0.17 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 2i4r h LYS 35 Cb 0.07 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 2i4r h LYS 35 CO -0.04 0.70 0.24 0.00 -2.27 0.00 0.00 179.45 178.08 2i4r h ALA 36 N 0.67 0.89 -0.23 5.00 0.00 -1.16 0.99 119.26 125.41 2i4r h ALA 36 Ca 0.04 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2i4r h ALA 36 Cb 0.59 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2i4r h ALA 36 CO 0.03 -0.21 -0.29 0.28 0.00 0.00 0.00 179.25 179.05 2i4r h VAL 37 N 0.40 1.28 -0.27 0.00 2.07 -1.23 0.30 116.25 118.79 2i4r h VAL 37 Ca 0.35 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 2i4r h VAL 37 Cb 0.50 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2i4r h VAL 37 CO -0.37 0.42 -0.04 -0.33 0.02 0.00 0.00 177.57 177.27 2i4r h GLU 38 N 0.40 0.51 -0.52 1.57 5.08 0.58 -2.32 114.58 119.88 2i4r h GLU 38 Ca 0.05 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2i4r h GLU 38 Cb 0.72 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2i4r h GLU 38 CO 0.06 0.71 0.29 -0.44 -1.00 0.00 0.00 179.01 178.62 2i4r h ASP 39 N 0.28 0.65 0.38 1.42 3.32 0.13 -1.54 116.42 121.06 2i4r h ASP 39 Ca 0.07 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2i4r h ASP 39 Cb 0.50 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2i4r h ASP 39 CO 0.02 0.55 -0.18 1.62 -1.72 0.00 0.00 179.24 179.54 2i4r h VAL 40 N 0.70 0.77 0.00 -1.35 3.04 -0.35 -1.90 116.25 117.16 2i4r h VAL 40 Ca 0.18 -0.71 -0.11 0.00 -1.01 0.00 0.00 66.70 65.05 2i4r h VAL 40 Cb 0.04 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.74 2i4r h VAL 40 CO -0.03 0.18 -0.55 -0.07 -1.01 0.00 0.00 177.57 176.09 2i4r h LEU 41 N 0.00 0.00 -0.71 3.16 3.38 -0.78 -3.08 115.31 117.27 2i4r h LEU 41 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2i4r h LEU 41 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2i4r h LEU 41 CO 0.02 0.55 -0.11 0.11 0.09 0.00 0.00 178.44 179.10 2i4r h LYS 42 N 0.00 0.00 -7.25 1.13 1.57 -0.48 -3.45 116.57 108.08 2i4r h LYS 42 Ca -0.01 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2i4r h LYS 42 Cb 1.38 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.79 2i4r h LYS 42 CO 0.07 0.11 0.35 1.03 -0.57 0.00 0.00 179.45 180.44 2i4r s ARG 43 N -3.42 2.68 0.00 3.15 0.52 -1.09 -4.98 118.95 115.80 2i4r s ARG 43 Ca 0.03 1.26 0.04 0.00 -0.52 0.00 0.00 55.73 56.54 2i4r s ARG 43 Cb 0.08 -1.94 -0.00 0.00 0.52 0.00 0.00 34.95 33.60 2i4r s ARG 43 CO 0.63 -1.33 0.40 -0.40 0.02 0.00 0.00 175.30 174.62 2i4r n ASP 44 N -2.81 0.78 -0.76 0.23 5.75 -1.26 -4.63 116.55 113.84 2i4r n ASP 44 Ca 0.10 -0.89 0.07 0.00 -0.01 0.00 0.00 54.79 54.06 2i4r n ASP 44 Cb 0.53 0.47 0.16 0.00 -1.03 0.00 0.00 41.12 41.24 2i4r n ASP 44 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2i4r n ASP 45 N -0.39 2.90 -4.78 -1.12 5.68 -1.26 -3.89 116.55 113.69 2i4r n ASP 45 Ca 0.01 -1.88 -0.37 0.00 -0.50 0.00 0.00 54.79 52.06 2i4r n ASP 45 Cb 0.08 -0.21 -0.07 0.00 -1.14 0.00 0.00 41.12 39.78 2i4r n ASP 45 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2i4r