#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ek5 n PRO 4 N 0.00 0.83 -0.26 5.55 -0.02 -1.26 -4.71 135.00 135.13 2ek5 n PRO 4 Ca 0.00 0.32 -0.02 0.00 -2.02 0.00 0.00 63.50 61.77 2ek5 n PRO 4 Cb 0.00 -1.96 0.16 0.00 -0.02 0.00 0.00 33.50 31.68 2ek5 n PRO 4 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2ek5 h LEU 5 N 0.60 0.98 -1.54 2.45 3.38 -1.98 -0.90 115.31 118.31 2ek5 h LEU 5 Ca -0.46 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 2ek5 h LEU 5 Cb 1.37 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2ek5 h LEU 5 CO 0.51 0.80 -0.09 0.10 0.09 0.00 0.00 178.44 179.84 2ek5 h TYR 6 N 1.10 0.19 -0.12 1.13 -0.00 -1.91 0.58 116.97 117.95 2ek5 h TYR 6 Ca 0.28 -0.01 -0.20 0.00 0.00 0.00 0.00 58.73 58.79 2ek5 h TYR 6 Cb 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 36.73 36.72 2ek5 h TYR 6 CO 0.01 0.28 -0.72 -0.22 -0.00 0.00 0.00 178.16 177.51 2ek5 h LYS 7 N 0.18 0.70 -0.94 0.10 1.63 -1.70 -1.87 116.57 114.68 2ek5 h LYS 7 Ca 0.04 -0.59 0.01 0.00 -0.85 0.00 0.00 60.65 59.25 2ek5 h LYS 7 Cb 0.28 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 2ek5 h LYS 7 CO 0.01 1.20 0.61 1.96 -3.45 0.00 0.00 179.45 179.79 2ek5 h GLN 8 N 0.38 1.24 -0.21 1.90 4.20 -0.49 0.36 115.11 122.50 2ek5 h GLN 8 Ca -0.06 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2ek5 h GLN 8 Cb 1.36 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 2ek5 h GLN 8 CO 0.15 0.82 0.03 0.82 -0.67 0.00 0.00 178.83 179.98 2ek5 h ILE 9 N 1.27 1.23 -0.68 2.54 1.08 -0.87 -1.68 117.51 120.40 2ek5 h ILE 9 Ca 0.34 -0.75 0.04 0.00 -0.39 0.00 0.00 64.86 64.11 2ek5 h ILE 9 Cb -0.14 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 2ek5 h ILE 9 CO -0.07 0.23 0.41 0.00 -0.69 0.00 0.00 178.15 178.03 2ek5 h ALA 10 N 0.84 0.89 -0.34 1.87 0.00 -0.88 -2.37 119.26 119.27 2ek5 h ALA 10 Ca 0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2ek5 h ALA 10 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2ek5 h ALA 10 CO 0.00 0.14 -0.14 0.77 0.00 0.00 0.00 179.25 180.03 2ek5 h SER 11 N 0.78 0.59 -0.73 0.00 0.02 -0.79 -1.27 113.55 112.14 2ek5 h SER 11 Ca 0.28 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2ek5 h SER 11 Cb 0.08 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 2ek5 h SER 11 CO -0.13 0.75 0.31 -0.07 -1.14 0.00 0.00 176.83 176.55 2ek5 h LEU 12 N 0.55 1.01 -0.24 5.07 3.38 -0.82 0.12 115.31 124.38 2ek5 h LEU 12 Ca 0.10 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2ek5 h LEU 12 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2ek5 h LEU 12 CO 0.04 0.89 -0.15 0.40 0.09 0.00 0.00 178.44 179.71 2ek5 h ILE 13 N 1.08 1.31 -0.59 1.22 2.04 -1.03 -1.74 117.51 119.80 2ek5 h ILE 13 Ca 0.25 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2ek5 h ILE 13 Cb 0.19 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 2ek5 h ILE 13 CO -0.02 0.39 0.38 -0.33 0.00 0.00 0.00 178.15 178.57 2ek5 h GLU 14 N 0.24 0.79 -0.67 2.37 5.08 -0.95 -1.38 114.58 120.06 2ek5 h GLU 14 Ca 0.05 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2ek5 h GLU 14 Cb 0.67 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2ek5 h GLU 14 CO 0.04 0.54 0.33 -0.44 -1.00 0.00 0.00 179.01 178.48 2ek5 h ASP 15 N 0.80 0.43 -0.20 1.42 3.32 -0.63 0.19 116.42 121.76 2ek5 h ASP 15 Ca 0.22 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2ek5 h ASP 15 Cb -0.07 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2ek5 h ASP 15 CO -0.04 0.25 0.08 0.28 -1.72 0.00 0.00 179.24 178.08 2ek5 h SER 16 N 0.57 0.33 -0.13 6.45 0.02 -0.53 0.19 113.55 120.47 2ek5 h SER 16 Ca 0.33 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 2ek5 h SER 16 Cb 0.33 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.79 2ek5 h SER 16 CO -0.26 0.33 -0.63 0.40 -1.14 0.00 0.00 176.83 175.54 2ek5 h ILE 17 N 0.37 1.32 -0.23 3.27 2.04 0.08 -0.29 117.51 124.07 2ek5 h ILE 17 Ca 0.09 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.03 2ek5 h ILE 17 Cb 0.13 