#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sx5 h LEU 3 N 0.00 -0.27 -0.25 1.04 5.85 -1.98 -0.88 115.31 118.81 1sx5 h LEU 3 Ca 0.00 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1sx5 h LEU 3 Cb 0.00 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1sx5 h LEU 3 CO 0.00 -0.13 0.04 -0.09 -0.34 0.00 0.00 178.44 177.92 1sx5 h ARG 4 N -0.14 0.12 -0.25 1.25 2.43 -1.99 0.22 114.38 116.03 1sx5 h ARG 4 Ca 0.05 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1sx5 h ARG 4 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1sx5 h ARG 4 CO -0.13 0.08 -0.34 0.66 -1.51 0.00 0.00 179.97 178.74 1sx5 h SER 5 N 0.13 0.55 0.56 -3.80 4.64 -1.95 -1.02 113.55 112.66 1sx5 h SER 5 Ca 0.12 -0.22 -0.13 0.00 -0.47 0.00 0.00 61.79 61.09 1sx5 h SER 5 Cb 0.13 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1sx5 h SER 5 CO -0.16 0.85 -0.59 0.44 -0.87 0.00 0.00 176.83 176.49 1sx5 h ASP 6 N 0.45 0.03 -0.06 4.97 3.32 -0.99 -1.49 116.42 122.65 1sx5 h ASP 6 Ca 0.05 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1sx5 h ASP 6 Cb 0.80 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1sx5 h ASP 6 CO 0.07 0.61 -0.27 0.25 -1.72 0.00 0.00 179.24 178.18 1sx5 h LEU 7 N 0.02 0.34 -0.52 1.55 5.85 -0.47 -1.20 115.31 120.88 1sx5 h LEU 7 Ca -0.01 -0.65 0.07 0.00 0.84 0.00 0.00 57.88 58.13 1sx5 h LEU 7 Cb 1.05 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1sx5 h LEU 7 CO 0.08 0.93 0.20 0.40 -0.34 0.00 0.00 178.44 179.71 1sx5 h ILE 8 N -0.24 0.84 -0.47 4.05 2.04 -1.11 0.14 117.51 122.76 1sx5 h ILE 8 Ca -0.02 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1sx5 h ILE 8 Cb 0.93 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1sx5 h ILE 8 CO 0.06 0.07 0.14 0.78 0.00 0.00 0.00 178.15 179.19 1sx5 h ASN 9 N 0.39 0.70 -0.53 1.72 2.35 -1.26 -0.47 115.58 118.48 1sx5 h ASN 9 Ca 0.25 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1sx5 h ASN 9 Cb 0.26 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1sx5 h ASN 9 CO -0.24 0.74 0.00 0.00 -1.65 0.00 0.00 177.43 176.28 1sx5 h ALA 10 N 0.99 0.71 -0.31 -0.83 0.00 -0.72 -1.68 119.26 117.42 1sx5 h ALA 10 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sx5 h ALA 10 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sx5 h ALA 10 CO -0.00 0.53 0.20 -0.07 0.00 0.00 0.00 179.25 179.91 1sx5 h LEU 11 N 0.80 0.35 -0.00 0.00 3.38 -0.60 0.93 115.31 120.17 1sx5 h LEU 11 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sx5 h LEU 11 Cb 0.52 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sx5 h LEU 11 CO 0.03 0.25 0.00 1.88 0.09 0.00 0.00 178.44 180.69 1sx5 h TYR 12 N 0.42 0.00 -0.28 1.13 0.05 -0.95 -1.95 116.97 115.39 1sx5 h TYR 12 Ca 0.11 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.93 1sx5 h TYR 12 Cb -0.04 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1sx5 h TYR 12 CO -0.06 0.03 0.06 0.22 -1.05 0.00 0.00 178.16 177.36 1sx5 h ASP 13 N -0.02 0.03 -0.25 3.88 -0.00 -1.00 -0.14 116.42 118.91 1sx5 h ASP 13 Ca 0.00 