s VAL 46 N -1.07 5.31 -0.09 2.12 1.01 -1.25 -3.39 120.40 123.05 2i4r s VAL 46 Ca 0.26 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.81 2i4r s VAL 46 Cb 0.15 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 2i4r s VAL 46 CO 0.20 0.47 0.03 0.61 0.00 0.00 0.00 175.10 176.41 2i4r n GLY 47 N 2.85 -0.43 3.17 4.51 0.00 -1.26 -4.11 105.19 109.92 2i4r n GLY 47 Ca -0.14 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 2i4r n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i4r s VAL 48 N -2.21 0.06 -0.05 1.61 1.01 -1.26 -0.46 120.40 119.10 2i4r s VAL 48 Ca -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2i4r s VAL 48 Cb 0.03 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.94 2i4r s VAL 48 CO 0.36 -0.27 0.08 0.54 0.00 0.00 0.00 175.10 175.81 2i4r s VAL 49 N -1.12 -0.13 0.55 2.92 0.11 -1.02 -0.10 120.40 121.62 2i4r s VAL 49 Ca -0.12 0.37 -0.08 0.00 -2.93 0.00 0.00 61.98 59.22 2i4r s VAL 49 Cb -0.06 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 2i4r s VAL 49 CO 0.03 0.15 0.90 -0.63 -3.33 0.00 0.00 175.10 172.22 2i4r s ILE 50 N 1.97 4.64 -0.04 7.04 -1.09 0.51 -1.24 121.20 132.99 2i4r s ILE 50 Ca 0.02 0.44 -0.14 0.00 -2.23 0.00 0.00 60.65 58.74 2i4r s ILE 50 Cb -0.12 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2i4r s ILE 50 CO -0.04 -0.91 0.37 -0.54 -1.23 0.00 0.00 174.94 172.60 2i4r s LYS 52 N -4.96 3.94 0.46 2.79 -0.14 -1.26 -1.44 119.74 119.13 2i4r s LYS 52 Ca 0.51 0.32 0.31 0.00 -1.36 0.00 0.00 55.97 55.76 2i4r s LYS 52 Cb -0.11 -3.26 1.56 0.00 -1.68 0.00 0.00 37.83 34.34 2i4r s LYS 52 CO 0.49 0.60 1.95 0.37 -0.76 0.00 0.00 175.35 178.00 2i4r h GLN 53 N 5.13 0.00 -0.96 1.68 4.15 -1.46 -2.21 115.11 121.44 2i4r h GLN 53 Ca -0.50 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 58.71 2i4r h GLN 53 Cb 1.21 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.78 2i4r h GLN 53 CO 0.64 0.00 0.27 -0.85 -1.93 0.00 0.00 178.83 176.95 2i4r n GLU 54 N -2.65 1.91 -0.02 1.69 0.28 -1.26 -4.06 120.64 116.53 2i4r n GLU 54 Ca -0.01 -1.54 -0.01 0.00 -0.16 0.00 0.00 57.16 55.43 2i4r n GLU 54 Cb 0.13 -1.66 -0.05 0.00 1.43 0.00 0.00 31.44 31.29 2i4r n GLU 54 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2i4r n TYR 55 N -0.20 0.00 -0.18 -1.84 0.53 -0.83 -4.67 117.16 109.97 2i4r n TYR 55 Ca 0.27 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 57.10 2i4r n TYR 55 Cb 1.02 -0.27 0.04 0.00 -1.03 0.00 0.00 39.34 39.11 2i4r n TYR 55 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 2i4r h LEU 56 N 0.00 0.48 -1.70 7.72 4.07 -1.78 -1.71 115.31 122.39 2i4r h LEU 56 Ca -0.12 0.01 0.26 0.00 0.08 0.00 0.00 57.88 58.11 2i4r h LEU 56 Cb 1.08 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.66 2i4r h LEU 56 CO 0.01 0.34 0.68 0.11 -1.08 0.00 0.00 178.44 178.49 2i4r h LYS 57 N 0.60 0.20 0.00 1.13 1.57 -1.84 0.44 116.57 118.68 2i4r h LYS 57 Ca 0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2i4r h LYS 57 Cb 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2i4r h LYS 57 CO -0.11 