#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 -0.14 -0.16 1.45 -0.04 -1.26 -4.70 135.00 130.16 2ek5 n PRO 4 Ca 0.00 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2ek5 n PRO 4 Cb 0.00 -2.36 0.35 0.00 -0.04 0.00 0.00 33.50 31.44 2ek5 n PRO 4 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2ek5 h LEU 5 N -1.39 0.67 -0.70 1.53 3.38 -1.98 -0.65 115.31 116.17 2ek5 h LEU 5 Ca -0.45 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 2ek5 h LEU 5 Cb 1.29 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2ek5 h LEU 5 CO 0.43 0.45 0.26 0.10 0.09 0.00 0.00 178.44 179.76 2ek5 h TYR 6 N 0.77 1.08 -0.15 1.13 -0.00 -1.91 -1.55 116.97 116.34 2ek5 h TYR 6 Ca 0.28 -0.09 -0.15 0.00 0.00 0.00 0.00 58.73 58.76 2ek5 h TYR 6 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 36.73 36.53 2ek5 h TYR 6 CO -0.00 0.85 -0.55 -0.22 -0.00 0.00 0.00 178.16 178.24 2ek5 h LYS 7 N 1.00 0.46 -0.92 0.10 1.63 -1.78 -2.71 116.57 114.34 2ek5 h LYS 7 Ca 0.23 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2ek5 h LYS 7 Cb 0.24 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 2ek5 h LYS 7 CO -0.01 0.88 0.54 1.96 -3.45 0.00 0.00 179.45 179.37 2ek5 h GLN 8 N 0.35 1.26 -0.04 1.90 4.20 -0.59 0.00 115.11 122.19 2ek5 h GLN 8 Ca 0.01 -0.12 -0.23 0.00 0.06 0.00 0.00 58.65 58.36 2ek5 h GLN 8 Cb 1.07 -0.26 0.01 0.00 0.30 0.00 0.00 27.48 28.60 2ek5 h GLN 8 CO 0.10 0.89 -0.92 -0.84 -0.67 0.00 0.00 178.83 177.39 2ek5 h ILE 9 N 1.27 1.33 -0.40 2.54 3.07 -1.20 -1.88 117.51 122.24 2ek5 h ILE 9 Ca 0.33 -2.25 0.02 0.00 1.55 0.00 0.00 64.86 64.51 2ek5 h ILE 9 Cb -0.04 2.28 -0.03 0.00 -0.27 0.00 0.00 36.82 38.76 2ek5 h ILE 9 CO -0.06 0.69 0.23 0.00 -1.05 0.00 0.00 178.15 177.96 2ek5 h ALA 10 N 0.62 0.51 -0.90 0.16 0.00 -1.21 -1.94 119.26 116.50 2ek5 h ALA 10 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ek5 h ALA 10 Cb 1.55 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2ek5 h ALA 10 CO 0.17 -0.11 0.54 1.03 0.00 0.00 0.00 179.25 180.88 2ek5 h SER 11 N 0.47 1.09 -0.70 0.00 0.87 -0.95 0.25 113.55 114.57 2ek5 h SER 11 Ca 0.16 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2ek5 h SER 11 Cb 0.02 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 2ek5 h SER 11 CO -0.08 0.84 0.31 -0.07 -0.53 0.00 0.00 176.83 177.30 2ek5 h LEU 12 N 1.25 0.94 -0.26 2.23 3.38 -0.86 0.18 115.31 122.17 2ek5 h LEU 12 Ca 0.32 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2ek5 h LEU 12 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2ek5 h LEU 12 CO -0.06 0.83 -0.07 0.40 0.09 0.00 0.00 178.44 179.63 2ek5 h ILE 13 N 0.99 1.28 -0.42 1.22 2.04 -0.78 -2.27 117.51 119.56 2ek5 h ILE 13 Ca 0.24 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 65.06 2ek5 h ILE 13 Cb 0.16 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2ek5 h ILE 13 CO -0.03 0.34 0.16 -0.08 0.00 0.00 0.00 178.15 178.55 2ek5 h GLU 14 N 0.25 0.33 -0.11 2.37 4.81 -0.17 -2.09 114.58 119.96 2ek5 h GLU 14 Ca 0.06 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2ek5 h GLU 14 Cb 0.54 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2ek5 h GLU 14 CO 0.03 0.22 -0.26 -0.44 -0.73 0.00 0.00 179.01 177.83 2ek5 h ASP 15 N 0.34 0.20 0.43 1.04 3.32 -0.61 -1.57 116.42 119.56 2ek5 h ASP 15 Ca 0.19 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 2ek5 h ASP 15 Cb 0.16 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2ek5 h ASP 15 CO -0.18 0.46 -0.33 0.77 -1.72 0.00 0.00 179.24 178.24 2ek5 h SER 16 N 0.19 0.00 -0.02 6.45 4.64 -0.78 0.72 113.55 124.75 2ek5 h SER 16 Ca 0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2ek5 h SER 16 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2ek5 h SER 16 CO 0.04 0.33 -0.16 0.40 -0.87 0.00 0.00 176.83 176.57 2ek5 h ILE 17 N 0.00 1.51 -0.87 0.95 2.04 -0.88 0.73 117.51 121.01 2ek5 h ILE 17 Ca -0.00 -1.74 0.03 