0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 57.05 1sx5 h ASP 13 Cb 0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 39.39 1sx5 h ASP 13 CO -0.00 0.05 0.07 -0.08 -0.00 0.00 0.00 179.24 179.28 1sx5 h GLU 14 N 0.17 0.40 -0.91 0.28 4.57 -0.79 -0.23 114.58 118.07 1sx5 h GLU 14 Ca 0.13 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1sx5 h GLU 14 Cb 0.12 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.60 1sx5 h GLU 14 CO -0.16 0.50 0.57 -0.97 -1.18 0.00 0.00 179.01 177.77 1sx5 h ASN 15 N 0.24 0.90 -0.67 1.04 -1.24 -1.20 -1.06 115.58 113.59 1sx5 h ASN 15 Ca 0.08 0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 1sx5 h ASN 15 Cb 0.27 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1sx5 h ASN 15 CO 0.00 0.57 0.14 1.56 -1.29 0.00 0.00 177.43 178.41 1sx5 h GLN 16 N 1.03 1.09 0.06 6.67 1.08 -0.42 -3.31 115.11 121.32 1sx5 h GLN 16 Ca 0.40 -0.27 -0.27 0.00 -1.45 0.00 0.00 58.65 57.06 1sx5 h GLN 16 Cb 0.20 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1sx5 h GLN 16 CO -0.18 0.98 -1.33 0.87 -0.95 0.00 0.00 178.83 178.22 1sx5 h LYS 17 N 1.03 0.13 -6.30 1.46 6.56 -0.34 -3.47 116.57 115.63 1sx5 h LYS 17 Ca 0.21 -0.21 -0.63 0.00 -1.06 0.00 0.00 60.65 58.95 1sx5 h LYS 17 Cb 0.40 0.08 -0.27 0.00 -0.57 0.00 0.00 32.23 31.87 1sx5 h LYS 17 CO 0.01 0.99 -0.86 0.71 -2.06 0.00 0.00 179.45 178.23 1sx5 s TYR 18 N -2.65 2.02 -0.19 -1.35 2.02 -0.47 -5.11 117.35 111.62 1sx5 s TYR 18 Ca -0.04 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1sx5 s TYR 18 Cb 0.08 -1.24 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 1sx5 s TYR 18 CO 0.84 0.05 -0.14 -0.51 -1.57 0.00 0.00 175.55 174.22 1sx5 s ASP 19 N -0.95 3.26 0.23 2.29 -0.00 -1.26 -4.69 116.67 115.56 1sx5 s ASP 19 Ca 0.09 -0.78 -0.30 0.00 -0.00 0.00 0.00 52.55 51.57 1sx5 s ASP 19 Cb -0.09 -1.33 -0.09 0.00 -0.00 0.00 0.00 42.92 41.41 1sx5 s ASP 19 CO 0.01 -0.09 1.26 0.68 -0.00 0.00 0.00 175.17 177.03 1sx5 s VAL 20 N 1.35 3.23 0.00 -1.27 -7.23 -1.26 -4.94 120.40 110.28 1sx5 s VAL 20 Ca 0.01 1.08 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 1sx5 s VAL 20 Cb -0.15 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1sx5 s VAL 20 CO -0.10 0.19 0.36 0.00 -0.31 0.00 0.00 175.10 175.25 1sx5 n GLY 22 N -0.06 -0.70 3.70 0.00 0.00 -1.26 -4.12 105.19 102.74 1sx5 n GLY 22 Ca 0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1sx5 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sx5 s ILE 23 N -2.00 4.07 -0.01 -0.61 -4.36 0.07 -4.92 121.20 113.43 1sx5 s ILE 23 Ca 0.00 -0.98 0.06 0.00 -0.26 0.00 0.00 60.65 59.47 1sx5 s ILE 23 Cb 0.00 -2.95 -0.02 0.00 1.25 0.00 0.00 42.46 40.74 1sx5 s ILE 23 CO 0.00 0.11 -0.21 -0.51 0.24 0.00 0.00 174.94 174.57 1sx5 s ILE 24 N -1.34 1.62 0.28 8.37 2.07 -1.26 -0.76 121.20 130.18 1sx5 s ILE 24 Ca 0.26 -0.89 -0.03 0.00 -1.41 0.00 0.00 60.65 58.58 1sx5 s ILE 24 Cb -0.12 -1.35 -0.04 0.00 0.13 0.00 0.00 42.46 41.08 1sx5 s ILE 24 CO 0.19 0.45 0.52 -0.94 -1.91 0.00 0.00 174.94 173.24 1sx5 s SER 25 N -0.52 6.39 0.62 4.50 