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2ek5 h ILE 17 CO -0.01 0.58 0.03 0.58 0.00 0.00 0.00 178.15 179.34 2ek5 h VAL 18 N 0.31 1.23 0.00 1.67 2.07 -0.16 -2.24 116.25 119.13 2ek5 h VAL 18 Ca -0.04 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2ek5 h VAL 18 Cb 1.27 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2ek5 h VAL 18 CO 0.13 0.24 0.00 0.47 0.02 0.00 0.00 177.57 178.44 2ek5 n ASP 19 N -4.70 0.00 -0.05 0.57 8.00 0.63 -4.85 116.55 116.15 2ek5 n ASP 19 Ca -0.04 0.38 -0.01 0.00 0.71 0.00 0.00 54.79 55.84 2ek5 n ASP 19 Cb 0.20 -0.43 -0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2ek5 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ek5 n GLY 20 N -0.42 0.47 0.00 0.44 0.00 -0.84 -4.90 105.19 99.94 2ek5 n GLY 20 Ca 0.03 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2ek5 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ek5 n THR 21 N -2.88 0.00 -3.90 2.61 -2.24 -0.17 -4.62 114.28 103.09 2ek5 n THR 21 Ca -0.01 -0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 2ek5 n THR 21 Cb 0.07 -0.22 -0.17 0.00 -2.10 0.00 0.00 70.33 67.92 2ek5 n THR 21 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2ek5 s LEU 22 N -3.00 1.41 0.00 3.22 0.20 -0.87 -5.00 118.68 114.65 2ek5 s LEU 22 Ca 0.13 -0.50 0.07 0.00 0.69 0.00 0.00 54.13 54.52 2ek5 s LEU 22 Cb 0.18 -0.88 0.07 0.00 -0.43 0.00 0.00 46.19 45.14 2ek5 s LEU 22 CO 0.59 -0.16 0.62 -1.54 -0.29 0.00 0.00 176.35 175.57 2ek5 n SER 23 N 4.91 2.16 -0.08 3.68 3.41 -1.26 -4.45 113.62 121.98 2ek5 n SER 23 Ca -0.12 -2.52 -0.06 0.00 -0.26 0.00 0.00 58.87 55.91 2ek5 n SER 23 Cb 0.49 -0.27 0.12 0.00 -0.26 0.00 0.00 64.21 64.28 2ek5 n SER 23 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2ek5 h ILE 24 N 0.27 1.26 -1.51 -1.33 2.10 -1.91 -3.24 117.51 113.16 2ek5 h ILE 24 Ca -0.27 -1.24 -0.65 0.00 1.08 0.00 0.00 64.86 63.78 2ek5 h ILE 24 Cb 1.15 1.14 -0.36 0.00 -1.09 0.00 0.00 36.82 37.66 2ek5 h ILE 24 CO 0.40 0.42 -0.03 0.47 -1.08 0.00 0.00 178.15 178.33 2ek5 n ASP 25 N -4.14 5.91 -3.87 2.19 8.00 -1.26 -4.00 116.55 119.38 2ek5 n ASP 25 Ca 0.01 -3.77 -0.28 0.00 0.71 0.00 0.00 54.79 51.46 2ek5 n ASP 25 Cb 0.40 -0.68 -0.17 0.00 -0.02 0.00 0.00 41.12 40.65 2ek5 n ASP 25 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2ek5 s GLN 26 N -3.74 1.32 0.23 -1.24 0.74 -1.22 -5.11 119.66 110.64 2ek5 s GLN 26 Ca 0.51 -0.45 -0.31 0.00 0.05 0.00 0.00 55.36 55.17 2ek5 s GLN 26 Cb 0.42 -1.91 -0.14 0.00 1.10 0.00 0.00 33.01 32.48 2ek5 s GLN 26 CO -0.21 -0.43 1.24 -2.13 -0.55 0.00 0.00 175.29 173.21 2ek5 n ARG 27 N 4.91 1.61 -3.22 1.67 0.63 -1.26 -4.46 116.66 116.55 2ek5 n ARG 27 Ca -0.11 0.57 -0.37 0.00 -0.92 0.00 0.00 57.85 57.02 2ek5 n ARG 27 Cb 0.48 -2.12 -0.06 0.00 0.45 0.00 0.00 32.46 31.21 2ek5 n ARG 27 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2ek5 s VAL 28 N -0.35 4.69 0.25 5.15 1.01 -1.26 -5.00 120.40 124.89 2ek5 s VAL 28 Ca 0.67 1.16 -0.31 0.00 0.00 0.00 0.00 61.98 63.51 2ek5 s VAL 28 Cb -0.72 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 31.66 2ek5 s VAL 28 CO 0.53 0.35 1.30 -2.65 0.00 0.00 0.00 175.10 174.63 2ek5 n PRO 29 N 1.12 1.81 -1.73 2.72 -0.02 -1.26 -4.91 135.00 132.73 2ek5 n PRO 29 Ca -0.06 0.64 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 2ek5 n PRO 29 Cb 0.51 -2.23 0.10 0.00 -0.02 0.00 0.00 33.50 31.86 2ek5 n PRO 29 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2ek5 s SER 30 N 0.05 4.32 0.21 2.55 1.04 -1.26 -4.69 113.70 115.93 2ek5 s SER 30 Ca 0.66 0.97 -0.13 0.00 0.48 0.00 0.00 55.95 57.93 2ek5 s SER 30 Cb -0.68 -1.57 0.23 0.00 0.10 0.00 0.00 66.02 64.10 2ek5 s SER 30 CO 0.53 -2.04 1.64 0.74 0.98 0.00 0.00 173.24 175.09 2ek5 h THR 31 N -1.14 0.42 -0.82 2.02 2.02 -1.92 0.35 112.91 113.83 2ek5 h THR 31 Ca -0.47 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 2ek5 h THR 31 Cb 1.31 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 2ek5 h THR 31 CO 0.63 0.00 0.36 -1.13 0.37 0.00 0.00 175.52 