0.00 1.00 0.00 0.00 64.86 64.15 2ek5 h ILE 17 Cb 0.63 2.60 -0.05 0.00 -0.74 0.00 0.00 36.82 39.25 2ek5 h ILE 17 CO 0.04 0.47 0.56 0.58 0.00 0.00 0.00 178.15 179.81 2ek5 h VAL 18 N -0.49 1.15 0.00 1.67 2.07 -0.78 -1.71 116.25 118.16 2ek5 h VAL 18 Ca -0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2ek5 h VAL 18 Cb 0.86 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2ek5 h VAL 18 CO 0.03 0.20 0.00 0.47 0.02 0.00 0.00 177.57 178.29 2ek5 n ASP 19 N -4.53 0.40 0.00 0.57 8.00 0.25 -4.93 116.55 116.31 2ek5 n ASP 19 Ca 0.11 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.16 2ek5 n ASP 19 Cb 0.08 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 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 1.02 0.53 0.47 0.44 0.00 -0.64 -4.94 105.19 102.07 2ek5 n GLY 20 Ca 0.05 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.76 0.00 -3.62 2.61 -2.24 0.18 -4.79 114.28 103.67 2ek5 n THR 21 Ca 0.00 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 2ek5 n THR 21 Cb 0.00 0.94 -0.16 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.39 0.13 0.00 3.22 2.96 -0.94 -4.99 118.68 116.68 2ek5 s LEU 22 Ca 0.23 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2ek5 s LEU 22 Cb 0.19 -0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.87 2ek5 s LEU 22 CO 0.50 -0.30 0.00 -1.54 -1.32 0.00 0.00 176.35 173.69 2ek5 n SER 23 N 5.30 1.79 -4.80 3.68 3.41 -1.26 -4.28 113.62 117.46 2ek5 n SER 23 Ca -0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.25 2ek5 n SER 23 Cb 0.49 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 2ek5 n SER 23 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2ek5 s ILE 24 N 0.80 3.58 -1.46 -1.33 -4.36 -1.26 -3.80 121.20 113.36 2ek5 s ILE 24 Ca 0.00 0.51 -0.09 0.00 -0.26 0.00 0.00 60.65 60.81 2ek5 s ILE 24 Cb 0.00 -3.20 0.04 0.00 1.25 0.00 0.00 42.46 40.55 2ek5 s ILE 24 CO 0.00 -0.67 0.83 0.47 0.24 0.00 0.00 174.94 175.81 2ek5 n ASP 25 N -3.32 -5.47 -3.62 4.36 8.00 -1.26 -4.96 116.55 110.28 2ek5 n ASP 25 Ca 0.08 -0.49 -0.27 0.00 0.71 0.00 0.00 54.79 54.82 2ek5 n ASP 25 Cb 0.54 -4.38 -0.17 0.00 -0.02 0.00 0.00 41.12 37.09 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 -6.14 0.15 0.18 -1.24 0.74 -1.25 -5.12 119.66 106.99 2ek5 s GLN 26 Ca 0.48 -0.18 -0.33 0.00 0.05 0.00 0.00 55.36 55.38 2ek5 s GLN 26 Cb -0.23 -1.79 -0.13 0.00 1.10 0.00 0.00 33.01 31.96 2ek5 s GLN 26 CO 0.60 -0.71 1.65 -2.13 -0.55 0.00 0.00 175.29 174.15 2ek5 n ARG 27 N 5.24 2.45 -3.40 1.67 0.63 -1.26 -4.42 116.66 117.57 2ek5 n ARG 27 Ca -0.07 0.88 -0.34 0.00 -0.92 0.00 0.00 57.85 57.40 2ek5 n ARG 27 Cb 0.48 -2.69 -0.06 0.00 0.45 0.00 0.00 32.46 30.65 2ek5 n ARG 27 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2ek5 s VAL 28 N 1.02 4.90 0.08 5.15 -7.23 -1.26 -4.99 120.40 118.07 2ek5 s VAL 28 Ca 0.77 0.66 -0.37 0.00 -1.81 0.00 0.00 61.98 61.23 2ek5 s VAL 28 Cb -0.60 -3.68 -0.17 0.00 0.56 0.00 0.00 36.38 32.49 2ek5 s VAL 28 CO 0.35 0.12 1.30 -2.65 -0.31 0.00 0.00 175.10 173.91 2ek5 n PRO 29 N 0.42 1.01 -1.51 4.82 -0.02 -1.26 -4.90 135.00 133.55 2ek5 n PRO 29 Ca -0.03 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.52 2ek5 n PRO 29 Cb 0.52 -1.98 0.17 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.40 2.79 0.52 2.55 1.04 -1.26 -4.70 113.70 115.05 2ek5 s SER 30 Ca 0.85 0.73 0.20 0.00 0.48 0.00 0.00 55.95 58.21 2ek5 s SER 30 Cb -0.99 -1.11 1.09 0.00 0.10 0.00 0.00 66.02 65.11 2ek5 s SER 30 CO 0.48 -2.97 1.56 0.74 0.98 0.00 0.00 173.24 174.03 2ek5 h THR 31 N -1.79 0.00 0.00 2.02 2.02 -1.91 -1.32 112.91 111.92 2ek5 h THR 31 Ca -0.48 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.46 2ek5 h THR 31 Cb 1.30 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2ek5 h THR 31 CO 0.50 0.00 -1.93 0.59 0.37 0.00 0.00 175.52 175.05 2ek5 n ASN 32 N -2.48 2.42 0.08 4.18 3.02 -1.26 -3.65 