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 2i4r n LYS 58 N -4.41 0.05 -3.35 3.15 5.02 -0.65 -4.80 118.16 113.17 2i4r n LYS 58 Ca 0.22 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 56.14 2i4r n LYS 58 Cb 0.93 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.37 2i4r n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2i4r s LEU 59 N -2.94 4.23 0.71 -0.35 1.43 0.15 -4.87 118.68 117.04 2i4r s LEU 59 Ca 0.16 0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 53.79 2i4r s LEU 59 Cb 0.19 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 2i4r s LEU 59 CO 0.51 -0.02 0.73 -0.81 0.23 0.00 0.00 176.35 176.99 2i4r n PRO 60 N 3.96 0.42 -0.32 1.29 -0.04 -1.26 -4.49 135.00 134.56 2i4r n PRO 60 Ca -0.08 0.19 0.20 0.00 -0.04 0.00 0.00 63.50 63.77 2i4r n PRO 60 Cb 0.51 -2.00 0.40 0.00 -0.04 0.00 0.00 33.50 32.38 2i4r n PRO 60 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2i4r h PRO 61 N -0.25 0.18 0.13 0.54 0.11 -1.97 -0.49 132.00 130.25 2i4r h PRO 61 Ca -0.46 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2i4r h PRO 61 Cb 1.35 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 2i4r h PRO 61 CO 0.45 0.12 -0.22 0.28 -0.21 0.00 0.00 178.00 178.42 2i4r h VAL 62 N 0.18 0.52 -0.40 3.15 2.07 -2.00 -1.89 116.25 117.88 2i4r h VAL 62 Ca 0.67 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.19 2i4r h VAL 62 Cb 1.52 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2i4r h VAL 62 CO -0.70 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.06 2i4r h LEU 63 N -0.41 0.49 -0.47 2.57 3.38 -1.45 0.26 115.31 119.68 2i4r h LEU 63 Ca 0.02 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2i4r h LEU 63 Cb 0.43 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2i4r h LEU 63 CO -0.11 0.42 0.24 0.03 0.09 0.00 0.00 178.44 179.10 2i4r h ARG 64 N 0.53 0.46 -0.11 1.13 3.08 -1.16 0.21 114.38 118.53 2i4r h ARG 64 Ca 0.14 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 2i4r h ARG 64 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2i4r h ARG 64 CO -0.03 0.31 -0.66 0.07 -1.07 0.00 0.00 179.97 178.59 2i4r h ARG 65 N 0.48 0.43 -0.85 0.04 0.11 -1.15 0.79 114.38 114.22 2i4r h ARG 65 Ca 0.20 -0.32 0.08 0.00 0.10 0.00 0.00 59.98 60.04 2i4r h ARG 65 Cb 0.10 0.06 -0.07 0.00 1.11 0.00 0.00 29.97 31.17 2i4r h ARG 65 CO -0.14 0.94 0.51 0.93 0.10 0.00 0.00 179.97 182.31 2i4r h GLU 66 N 0.30 0.86 0.00 0.08 4.39 0.54 0.52 114.58 121.28 2i4r h GLU 66 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2i4r h GLU 66 Cb 1.22 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2i4r h GLU 66 CO 0.12 0.57 -0.53 0.44 -1.16 0.00 0.00 179.01 178.44 2i4r n ILE 67 N -4.68 0.12 0.04 3.13 -5.35 0.65 -3.79 119.36 109.48 2i4r n ILE 67 Ca 0.13 -0.10 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 2i4r n ILE 67 Cb 0.23 0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.14 2i4r n ILE 67 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2i4r h ASP 68 N 0.00 -0.02 -0.46 7.28 1.82 0.14 -2.35 116.42 122.85 2i4r h ASP 68 Ca 0.00 -0.07 0.08 0.00 -0.39 0.00 0.00 57.03 56.65 2i4r h ASP 68 Cb 0.59 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.51 2i4r h ASP 68 CO 0.00 0.06 -0.41 -0.33 -1.61 0.00 0.00 179.24 176.94 2i4r h GLU 69 N -0.09 -0.28 -6.28 0.28 4.39 -1.53 -3.46 114.58 107.61 2i4r h GLU 69 Ca -0.00 0.02 -0.46 0.00 0.34 0.00 0.00 59.36 59.26 2i4r h GLU 69 Cb 0.09 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2i4r h GLU 69 CO 0.00 -0.18 -0.87 1.17 -1.16 0.00 0.00 179.01 177.97 2i4r n LYS 70 N -5.41 -3.69 0.10 2.33 4.81 -0.88 -4.89 118.16 110.52 2i4r n LYS 70 Ca 0.00 0.50 -0.13 0.00 -0.87 0.00 0.00 58.31 57.81 2i4r n LYS 70 Cb 0.35 -4.76 -0.08 0.00 0.02 0.00 0.00 35.03 30.56 2i4r n LYS 70 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2i4r h VAL 71 N -1.85 0.91 -1.64 3.15 3.04 -1.88 -3.43 116.25 114.55 2i4r h VAL 71 Ca -0.63 -0.50 0.07 0.00 -1.01 0.00 0.00 66.70 64.63 2i4r h VAL 71 Cb 1.37 1.21 -0.26 0.00 -2.01 0.00 0.00 31.29 31.60 2i4r h VAL 71 CO 0.58 0.11 0.37 -1.61 -1.01 0.00 0.00 177.57 176.01 2i4r s GLU 72 N -5.15 0.51 0.61 4.17 2.02 -1.26 -4.67 118.70 114.93 2i4r s GLU 72 Ca -0.15 0.70 -0.12 0.00 0.02 0.00 0.00 54.97 55.42 2i4r s GLU 72 Cb 0.03 0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 2i4r s GLU 72 CO 0.62 -0.08 1.03 -1.25 0.02 0.00 0.00 175.26 175.60 2i4r s PRO 73 N 0.70 3.50 -0.24 0.39 0.04 -1.26 -5.06 135.00 133.07 2i4r s PRO 73 Ca -0.02 0.87 -0.27 0.00 0.04 0.00 0.00 61.00 61.63 2i4r s PRO 73 Cb -0.05 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2i4r s PRO 73 CO -0.10 -0.65 0.94 0.99 0.04 0.00 0.00 177.00 178.22 2i4r s THR 74 N -2.98 4.75 0.22 1.26 2.01 0.39 -4.79 115.64 116.50 2i4r s THR 74 Ca 0.57 1.77 -0.28 0.00 0.31 0.00 0.00 61.69 64.06 2i4r s THR 74 Cb -0.12 -4.22 -0.09 0.00 0.01 0.00 0.00 72.50 68.08 2i4r s THR 74 CO 0.48 -0.15 0.89 -0.36 -0.69 0.00 0.00 174.62 174.79 2i4r s PHE 75 N 3.05 3.95 -0.16 4.92 0.40 -1.26 -2.44 117.98 126.44 2i4r s PHE 75 Ca 0.39 1.82 0.01 0.00 -0.60 0.00 0.00 56.93 58.55 2i4r s PHE 75 Cb -0.15 -2.91 0.02 0.00 0.51 0.00 0.00 43.02 40.50 2i4r s PHE 75 CO 0.07 0.47 -0.15 0.08 0.70 0.00 0.00 175.22 176.39 2i4r s VAL 76 N -1.19 1.69 -0.24 -0.44 1.01 -0.37 -4.93 120.40 115.92 2i4r s VAL 76 Ca 0.40 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2i4r s VAL 76 Cb -0.25 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 2i4r s VAL 76 CO 0.30 0.43 -0.00 -0.94 0.00 0.00 0.00 175.10 174.89 2i4r s SER 77 N 1.43 4.59 -0.57 3.32 1.04 -1.26 -4.18 113.70 118.07 2i4r s SER 77 Ca 0.04 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 55.72 2i4r s SER 77 Cb -0.13 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.18 2i4r s SER 77 CO -0.11 -0.07 1.79 -0.69 0.98 0.00 0.00 173.24 175.15 2i4r s VAL 78 N 1.49 3.42 0.00 5.02 1.01 -1.26 -4.65 120.40 125.43 2i4r s VAL 78 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2i4r s VAL 78 Cb -0.15 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2i4r s VAL 78 CO -0.01 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 174.81