175.76 2ek5 h ASN 32 N 0.02 1.11 -0.28 4.18 -1.24 -1.92 0.53 115.58 117.99 2ek5 h ASN 32 Ca 0.29 -0.16 -0.17 0.00 0.71 0.00 0.00 56.30 56.98 2ek5 h ASN 32 Cb 0.46 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.22 2ek5 h ASN 32 CO -0.60 0.96 -0.49 -0.33 -1.29 0.00 0.00 177.43 175.68 2ek5 h GLU 33 N 1.19 0.82 -0.44 6.67 5.08 -1.48 -1.93 114.58 124.49 2ek5 h GLU 33 Ca 0.28 -0.51 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 2ek5 h GLU 33 Cb 0.17 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2ek5 h GLU 33 CO -0.03 1.14 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.95 2ek5 h LEU 34 N 0.58 0.86 -0.54 1.33 3.38 -0.23 -1.04 115.31 119.66 2ek5 h LEU 34 Ca 0.02 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.65 2ek5 h LEU 34 Cb 1.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2ek5 h LEU 34 CO 0.11 1.02 0.33 0.00 0.09 0.00 0.00 178.44 179.99 2ek5 h ALA 35 N 0.87 0.69 -0.36 1.53 0.00 -0.86 -0.86 119.26 120.26 2ek5 h ALA 35 Ca 0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2ek5 h ALA 35 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ek5 h ALA 35 CO 0.04 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.22 2ek5 h ALA 36 N 1.23 0.49 0.26 0.00 0.00 -1.21 0.02 119.26 120.05 2ek5 h ALA 36 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2ek5 h ALA 36 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ek5 h ALA 36 CO -0.09 0.38 -0.12 0.35 0.00 0.00 0.00 179.25 179.76 2ek5 h PHE 37 N 0.50 -0.32 0.00 0.00 3.57 -0.94 -3.13 116.94 116.61 2ek5 h PHE 37 Ca 0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2ek5 h PHE 37 Cb 0.64 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.49 2ek5 h PHE 37 CO 0.05 -0.20 0.00 0.72 -2.23 0.00 0.00 178.31 176.65 2ek5 n HIS 38 N -3.35 0.00 -3.60 0.41 8.25 -0.35 -4.87 115.22 111.71 2ek5 n HIS 38 Ca -0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.15 2ek5 n HIS 38 Cb 0.14 -0.33 0.05 0.00 1.12 0.00 0.00 29.99 30.97 2ek5 n HIS 38 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2ek5 n ARG 39 N -1.33 -2.00 -4.62 -0.41 0.63 -0.14 -5.00 116.66 103.80 2ek5 n ARG 39 Ca 0.05 0.57 -0.29 0.00 -0.92 0.00 0.00 57.85 57.26 2ek5 n ARG 39 Cb 0.11 -4.65 -0.07 0.00 0.45 0.00 0.00 32.46 28.29 2ek5 n ARG 39 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2ek5 s ILE 40 N -3.49 0.69 0.25 5.15 -4.36 -0.43 -5.02 121.20 113.99 2ek5 s ILE 40 Ca 0.39 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.49 2ek5 s ILE 40 Cb -0.12 -2.19 -0.09 0.00 1.25 0.00 0.00 42.46 41.31 2ek5 s ILE 40 CO 0.83 0.00 1.16 0.21 0.24 0.00 0.00 174.94 177.38 2ek5 s ASN 41 N -3.73 7.14 0.19 4.36 2.47 -1.26 -4.68 114.94 119.43 2ek5 s ASN 41 Ca 0.14 2.30 -0.12 0.00 0.42 0.00 0.00 52.86 55.61 2ek5 s ASN 41 Cb 0.01 -2.62 0.21 0.00 -1.45 0.00 0.00 41.25 37.40 2ek5 s ASN 41 CO 0.10 -0.28 1.72 -0.65 -3.72 0.00 0.00 177.10 174.27 2ek5 h PRO 42 N 4.31 0.26 -0.16 0.43 0.11 -1.92 -0.03 132.00 134.99 2ek5 h PRO 42 Ca -0.46 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.68 2ek5 h PRO 42 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2ek5 h PRO 42 CO 0.70 0.17 0.14 0.00 -0.21 0.00 0.00 178.00 178.80 2ek5 h ALA 43 N 1.40 1.95 -0.03 -0.75 0.00 -1.94 0.14 119.26 120.02 2ek5 h ALA 43 Ca 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2ek5 h ALA 43 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ek5 h ALA 43 CO -0.33 -0.23 -0.15 1.15 0.00 0.00 0.00 179.25 179.69 2ek5 h THR 44 N 0.00 1.48 -0.84 0.00 2.02 -1.40 -1.12 112.91 113.05 2ek5 h THR 44 Ca 0.08 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.61 2ek5 h THR 44 Cb 0.36 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2ek5 h THR 44 CO -0.00 0.45 0.46 0.00 0.37 0.00 0.00 175.52 176.79 2ek5 h ALA 45 N 0.39 1.08 -0.04 6.16 0.00 -0.78 -1.79 119.26 124.28 2ek5 h ALA 45 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ek5 h ALA 45 Cb 0.80 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ek5 