115.26 117.56 2ek5 n ASN 32 Ca -0.01 -0.06 0.02 0.00 -0.03 0.00 0.00 54.58 54.50 2ek5 n ASN 32 Cb 0.41 0.08 0.39 0.00 -0.61 0.00 0.00 39.78 40.05 2ek5 n ASN 32 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2ek5 h GLU 33 N 0.00 0.35 0.13 3.52 5.08 -1.76 0.13 114.58 122.04 2ek5 h GLU 33 Ca -0.36 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2ek5 h GLU 33 Cb 1.65 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2ek5 h GLU 33 CO -0.03 0.39 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.24 2ek5 h LEU 34 N 0.34 -0.15 -0.06 1.33 3.38 -1.47 -1.22 115.31 117.46 2ek5 h LEU 34 Ca 0.08 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2ek5 h LEU 34 Cb 0.26 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2ek5 h LEU 34 CO 0.01 0.17 -0.19 0.00 0.09 0.00 0.00 178.44 178.52 2ek5 h ALA 35 N 0.32 -0.19 0.49 1.53 0.00 -1.50 -0.05 119.26 119.85 2ek5 h ALA 35 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ek5 h ALA 35 Cb 0.39 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2ek5 h ALA 35 CO 0.03 -0.67 -0.43 0.00 0.00 0.00 0.00 179.25 178.18 2ek5 h ALA 36 N 0.67 -0.98 -0.50 0.00 0.00 -0.77 1.10 119.26 118.79 2ek5 h ALA 36 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2ek5 h ALA 36 Cb 0.38 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2ek5 h ALA 36 CO -0.22 -1.08 0.25 0.35 0.00 0.00 0.00 179.25 178.55 2ek5 h PHE 37 N -0.91 0.72 0.00 0.00 3.04 -1.16 -3.00 116.94 115.62 2ek5 h PHE 37 Ca -0.05 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.87 2ek5 h PHE 37 Cb 0.79 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.08 2ek5 h PHE 37 CO -0.20 0.56 -0.37 0.72 -2.02 0.00 0.00 178.31 177.00 2ek5 n HIS 38 N -4.61 0.08 -3.20 0.41 8.25 -0.04 -4.97 115.22 111.14 2ek5 n HIS 38 Ca 0.02 0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.36 2ek5 n HIS 38 Cb 0.11 -0.38 0.07 0.00 1.12 0.00 0.00 29.99 30.92 2ek5 n HIS 38 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ek5 n ARG 39 N -1.59 -5.58 -4.52 -0.41 5.12 0.37 -5.03 116.66 105.03 2ek5 n ARG 39 Ca 0.06 0.69 -0.24 0.00 -1.93 0.00 0.00 57.85 56.43 2ek5 n ARG 39 Cb 0.35 -5.26 -0.10 0.00 -1.16 0.00 0.00 32.46 26.28 2ek5 n ARG 39 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2ek5 s ILE 40 N -3.29 1.33 0.47 0.55 -4.36 -0.68 -5.03 121.20 110.18 2ek5 s ILE 40 Ca 0.06 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.23 2ek5 s ILE 40 Cb -0.03 -2.76 -0.07 0.00 1.25 0.00 0.00 42.46 40.85 2ek5 s ILE 40 CO 0.60 0.00 1.13 0.21 0.24 0.00 0.00 174.94 177.12 2ek5 s ASN 41 N -3.59 6.19 0.31 4.36 3.84 -1.26 -4.58 114.94 120.21 2ek5 s ASN 41 Ca 0.33 2.22 -0.01 0.00 0.21 0.00 0.00 52.86 55.61 2ek5 s ASN 41 Cb 0.08 -2.59 0.48 0.00 -0.55 0.00 0.00 41.25 38.67 2ek5 s ASN 41 CO 0.15 -0.90 1.97 -0.65 -2.79 0.00 0.00 177.10 174.89 2ek5 h PRO 42 N 1.94 1.04 0.00 0.43 0.11 -1.95 -2.08 132.00 131.49 2ek5 h PRO 42 Ca -0.49 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 2ek5 h PRO 42 Cb 1.24 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2ek5 h PRO 42 CO 0.60 0.69 -0.16 0.00 -0.21 0.00 0.00 178.00 178.92 2ek5 h ALA 43 N 1.51 1.60 -0.08 -0.75 0.00 -1.92 0.15 119.26 119.77 2ek5 h ALA 43 Ca 0.30 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2ek5 h ALA 43 Cb -0.10 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2ek5 h ALA 43 CO -0.07 0.19 -0.84 1.15 0.00 0.00 0.00 179.25 179.68 2ek5 h THR 44 N 0.00 1.32 -0.35 0.00 2.02 -1.76 -1.78 112.91 112.36 2ek5 h THR 44 Ca -0.00 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 64.96 2ek5 h THR 44 Cb 0.30 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2ek5 h THR 44 CO 0.02 0.66 -0.04 0.00 0.37 0.00 0.00 175.52 176.53 2ek5 h ALA 45 N 0.66 0.47 -0.70 6.16 0.00 -1.00 -2.47 119.26 122.38 2ek5 h ALA 45 Ca -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2ek5 h ALA 45 Cb 1.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2ek5 h ALA 45 CO 0.16 0.27 0.34 -0.09 0.00 0.00 0.00 179.25 179.93 2ek5 h ARG 46 N 0.44 1.01 -0.73 0.00 2.43 -0.70 -1.98 114.38 114.84 2ek5 h ARG 46 Ca 0.09 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2ek5 h ARG 46 Cb 0.52 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2ek5 h ARG 46 CO 0.03 0.79 0.38 -0.91 -1.51 0.00 0.00 179.97 178.75 2ek5 h ASN 47 N 0.97 0.93 -0.15 -3.80 2.35 -1.26 0.35 115.58 114.98 2ek5 h ASN 47 Ca 0.24 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2ek5 h ASN 47 Cb 0.12 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2ek5 h ASN 47 CO -0.03 0.78 0.09 1.23 -1.65 0.00 0.00 177.43 177.85 2ek5 h GLY 48 N 1.02 0.20 1.43 2.83 0.00 -1.05 -1.79 103.07 105.71 2ek5 h GLY 48 Ca 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 2ek5 h GLY 48 CO -0.04 0.06 0.03 1.41 0.00 0.00 0.00 176.54 178.01 2ek5 h LEU 49 N 0.18 0.67 -1.18 3.11 3.38 -1.12 -2.66 115.31 117.69 2ek5 h LEU 49 Ca 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2ek5 h LEU 49 Cb -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2ek5 h LEU 49 CO -0.03 0.72 0.11 0.74 0.09 0.00 0.00 178.44 180.07 2ek5 h THR 50 N 0.68 1.20 -0.56 0.22 2.02 -0.49 -1.19 112.91 114.79 2ek5 h THR 50 Ca 0.14 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.62 2ek5 h THR 50 Cb 0.37 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2ek5 h THR 50 CO 0.01 0.26 0.36 -0.07 0.37 0.00 0.00 175.52 176.45 2ek5 h LEU 51 N 0.66 0.60 -0.72 2.58 3.38 -0.97 -0.21 115.31 120.63 2ek5 h LEU 51 Ca 0.15 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2ek5 h LEU 51 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2ek5 h LEU 51 CO -0.00 0.43 -0.43 -0.07 0.09 0.00 0.00 178.44 178.45 2ek5 h LEU 52 N 0.72 0.49 -0.02 1.67 3.38 -1.41 -0.57 115.31 119.57 2ek5 h LEU 52 Ca 0.22 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ek5 h LEU 52 Cb -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2ek5 h LEU 52 CO -0.07 0.86 0.01 0.58 0.09 0.00 0.00 178.44 179.91 2ek5 h VAL 53 N 0.38 1.15 0.00 1.22 2.07 -0.79 0.20 116.25 120.48 2ek5 h VAL 53 Ca 0.03 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2ek5 h VAL 53 Cb 0.91 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2ek5 h VAL 53 CO 0.08 0.12 -0.09 -0.33 0.02 0.00 0.00 177.57 177.36 2ek5 h GLU 54 N -0.15 0.00 0.00 1.57 5.08 -0.92 0.12 114.58 120.28 2ek5 h GLU 54 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2ek5 h GLU 54 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ek5 h GLU 54 CO -0.00 0.09 -0.09 0.00 -1.00 0.00 0.00 179.01 178.01 2ek5 n ALA 55 N -2.22 2.54 -0.82 3.43 0.00 -0.23 -4.89 120.51 118.31 2ek5 n ALA 55 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2ek5 n ALA 55 Cb 0.23 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.50 0.66 0.08 0.00 0.00 0.41 -4.92 105.19 102.92 2ek5 n GLY 56 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 1.61 -3.13 -0.61 2.04 -0.82 -3.43 117.51 113.18 2ek5 h ILE 57 Ca 0.00 -3.23 -0.53 0.00 1.00 0.00 0.00 64.86 62.10 2ek5 h ILE 57 Cb 0.00 2.87 -0.17 0.00 -0.74 0.00 0.00 36.82 38.78 2ek5 h ILE 57 CO 0.00 0.93 -0.78 -0.76 0.00 0.00 0.00 178.15 177.55 2ek5 s LEU 58 N -6.94 2.47 0.07 1.44 1.43 -1.03 -1.10 118.68 115.02 2ek5 s LEU 58 Ca -0.01 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.13 2ek5 s LEU 58 Cb 0.09 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2ek5 s LEU 58 CO 0.85 -0.04 0.09 -0.72 0.23 0.00 0.00 176.35 176.76 2ek5 s TYR 59 N -2.21 0.32 -0.12 0.29 1.13 -0.48 -4.40 117.35 111.89 2ek5 s TYR 59 Ca 0.18 -0.80 -0.07 0.00 -1.41 0.00 0.00 57.07 54.98 2ek5 s TYR 59 Cb -0.05 -0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 2ek5 s TYR 59 CO 0.08 -0.46 0.14 0.21 -2.51 0.00 0.00 175.55 173.00 2ek5 s LYS 60 N -3.83 3.44 -0.32 -3.49 2.20 -1.26 -0.73 119.74 115.74 2ek5 s LYS 60 Ca 0.05 -0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.49 2ek5 s LYS 60 Cb 0.06 -3.18 0.05 0.00 -1.51 0.00 0.00 37.83 33.24 2ek5 s LYS 60 CO -0.10 0.78 0.04 0.21 -0.36 0.00 0.00 175.35 175.92 2ek5 s LYS 61 N -1.06 2.50 0.01 4.03 2.20 0.18 -4.96 119.74 122.64 2ek5 s LYS 61 Ca 0.15 -1.24 -0.27 0.00 -0.36 0.00 0.00 55.97 54.25 2ek5 s LYS 61 Cb -0.12 -3.30 -0.14 0.00 -1.51 0.00 0.00 37.83 32.77 2ek5 s LYS 61 CO 0.04 -0.65 0.70 0.54 -0.36 0.00 0.00 175.35 175.63 2ek5 n ARG 62 N 4.70 0.00 -0.55 4.03 1.74 -1.26 -0.83 116.66 124.48 2ek5 n ARG 62 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 2ek5 n ARG 62 Cb 0.44 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 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 1.08 0.00 0.87 -0.13 0.00 -1.26 -4.63 105.19 101.12 2ek5 n GLY 63 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.37 1.01 0.00 -0.61 5.41 -0.01 -5.32 119.36 118.47 2ek5 n ILE 64 Ca 0.00 0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.99 2ek5 n ILE 64 Cb 0.17 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 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 3.02 -0.75 0.00 7.39 0.00 -0.55 -5.00 105.19 109.29 2ek5 n GLY 65 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.51 1.61 3.01 0.09 0.48 117.46 119.14 2ek5 n PHE 67 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 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 5.14 0.41 -4.37 1.01 -1.26 -1.38 120.40 117.95 2ek5 s VAL 68 Ca 0.00 0.76 -0.25 0.00 0.00 0.00 0.00 61.98 62.48 2ek5 s VAL 68 Cb 0.00 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2ek5 s VAL 68 CO 0.00 0.51 1.26 -0.55 0.00 0.00 0.00 175.10 176.33 2ek5 s SER 69 N -0.56 6.30 0.52 3.32 0.15 -0.26 -4.58 113.70 118.60 2ek5 s SER 69 Ca 0.22 2.56 0.28 0.00 0.70 0.00 0.00 55.95 59.71 2ek5 s SER 69 Cb -0.15 -2.63 1.45 0.00 -1.71 0.00 0.00 66.02 62.97 2ek5 s SER 69 CO 0.11 -0.85 2.07 0.00 1.20 0.00 0.00 173.24 175.77 2ek5 h ALA 70 N 2.58 1.27 -0.37 5.45 0.00 -1.94 -1.72 119.26 124.53 2ek5 h ALA 70 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2ek5 h ALA 70 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ek5 h ALA 70 CO 0.62 0.15 0.00 0.94 0.00 0.00 0.00 179.25 180.96 2ek5 n GLN 71 N -3.62 1.94 -0.15 0.00 -0.06 -1.26 -4.48 117.38 109.74 2ek5 n GLN 71 Ca -0.02 -1.44 -0.04 0.00 -2.00 0.00 0.00 57.00 53.50 2ek5 n GLN 71 Cb 0.24 -1.34 0.05 0.00 -4.06 0.00 0.00 30.24 25.13 2ek5 n GLN 71 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ek5 h ALA 72 N 3.85 0.60 -0.51 1.69 0.00 -1.62 -0.86 119.26 122.40 2ek5 h ALA 72 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2ek5 h ALA 72 Cb 0.56 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2ek5 h ALA 72 CO 0.00 -0.17 0.16 -1.35 0.00 0.00 0.00 179.25 177.88 2ek5 h PRO 73 N 0.40 0.31 -0.51 0.00 0.11 -1.83 0.75 132.00 131.24 2ek5 h PRO 73 Ca 0.22 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 2ek5 h PRO 73 Cb 0.19 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 2ek5 h PRO 73 CO -0.20 0.21 0.14 0.00 -0.21 0.00 0.00 178.00 177.94 2ek5 h ALA 74 N 1.36 0.67 -0.66 -0.75 0.00 -1.81 -1.42 119.26 116.65 2ek5 h ALA 74 Ca 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ek5 h ALA 74 Cb 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2ek5 h ALA 74 CO -0.28 0.34 0.36 -0.07 0.00 0.00 0.00 179.25 179.60 2ek5 h LEU 75 N 0.70 0.82 -0.10 0.00 3.38 -0.36 0.12 115.31 119.87 2ek5 h LEU 75 Ca 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2ek5 h LEU 75 Cb 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ek5 h LEU 75 CO -0.00 0.68 0.02 0.40 0.09 0.00 0.00 178.44 179.63 2ek5 h ILE 76 N 0.90 1.20 -0.16 1.22 2.04 -0.78 -1.91 117.51 120.00 2ek5 h ILE 76 Ca 0.23 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2ek5 