h ALA 45 CO 0.03 0.59 -0.01 -0.09 0.00 0.00 0.00 179.25 179.78 2ek5 h ARG 46 N 1.18 0.00 -0.35 0.00 2.43 -0.74 -1.13 114.38 115.76 2ek5 h ARG 46 Ca 0.30 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 2ek5 h ARG 46 Cb 0.04 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2ek5 h ARG 46 CO -0.05 0.00 0.24 -0.91 -1.51 0.00 0.00 179.97 177.74 2ek5 h ASN 47 N 0.00 0.28 -0.10 -3.80 -0.26 -0.87 0.78 115.58 111.60 2ek5 h ASN 47 Ca 0.02 -0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 2ek5 h ASN 47 Cb 0.03 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2ek5 h ASN 47 CO -0.04 0.19 -0.07 1.23 -1.06 0.00 0.00 177.43 177.68 2ek5 h GLY 48 N 0.32 0.25 1.00 2.83 0.00 -0.57 -2.21 103.07 104.69 2ek5 h GLY 48 Ca 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2ek5 h GLY 48 CO -0.03 0.22 0.27 1.41 0.00 0.00 0.00 176.54 178.41 2ek5 h LEU 49 N -0.15 0.84 -1.09 3.11 3.38 -0.52 -2.70 115.31 118.17 2ek5 h LEU 49 Ca 0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2ek5 h LEU 49 Cb 0.55 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2ek5 h LEU 49 CO 0.02 0.77 0.18 0.74 0.09 0.00 0.00 178.44 180.24 2ek5 h THR 50 N 0.87 1.21 -1.00 0.22 2.02 -0.88 -1.35 112.91 114.00 2ek5 h THR 50 Ca 0.21 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.71 2ek5 h THR 50 Cb 0.17 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 2ek5 h THR 50 CO -0.02 0.28 0.66 0.25 0.37 0.00 0.00 175.52 177.05 2ek5 h LEU 51 N 0.80 1.08 -0.61 2.58 7.12 -1.08 0.43 115.31 125.64 2ek5 h LEU 51 Ca 0.18 -0.01 -0.14 0.00 0.13 0.00 0.00 57.88 58.04 2ek5 h LEU 51 Cb 0.23 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 2ek5 h LEU 51 CO -0.01 0.73 -0.69 -0.07 -0.13 0.00 0.00 178.44 178.27 2ek5 h LEU 52 N 1.25 0.00 0.30 2.25 3.38 -1.11 -2.82 115.31 118.56 2ek5 h LEU 52 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2ek5 h LEU 52 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2ek5 h LEU 52 CO -0.14 0.69 -0.14 0.58 0.09 0.00 0.00 178.44 179.52 2ek5 h VAL 53 N 0.00 0.73 0.00 1.22 2.07 -0.23 0.80 116.25 120.84 2ek5 h VAL 53 Ca -0.01 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2ek5 h VAL 53 Cb 1.23 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2ek5 h VAL 53 CO 0.09 0.10 0.03 -0.62 0.02 0.00 0.00 177.57 177.18 2ek5 n GLU 54 N -5.16 0.12 0.00 1.57 1.02 0.04 0.25 120.64 118.48 2ek5 n GLU 54 Ca -0.10 0.61 0.11 0.00 -0.02 0.00 0.00 57.16 57.77 2ek5 n GLU 54 Cb 0.25 -1.92 0.03 0.00 -0.02 0.00 0.00 31.44 29.78 2ek5 n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ek5 n ALA 55 N -1.72 3.33 -0.97 0.62 0.00 -1.07 -4.95 120.51 115.74 2ek5 n ALA 55 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2ek5 n ALA 55 Cb 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2ek5 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ek5 n GLY 56 N 1.40 0.41 0.09 0.00 0.00 0.14 -4.95 105.19 102.29 2ek5 n GLY 56 Ca 0.10 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 2ek5 n GLY 56 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ek5 h ILE 57 N 0.00 0.84 -3.56 -0.61 2.04 -1.00 -3.44 117.51 111.78 2ek5 h ILE 57 Ca 0.00 -2.66 -0.51 0.00 1.00 0.00 0.00 64.86 62.69 2ek5 h ILE 57 Cb 0.00 2.46 -0.19 0.00 -0.74 0.00 0.00 36.82 38.35 2ek5 h ILE 57 CO 0.00 0.59 -0.79 -0.76 0.00 0.00 0.00 178.15 177.19 2ek5 s LEU 58 N -6.33 2.38 0.04 1.44 1.43 -1.08 -1.21 118.68 115.35 2ek5 s LEU 58 Ca -0.08 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 2ek5 s LEU 58 Cb 0.08 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 2ek5 s LEU 58 CO 0.82 -0.03 -0.04 -0.72 0.23 0.00 0.00 176.35 176.60 2ek5 s TYR 59 N -1.77 0.48 -0.10 0.29 1.13 0.26 -4.39 117.35 113.25 2ek5 s TYR 59 Ca 0.11 -0.74 -0.19 0.00 -1.41 0.00 0.00 57.07 54.84 2ek5 s TYR 59 Cb -0.07 -0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 40.42 2ek5 s TYR 59 CO 0.05 -0.23 0.52 0.21 -2.51 0.00 0.00 175.55 173.59 2ek5 s LYS 60 N -2.55 4.34 -0.38 -3.49 2.47 -1.26 -0.64 119.74 118.22 2ek5 s LYS 60 Ca -0.04 0.54 -0.08 0.00 -1.56 0.00 0.00 55.97 54.83 2ek5 s LYS 60 Cb -0.02 -3.42 0.06 0.00 -1.46 0.00 0.00 37.83 32.98 2ek5 s LYS 60 CO -0.04 0.18 0.19 0.21 0.16 0.00 0.00 175.35 176.05 2ek5 s LYS 61 N 0.52 2.59 -0.33 4.03 2.20 -0.09 -4.98 119.74 123.69 2ek5 s LYS 61 Ca 0.28 -1.34 -0.37 0.00 -0.36 0.00 0.00 55.97 54.18 2ek5 s LYS 61 Cb -0.16 -3.64 -0.16 0.00 -1.51 0.00 0.00 37.83 32.36 2ek5 s LYS 61 CO 0.12 -0.83 1.22 0.54 -0.36 0.00 0.00 175.35 176.04 2ek5 n ARG 62 N 4.86 0.00 -0.51 4.03 1.74 -1.26 -0.91 116.66 124.61 2ek5 n ARG 62 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2ek5 n ARG 62 Cb 0.44 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 2ek5 n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ek5 n GLY 63 N 2.87 0.96 0.62 -0.13 0.00 -1.26 -4.78 105.19 103.46 2ek5 n GLY 63 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 2ek5 n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ek5 n ILE 64 N -2.00 1.05 0.00 -0.61 5.41 -0.09 -5.31 119.36 117.81 2ek5 n ILE 64 Ca 0.00 0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2ek5 n ILE 64 Cb 0.00 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 2ek5 n ILE 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ek5 n GLY 65 N 2.42 -1.06 0.00 7.39 0.00 -0.96 -5.02 105.19 107.96 2ek5 n GLY 65 Ca -0.15 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2ek5 n GLY 65 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ek5 n PHE 67 N 0.00 0.00 -3.43 1.61 3.01 0.18 -0.91 117.46 117.92 2ek5 n PHE 67 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 2ek5 n PHE 67 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 2ek5 n PHE 67 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2ek5 s VAL 68 N -2.00 5.23 0.42 -4.37 1.01 -1.26 -0.57 120.40 118.85 2ek5 s VAL 68 Ca 0.00 0.76 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 2ek5 s VAL 68 Cb 0.00 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 2ek5 s VAL 68 CO 0.00 0.38 1.21 -0.55 0.00 0.00 0.00 175.10 176.14 2ek5 s SER 69 N 0.37 6.37 0.48 3.32 0.15 -0.35 -4.55 113.70 119.49 2ek5 s SER 69 Ca 0.22 2.43 0.22 0.00 0.70 0.00 0.00 55.95 59.51 2ek5 s SER 69 Cb -0.14 -2.62 1.20 0.00 -1.71 0.00 0.00 66.02 62.75 2ek5 s SER 69 CO 0.08 -0.79 2.00 0.00 1.20 0.00 0.00 173.24 175.73 2ek5 h ALA 70 N 2.51 1.37 -0.50 5.45 0.00 -1.92 -1.50 119.26 124.67 2ek5 h ALA 70 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2ek5 h ALA 70 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ek5 h ALA 70 CO 0.62 0.23 0.00 0.00 0.00 0.00 0.00 179.25 180.10 2ek5 n GLN 71 N -3.85 3.09 -0.04 0.00 10.64 -1.26 -4.42 117.38 121.55 2ek5 n GLN 71 Ca -0.02 -2.19 -0.10 0.00 -1.83 0.00 0.00 57.00 52.87 2ek5 n GLN 71 Cb 0.28 -1.75 -0.03 0.00 -0.86 0.00 0.00 30.24 27.88 2ek5 n GLN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ek5 h ALA 72 N 3.78 0.22 -0.70 2.61 0.00 -1.55 -0.96 119.26 122.65 2ek5 h ALA 72 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2ek5 h ALA 72 Cb 1.17 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2ek5 h ALA 72 CO 0.18 -0.33 0.33 -1.35 0.00 0.00 0.00 179.25 178.08 2ek5 h PRO 73 N 0.19 0.53 -0.46 0.00 0.11 -1.81 0.20 132.00 130.78 2ek5 h PRO 73 Ca 0.08 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 2ek5 h PRO 73 Cb 0.02 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 2ek5 h PRO 73 CO -0.06 0.35 -0.02 0.00 -0.21 0.00 0.00 178.00 178.06 2ek5 h ALA 74 N 1.45 1.11 -0.37 -0.75 0.00 -1.77 -1.79 119.26 117.13 2ek5 h ALA 74 Ca 0.35 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2ek5 h ALA 74 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ek5 h ALA 74 CO -0.30 0.57 -0.07 -0.07 0.00 0.00 0.00 179.25 179.38 2ek5 h LEU 75 N 0.71 0.71 -0.43 0.00 3.38 0.22 0.29 115.31 120.18 2ek5 h LEU 75 Ca 0.14 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2ek5 h LEU 75 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2ek5 h LEU 75 CO 