h ILE 76 Cb 0.04 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2ek5 h ILE 76 CO -0.04 0.17 -0.11 -0.09 0.00 0.00 0.00 178.15 178.08 2ek5 h ARG 77 N -0.04 -0.11 -0.77 2.37 9.65 -0.98 -1.19 114.38 123.31 2ek5 h ARG 77 Ca 0.03 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 2ek5 h ARG 77 Cb 0.25 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.81 2ek5 h ARG 77 CO 0.00 -0.08 0.48 0.93 2.80 0.00 0.00 179.97 184.11 2ek5 h GLU 78 N -0.12 0.90 -0.19 0.20 5.08 -0.66 0.13 114.58 119.92 2ek5 h GLU 78 Ca 0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2ek5 h GLU 78 Cb 0.26 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2ek5 h GLU 78 CO -0.24 0.59 0.03 -0.09 -1.00 0.00 0.00 179.01 178.31 2ek5 h ARG 79 N 0.93 0.32 -0.35 2.33 2.43 -0.97 -0.66 114.38 118.40 2ek5 h ARG 79 Ca 0.31 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2ek5 h ARG 79 Cb 0.05 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2ek5 h ARG 79 CO -0.12 0.48 0.02 0.00 -1.51 0.00 0.00 179.97 178.83 2ek5 h ARG 80 N 0.11 0.54 -0.45 0.20 3.08 -0.94 -0.44 114.38 116.48 2ek5 h ARG 80 Ca 0.06 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 2ek5 h ARG 80 Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2ek5 h ARG 80 CO 0.00 0.56 -0.20 -0.44 -1.07 0.00 0.00 179.97 178.82 2ek5 h ASP 81 N 0.52 0.91 -0.44 7.04 3.32 -0.52 -1.17 116.42 126.08 2ek5 h ASP 81 Ca 0.11 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.73 2ek5 h ASP 81 Cb 0.31 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2ek5 h ASP 81 CO 0.01 1.09 -0.10 0.00 -1.72 0.00 0.00 179.24 178.51 2ek5 h ALA 82 N 0.98 0.89 -0.25 3.45 0.00 -0.24 -0.37 119.26 123.72 2ek5 h ALA 82 Ca 0.11 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2ek5 h ALA 82 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2ek5 h ALA 82 CO 0.06 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.58 2ek5 h ALA 83 N 1.07 0.89 -0.23 0.00 0.00 -0.97 -0.47 119.26 119.54 2ek5 h ALA 83 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2ek5 h ALA 83 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2ek5 h ALA 83 CO 0.04 0.63 0.07 0.35 0.00 0.00 0.00 179.25 180.35 2ek5 h PHE 84 N 0.48 0.36 -0.08 0.00 3.57 -0.89 -0.41 116.94 119.97 2ek5 h PHE 84 Ca 0.05 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2ek5 h PHE 84 Cb 0.86 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2ek5 h PHE 84 CO 0.03 0.42 0.05 0.00 -2.23 0.00 0.00 178.31 176.58 2ek5 h ALA 85 N 0.90 0.11 -0.10 2.41 0.00 -0.80 -0.54 119.26 121.25 2ek5 h ALA 85 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2ek5 h ALA 85 Cb 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ek5 h ALA 85 CO -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 179.25 178.91 2ek5 h ALA 86 N 0.98 0.13 -0.25 0.00 0.00 -1.06 -0.36 119.26 118.69 2ek5 h ALA 86 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2ek5 h ALA 86 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ek5 h ALA 86 CO -0.01 -0.28 -0.06 1.15 0.00 0.00 0.00 179.25 180.06 2ek5 h THR 87 N -0.01 1.28 0.00 0.00 2.02 -1.03 -3.26 112.91 111.91 2ek5 h THR 87 Ca 0.03 -1.06 -0.19 0.00 0.77 0.00 0.00 66.41 65.96 2ek5 h THR 87 Cb 0.18 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 2ek5 h THR 87 CO -0.00 0.33 -2.12 -1.22 0.37 0.00 0.00 175.52 172.88 2ek5 n TYR 88 N -4.55 0.09 -0.12 3.16 4.02 -0.21 -4.66 117.16 114.88 2ek5 n TYR 88 Ca -0.04 0.03 -0.23 0.00 -0.01 0.00 0.00 57.90 57.65 2ek5 n TYR 88 Cb 0.30 -0.79 -0.10 0.00 -0.02 0.00 0.00 39.34 38.74 2ek5 n TYR 88 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2ek5 n VAL 89 N -2.54 1.37 -0.30 -0.72 0.31 -0.23 -4.30 118.33 111.92 2ek5 n VAL 89 Ca -0.18 -0.41 0.03 0.00 -0.01 0.00 0.00 64.34 63.77 2ek5 n VAL 89 Cb 0.87 -1.65 0.17 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.56 1.19 0.00 3.52 0.00 -1.37 -0.23 119.26 121.81 2ek5 h ALA 90 Ca -0.60 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2ek5 h ALA 90 Cb 1.