0.02 0.89 0.04 0.40 0.09 0.00 0.00 178.44 179.88 2ek5 h ILE 76 N 0.51 1.25 0.16 1.22 2.04 -0.93 -0.38 117.51 121.38 2ek5 h ILE 76 Ca 0.10 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 2ek5 h ILE 76 Cb 0.57 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2ek5 h ILE 76 CO 0.03 0.33 -0.08 -0.09 0.00 0.00 0.00 178.15 178.35 2ek5 h ARG 77 N 0.59 -0.21 -0.82 2.37 9.65 -1.26 -0.94 114.38 123.76 2ek5 h ARG 77 Ca 0.13 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 2ek5 h ARG 77 Cb 0.43 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 2ek5 h ARG 77 CO 0.02 0.00 0.54 0.93 2.80 0.00 0.00 179.97 184.26 2ek5 h GLU 78 N -0.39 1.06 -0.07 0.20 5.08 -0.90 0.75 114.58 120.32 2ek5 h GLU 78 Ca -0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2ek5 h GLU 78 Cb 0.31 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2ek5 h GLU 78 CO 0.04 0.70 0.02 -0.09 -1.00 0.00 0.00 179.01 178.67 2ek5 h ARG 79 N 1.09 0.11 -0.34 2.33 2.43 -0.98 -0.91 114.38 118.12 2ek5 h ARG 79 Ca 0.30 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 2ek5 h ARG 79 Cb -0.11 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2ek5 h ARG 79 CO -0.07 0.32 0.05 0.00 -1.51 0.00 0.00 179.97 178.75 2ek5 h ARG 80 N -0.11 0.50 -0.53 0.20 3.08 -0.95 -0.26 114.38 116.32 2ek5 h ARG 80 Ca 0.02 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2ek5 h ARG 80 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2ek5 h ARG 80 CO 0.00 0.49 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.83 2ek5 h ASP 81 N 0.49 1.01 -0.07 7.04 3.32 -0.68 -1.51 116.42 126.01 2ek5 h ASP 81 Ca 0.11 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.72 2ek5 h ASP 81 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2ek5 h ASP 81 CO 0.00 1.14 -0.20 0.00 -1.72 0.00 0.00 179.24 178.45 2ek5 h ALA 82 N 0.91 1.17 -0.34 3.45 0.00 -0.33 -1.01 119.26 123.11 2ek5 h ALA 82 Ca 0.13 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2ek5 h ALA 82 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2ek5 h ALA 82 CO 0.05 0.53 -0.28 0.00 0.00 0.00 0.00 179.25 179.54 2ek5 h ALA 83 N 1.36 0.86 -0.01 0.00 0.00 -0.88 -1.63 119.26 118.96 2ek5 h ALA 83 Ca 0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ek5 h ALA 83 Cb 0.60 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ek5 h ALA 83 CO 0.04 0.63 0.00 0.35 0.00 0.00 0.00 179.25 180.28 2ek5 h PHE 84 N 0.61 0.02 -0.23 0.00 3.57 -0.74 -0.62 116.94 119.54 2ek5 h PHE 84 Ca 0.08 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2ek5 h PHE 84 Cb 0.79 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2ek5 h PHE 84 CO 0.04 0.19 0.14 0.00 -2.23 0.00 0.00 178.31 176.45 2ek5 h ALA 85 N 0.82 0.30 -0.50 2.41 0.00 -1.09 0.43 119.26 121.62 2ek5 h ALA 85 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2ek5 h ALA 85 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2ek5 h ALA 85 CO -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 179.25 179.00 2ek5 h ALA 86 N 1.05 0.69 -0.03 0.00 0.00 -1.30 0.31 119.26 119.98 2ek5 h ALA 86 Ca 0.08 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 2ek5 h ALA 86 Cb 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2ek5 h ALA 86 CO -0.02 0.54 -0.94 1.15 0.00 0.00 0.00 179.25 179.99 2ek5 h THR 87 N 0.78 1.33 0.00 0.00 2.02 -0.99 -3.28 112.91 112.77 2ek5 h THR 87 Ca 0.14 -2.26 -0.28 0.00 0.77 0.00 0.00 66.41 64.77 2ek5 h THR 87 Cb 0.58 2.30 -0.05 0.00 -1.74 0.00 0.00 68.15 69.24 2ek5 h THR 87 CO 0.03 0.69 -2.05 -1.22 0.37 0.00 0.00 175.52 173.34 2ek5 n TYR 88 N -3.83 0.00 -0.11 3.16 4.01 0.13 -4.67 117.16 115.86 2ek5 n TYR 88 Ca -0.08 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.47 2ek5 n TYR 88 Cb 0.83 -0.76 -0.12 0.00 -0.31 0.00 0.00 39.34 38.98 2ek5 n TYR 88 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2ek5 n VAL 89 N -2.57 1.54 0.04 -0.72 0.31 0.88 -4.18 118.33 113.62 2ek5 n VAL 89 Ca -0.25 -0.59 -0.10 0.00 -0.01 0.00 0.00 64.34 63.39 2ek5 n VAL 89 Cb 1.00 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 32.43 2ek5 n VAL 89 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ek5 h ALA 90 N 0.03 -0.22 0.00 3.52 0.00 -0.99 -0.81 119.26 120.78 2ek5 h ALA 90 Ca -0.55 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 2ek5 h ALA 90 Cb 1.93 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 2ek5 h ALA 90 CO -0.06 -0.69 -0.22 -1.00 0.00 0.00 0.00 179.25 177.28 2ek5 h PRO 91 N -0.30 0.00 -0.30 0.00 0.13 -1.81 -1.44 132.00 128.28 2ek5 h PRO 91 Ca 0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 2ek5 h PRO 91 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2ek5 h PRO 91 CO -0.23 0.22 0.00 1.25 -0.23 0.00 0.00 178.00 179.02 2ek5 h LEU 92 N 0.00 0.52 -0.33 1.56 6.46 -1.53 -1.19 115.31 120.81 2ek5 h LEU 92 Ca -0.00 -0.31 -0.06 0.00 -0.12 0.00 0.00 57.88 57.39 2ek5 h LEU 92 Cb 0.51 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2ek5 h LEU 92 CO 0.03 0.70 -0.04 0.40 -0.62 0.00 0.00 178.44 178.91 2ek5 h ILE 93 N 0.32 1.27 -0.22 4.05 1.08 -0.88 -1.42 117.51 121.71 2ek5 h ILE 93 Ca 0.09 -1.05 0.03 0.00 -0.39 0.00 0.00 64.86 63.54 2ek5 h ILE 93 Cb 0.43 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.44 2ek5 h ILE 93 CO 0.02 0.34 0.03 0.44 -0.69 0.00 0.00 178.15 178.29 2ek5 h ASP 94 N 0.39 -0.01 -0.08 1.72 5.19 -1.22 -1.64 116.42 120.78 2ek5 h ASP 94 Ca 0.09 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.49 2ek5 h ASP 94 Cb 0.51 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2ek5 h ASP 94 CO 0.02 0.03 -0.08 -0.08 -3.12 0.00 0.00 179.24 176.01 2ek5 h GLU 95 N 0.12 0.35 -0.61 3.56 4.57 -1.14 -1.52 114.58 119.91 2ek5 h GLU 95 Ca 0.10 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2ek5 h GLU 95 Cb 0.11 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2ek5 h GLU 95 CO -0.14 0.45 0.30 0.77 -1.18 0.00 0.00 179.01 179.20 2ek5 h SER 96 N 0.33 0.79 -0.37 1.04 0.02 -0.59 0.39 113.55 115.16 2ek5 h SER 96 Ca 0.07 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2ek5 h SER 96 Cb 0.36 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2ek5 h SER 96 CO 0.02 0.70 -0.05 0.40 -1.14 0.00 0.00 176.83 176.76 2ek5 h ILE 97 N 0.83 1.27 -0.59 3.27 2.04 -0.94 0.15 117.51 123.54 2ek5 h ILE 97 Ca 0.21 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2ek5 h ILE 97 Cb 0.11 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 2ek5 h ILE 97 CO -0.03 0.36 0.36 -0.74 0.00 0.00 0.00 178.15 178.10 2ek5 h HIS 98 N 0.49 0.67 0.00 1.37 2.76 -0.99 -1.83 115.15 117.62 2ek5 h HIS 98 Ca 0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2ek5 h HIS 98 Cb 0.54 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2ek5 h HIS 98 CO 0.04 0.38 -0.01 1.28 -1.30 0.00 0.00 177.93 178.32 2ek5 n LEU 99 N -4.75 0.12 -0.37 0.26 4.32 0.10 -4.94 117.00 111.74 2ek5 n LEU 99 Ca 0.05 0.50 -0.02 0.00 -0.02 0.00 0.00 56.01 56.52 2ek5 n LEU 99 Cb 0.08 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 2ek5 n LEU 99 CO 0.32 -0.02 -0.01 0.61 -1.22 0.00 0.00 177.39 177.08 2ek5 n GLY 100 N 1.47 0.48 3.84 -0.72 0.00 -0.20 -5.04 105.19 105.02 2ek5 n GLY 100 Ca 0.07 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2ek5 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ek5 s PHE 101 N -2.39 3.38 0.52 1.61 0.08 0.34 -5.02 117.98 116.50 2ek5 s PHE 101 Ca 0.02 1.48 0.01 0.00 0.12 0.00 0.00 56.93 58.56 2ek5 s PHE 101 Cb -0.01 -2.83 0.02 0.00 -0.57 0.00 0.00 43.02 39.64 2ek5 s PHE 101 CO 0.02 -0.44 0.74 0.95 -0.10 0.00 0.00 175.22 176.39 2ek5 s THR 102 N -2.56 3.16 0.22 0.64 -4.23 -1.26 -4.74 115.64 106.86 2ek5 s THR 102 Ca 0.60 -0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 60.43 2ek5 s THR 102 Cb -0.11 -3.18 0.17 0.00 1.34 0.00 0.00 72.50 70.72 2ek5 s THR 102 CO 0.30 -0.13 1.87 -0.09 -0.54 0.00 0.00 174.62 176.03 2ek5 h ARG 103 N 0.17 1.08 -0.53 3.99 2.43 -2.00 -2.43 114.38 117.09 2ek5 h ARG 103 Ca -0.44 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 