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2ek5 h ALA 90 CO -0.27 0.11 -0.38 -1.35 0.00 0.00 0.00 179.25 177.36 2ek5 h PRO 91 N 0.81 0.00 -0.23 0.00 0.11 -1.82 0.54 132.00 131.40 2ek5 h PRO 91 Ca 0.40 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.46 2ek5 h PRO 91 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2ek5 h PRO 91 CO -0.25 0.38 -0.05 1.25 -0.21 0.00 0.00 178.00 179.12 2ek5 h LEU 92 N 0.00 0.44 -0.48 2.35 6.46 -1.34 -1.14 115.31 121.59 2ek5 h LEU 92 Ca -0.00 -0.36 -0.06 0.00 -0.12 0.00 0.00 57.88 57.33 2ek5 h LEU 92 Cb 0.69 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 2ek5 h LEU 92 CO 0.05 0.70 0.07 0.40 -0.62 0.00 0.00 178.44 179.04 2ek5 h ILE 93 N 0.17 1.25 -0.55 4.05 1.08 -0.75 -1.02 117.51 121.74 2ek5 h ILE 93 Ca 0.06 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.64 2ek5 h ILE 93 Cb 0.51 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.13 2ek5 h ILE 93 CO 0.02 0.33 0.29 0.44 -0.69 0.00 0.00 178.15 178.54 2ek5 h ASP 94 N 0.67 0.42 0.51 1.72 5.19 -0.78 -1.58 116.42 122.58 2ek5 h ASP 94 Ca 0.15 0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.43 2ek5 h ASP 94 Cb 0.40 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2ek5 h ASP 94 CO 0.01 0.28 -0.67 -0.08 -3.12 0.00 0.00 179.24 175.67 2ek5 h GLU 95 N 0.55 0.14 -0.11 3.56 4.57 -1.09 -2.23 114.58 119.97 2ek5 h GLU 95 Ca 0.24 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.20 2ek5 h GLU 95 Cb 0.14 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2ek5 h GLU 95 CO -0.16 0.75 -0.43 0.66 -1.18 0.00 0.00 179.01 178.66 2ek5 h SER 96 N 0.10 0.27 -0.11 1.04 4.64 -0.68 0.27 113.55 119.07 2ek5 h SER 96 Ca -0.01 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 2ek5 h SER 96 Cb 1.19 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2ek5 h SER 96 CO 0.10 0.67 -0.18 0.40 -0.87 0.00 0.00 176.83 176.95 2ek5 h ILE 97 N 0.21 1.38 -0.48 0.95 2.04 -1.21 0.19 117.51 120.59 2ek5 h ILE 97 Ca 0.02 -1.43 0.05 0.00 1.00 0.00 0.00 64.86 64.50 2ek5 h ILE 97 Cb 0.84 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.94 2ek5 h ILE 97 CO 0.07 0.41 0.21 -0.74 0.00 0.00 0.00 178.15 178.10 2ek5 h HIS 98 N -0.12 0.38 0.00 1.37 2.76 -1.20 -1.49 115.15 116.85 2ek5 h HIS 98 Ca 0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2ek5 h HIS 98 Cb 0.74 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2ek5 h HIS 98 CO 0.10 0.17 0.00 1.28 -1.30 0.00 0.00 177.93 178.18 2ek5 n LEU 99 N -4.94 0.22 -0.25 0.26 4.77 0.07 -4.93 117.00 112.19 2ek5 n LEU 99 Ca 0.04 0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 56.53 2ek5 n LEU 99 Cb 0.15 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2ek5 n LEU 99 CO 0.27 -0.08 -0.01 0.61 -1.33 0.00 0.00 177.39 176.85 2ek5 n GLY 100 N 1.27 0.40 3.80 -0.72 0.00 -0.56 -5.04 105.19 104.34 2ek5 n GLY 100 Ca 0.06 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.23 3.37 0.65 1.61 0.08 0.56 -5.02 117.98 117.00 2ek5 s PHE 101 Ca 0.01 1.66 -0.09 0.00 0.12 0.00 0.00 56.93 58.63 2ek5 s PHE 101 Cb -0.00 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.51 2ek5 s PHE 101 CO 0.01 -0.20 1.00 0.95 -0.10 0.00 0.00 175.22 176.88 2ek5 s THR 102 N -1.90 3.57 0.26 0.64 -4.23 -1.26 -4.75 115.64 107.97 2ek5 s THR 102 Ca 0.59 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 61.32 2ek5 s THR 102 Cb -0.15 -3.47 0.17 0.00 1.34 0.00 0.00 72.50 70.39 2ek5 s THR 102 CO 0.19 -0.55 1.83 -0.09 -0.54 0.00 0.00 174.62 175.46 2ek5 h ARG 103 N -0.43 0.96 -0.68 3.99 2.43 -1.98 -2.63 114.38 116.04 2ek5 h ARG 103 Ca -0.45 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 58.48 2ek5 h ARG 103 Cb 1.25 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2ek5 h ARG 103 CO 0.62 0.81 0.17 0.00 -1.51 0.00 0.00 179.97 180.06 2ek5 h ALA 104 N 1.31 1.01 -0.53 2.80 0.00 -2.00 -2.35 119.26 119.50 2ek5 h ALA 104 Ca 0.22 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2ek5 h ALA 104 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ek5 h ALA 104 CO -0.01 0.65 -0.02 -0.09 0.00 0.00 0.00 179.25 179.78 2ek5 h ARG 105 N 1.03 0.95 -0.52 0.00 9.65 -1.86 -1.34 114.38 122.28 2ek5 h ARG 105 Ca 0.22 -0.31 -0.11 0.00 -1.10 0.00 0.00 59.98 58.68 2ek5 h ARG 105 Cb 0.35 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 2ek5 h ARG 105 CO 0.00 0.97 -0.10 0.97 2.80 0.00 0.00 179.97 184.61 2ek5 h ILE 106 N 0.83 1.27 -0.20 1.20 6.09 -1.34 0.18 117.51 125.53 2ek5 h ILE 106 Ca 0.15 -1.24 -0.08 0.00 -1.37 0.00 0.00 64.86 62.33 2ek5 h ILE 106 Cb 0.55 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 38.80 2ek5 h ILE 106 CO 0.03 0.43 -0.21 0.45 -3.07 0.00 0.00 178.15 175.79 2ek5 h HIS 107 N 0.87 0.38 -0.18 2.19 3.86 -1.32 -1.62 115.15 119.34 2ek5 h HIS 107 Ca 0.14 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 2ek5 h HIS 107 Cb 0.65 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2ek5 h HIS 107 CO 0.04 0.54 -0.02 0.00 0.86 0.00 0.00 177.93 179.35 2ek5 h ALA 108 N 1.47 0.24 -0.99 2.45 0.00 -0.55 -2.51 119.26 119.37 2ek5 h ALA 108 Ca 0.05 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2ek5 h ALA 108 Cb 0.55 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2ek5 h ALA 108 CO 0.04 -0.02 0.64 -0.07 0.00 0.00 0.00 179.25 179.84 2ek5 h LEU 109 N 0.05 1.04 0.18 0.00 3.38 -0.39 -1.30 115.31 118.27 2ek5 h LEU 109 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2ek5 h LEU 109 Cb 0.44 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2ek5 h LEU 109 CO 0.01 0.68 -0.20 0.25 0.09 0.00 0.00 178.44 179.28 2ek5 h LEU 110 N 1.19 -0.53 -0.44 1.67 5.85 -1.11 -1.30 115.31 120.64 2ek5 h LEU 110 Ca 0.41 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.22 2ek5 h LEU 110 Cb 0.10 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2ek5 h LEU 110 CO -0.15 -0.29 0.22 0.44 -0.34 0.00 0.00 178.44 178.32 2ek5 h ASP 111 N -0.42 0.33 -0.83 1.25 3.32 -1.01 0.23 116.42 119.29 2ek5 h ASP 111 Ca 0.01 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2ek5 h ASP 111 Cb 0.40 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 2ek5 h ASP 111 CO -0.06 0.23 0.54 1.56 -1.72 0.00 0.00 179.24 179.79 2ek5 h GLN 112 N 0.44 1.06 -0.10 3.56 4.20 -1.04 2.17 115.11 125.41 2ek5 h GLN 112 Ca 0.19 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.66 2ek5 h GLN 112 Cb 0.09 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2ek5 h GLN 112 CO -0.13 0.70 -0.69 0.28 -0.67 0.00 0.00 178.83 178.33 2ek5 h VAL 113 N 1.09 1.37 -0.22 -0.54 2.07 -0.92 -2.92 116.25 116.17 2ek5 h VAL 113 Ca 0.32 -2.06 -0.20 0.00 0.82 0.00 0.00 66.70 65.58 2ek5 h VAL 113 Cb -0.07 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2ek5 h VAL 113 CO -0.09 0.62 -0.64 0.00 0.02 0.00 0.00 177.57 177.48 2ek5 h ALA 114 N 0.97 0.45 -0.41 1.67 0.00 0.31 -2.89 119.26 119.36 2ek5 h ALA 114 Ca -0.02 -0.55 0.12 0.00 0.00 0.00 0.00 54.91 54.46 2ek5 h ALA 114 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2ek5 h ALA 114 CO 0.12 0.69 0.35 1.49 0.00 0.00 0.00 179.25 181.90 2ek5 h GLU 115 N 0.57 0.00 -0.38 0.00 4.57 0.37 1.70 114.58 121.41 2ek5 h GLU 115 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2ek5 h GLU 115 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2ek5 h GLU 115 CO 0.13 0.00 0.00 -1.13 -1.18 0.00 0.00 179.01 176.83 2ek5 n SER 116 N -4.06 2.95 0.00 1.04 3.41 -1.11 -5.07 113.62 110.78 2ek5 n SER 116 Ca 0.07 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2ek5 n SER 116 Cb 0.54 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2ek5 n SER 116 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42