2ek5 h ARG 103 Cb 1.28 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2ek5 h ARG 103 CO 0.54 0.74 0.20 0.00 -1.51 0.00 0.00 179.97 179.94 2ek5 h ALA 104 N 1.27 0.69 -0.51 2.80 0.00 -1.99 -2.33 119.26 119.19 2ek5 h ALA 104 Ca 0.29 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ek5 h ALA 104 Cb -0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 2ek5 h ALA 104 CO -0.06 0.32 0.29 -0.09 0.00 0.00 0.00 179.25 179.71 2ek5 h ARG 105 N 0.72 0.57 -0.64 0.00 9.65 -1.86 0.40 114.38 123.22 2ek5 h ARG 105 Ca 0.18 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 2ek5 h ARG 105 Cb 0.22 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 2ek5 h ARG 105 CO -0.01 0.37 0.20 0.97 2.80 0.00 0.00 179.97 184.30 2ek5 h ILE 106 N 0.58 1.25 -0.23 1.20 6.09 -1.29 0.28 117.51 125.39 2ek5 h ILE 106 Ca 0.21 -0.85 -0.08 0.00 -1.37 0.00 0.00 64.86 62.76 2ek5 h ILE 106 Cb 0.04 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 37.91 2ek5 h ILE 106 CO -0.10 0.33 -0.22 0.45 -3.07 0.00 0.00 178.15 175.53 2ek5 h HIS 107 N 0.92 0.47 -0.28 2.19 3.86 -1.09 -1.75 115.15 119.47 2ek5 h HIS 107 Ca 0.21 -0.09 -0.16 0.00 -1.16 0.00 0.00 60.37 59.17 2ek5 h HIS 107 Cb 0.29 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2ek5 h HIS 107 CO 0.02 0.62 -0.47 0.00 0.86 0.00 0.00 177.93 178.96 2ek5 h ALA 108 N 1.39 0.65 -0.73 2.45 0.00 -0.47 -2.48 119.26 120.06 2ek5 h ALA 108 Ca 0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2ek5 h ALA 108 Cb 0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2ek5 h ALA 108 CO 0.04 0.67 0.29 -0.07 0.00 0.00 0.00 179.25 180.19 2ek5 h LEU 109 N 0.59 1.01 -0.07 0.00 3.38 -0.63 0.17 115.31 119.76 2ek5 h LEU 109 Ca 0.03 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2ek5 h LEU 109 Cb 1.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2ek5 h LEU 109 CO 0.10 0.91 0.02 0.25 0.09 0.00 0.00 178.44 179.81 2ek5 h LEU 110 N 1.05 0.03 -0.67 1.67 5.85 -1.20 -1.32 115.31 120.72 2ek5 h LEU 110 Ca 0.24 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 2ek5 h LEU 110 Cb 0.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2ek5 h LEU 110 CO -0.02 0.03 0.01 0.44 -0.34 0.00 0.00 178.44 178.56 2ek5 h ASP 111 N 0.06 1.01 -0.81 1.25 3.32 -1.12 -1.72 116.42 118.41 2ek5 h ASP 111 Ca 0.03 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2ek5 h ASP 111 Cb 0.01 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 2ek5 h ASP 111 CO -0.03 1.06 0.50 -0.61 -1.72 0.00 0.00 179.24 178.44 2ek5 h GLN 112 N 0.95 1.10 -0.15 3.56 4.15 -0.45 -0.89 115.11 123.37 2ek5 h GLN 112 Ca 0.17 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.39 2ek5 h GLN 112 Cb 0.54 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2ek5 h GLN 112 CO 0.03 0.76 -0.33 0.28 -1.93 0.00 0.00 178.83 177.64 2ek5 h VAL 113 N 1.11 1.36 -0.58 2.39 2.07 -1.08 -2.37 116.25 119.15 2ek5 h VAL 113 Ca 0.29 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 66.26 2ek5 h VAL 113 Cb -0.07 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2ek5 h VAL 113 CO -0.06 0.48 0.33 0.00 0.02 0.00 0.00 177.57 178.35 2ek5 h ALA 114 N 0.55 0.76 0.00 1.67 0.00 -1.13 -1.25 119.26 119.87 2ek5 h ALA 114 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ek5 h ALA 114 Cb 0.93 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ek5 h ALA 114 CO 0.07 0.03 -0.03 0.93 0.00 0.00 0.00 179.25 180.25 2ek5 h GLU 115 N 0.64 0.00 -2.80 0.00 5.08 -1.16 -3.36 114.58 112.98 2ek5 h GLU 115 Ca 0.25 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.01 2ek5 h GLU 115 Cb 0.09 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.95 2ek5 h GLU 115 CO -0.14 0.03 -0.79 0.45 -1.00 0.00 0.00 179.01 177.57 2ek5 s SER 116 N -5.70 3.23 0.00 1.42 0.15 -0.48 -5.09 113.70 107.23 2ek5 s SER 116 Ca 0.00 -2.75 0.26 0.00 0.70 0.00 0.00 55.95 54.16 2ek5 s SER 116 Cb 0.10 -0.86 0.63 0.00 -1.71 0.00 0.00 66.02 64.17 2ek5 s SER 116 CO 0.54 -0.24 1.51 0.54 1.20 0.00 0.00 173.24 176.79