1.04 -0.16 -4.96 113.70 120.61 1sx5 s SER 25 Ca 0.08 0.58 0.28 0.00 0.48 0.00 0.00 55.95 57.37 1sx5 s SER 25 Cb -0.08 -2.09 1.48 0.00 0.10 0.00 0.00 66.02 65.43 1sx5 s SER 25 CO -0.01 -0.19 1.87 0.00 0.98 0.00 0.00 173.24 175.90 1sx5 h ALA 26 N 1.52 1.92 -0.04 5.32 0.00 -2.01 0.44 119.26 126.41 1sx5 h ALA 26 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sx5 h ALA 26 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1sx5 h ALA 26 CO 0.65 -0.61 0.00 -0.85 0.00 0.00 0.00 179.25 178.44 1sx5 n GLU 27 N -3.41 1.27 -0.78 0.00 -0.00 -1.26 -4.92 120.64 111.53 1sx5 n GLU 27 Ca 0.05 -0.40 0.00 0.00 -0.00 0.00 0.00 57.16 56.81 1sx5 n GLU 27 Cb 0.60 -1.41 0.00 0.00 -0.00 0.00 0.00 31.44 30.63 1sx5 n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sx5 n GLY 28 N 0.99 0.68 3.80 -1.84 0.00 0.16 -5.04 105.19 103.94 1sx5 n GLY 28 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1sx5 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sx5 s LYS 29 N -0.22 4.20 -0.12 1.61 2.36 -1.25 -4.19 119.74 122.13 1sx5 s LYS 29 Ca 0.00 0.71 -0.01 0.00 -2.55 0.00 0.00 55.97 54.11 1sx5 s LYS 29 Cb 0.00 -3.26 -0.03 0.00 -1.05 0.00 0.00 37.83 33.49 1sx5 s LYS 29 CO 0.00 0.58 -0.06 0.42 1.55 0.00 0.00 175.35 177.84 1sx5 s ILE 30 N -0.90 3.73 -0.18 5.43 1.01 -0.20 -0.99 121.20 129.10 1sx5 s ILE 30 Ca 0.29 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 1sx5 s ILE 30 Cb -0.19 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1sx5 s ILE 30 CO 0.18 0.54 -0.08 -0.31 0.00 0.00 0.00 174.94 175.27 1sx5 s TYR 31 N -0.13 2.90 1.01 3.97 1.51 0.06 -1.22 117.35 125.45 1sx5 s TYR 31 Ca 0.02 -0.86 -0.12 0.00 -1.01 0.00 0.00 57.07 55.10 1sx5 s TYR 31 Cb -0.13 -2.00 0.20 0.00 -0.11 0.00 0.00 41.96 39.92 1sx5 s TYR 31 CO 0.03 -0.43 1.08 -2.14 -1.11 0.00 0.00 175.55 172.98 1sx5 s PRO 32 N 1.02 0.28 0.16 -1.71 0.02 -1.26 -0.75 135.00 132.76 1sx5 s PRO 32 Ca -0.00 0.83 -0.21 0.00 0.02 0.00 0.00 61.00 61.64 1sx5 s PRO 32 Cb -0.15 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 1sx5 s PRO 32 CO -0.01 -2.91 0.68 -0.51 -0.33 0.00 0.00 177.00 173.92 1sx5 s LEU 33 N -6.66 4.47 0.00 -5.54 1.43 -1.26 -4.74 118.68 106.38 1sx5 s LEU 33 Ca 0.66 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1sx5 s LEU 33 Cb -0.21 -3.28 0.09 0.00 0.03 0.00 0.00 46.19 42.82 1sx5 s LEU 33 CO 0.60 0.16 0.68 0.61 0.23 0.00 0.00 176.35 178.62 1sx5 n GLY 34 N 1.26 1.00 0.70 -3.19 0.00 -1.26 -4.59 105.19 99.11 1sx5 n GLY 34 Ca -0.06 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 44.02 1sx5 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sx5 n SER 35 N -2.83 2.41 -4.71 1.61 3.41 -1.26 -4.73 113.62 107.52 1sx5 n SER 35 Ca 0.12 -1.71 -0.42 0.00 -0.26 0.00 0.00 58.87 56.60 1sx5 n SER 35 Cb 0.42 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1sx5 n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sx5 n ASP 36 N 0.58 2.81 -0.33 4.04 -0.08 -1.26 -4.83 116.55 117.47 1sx5 n ASP 36 Ca 0.12 1.17 0.14 0.00 -1.51 0.00 0.00 54.79 54.71 1sx5 n ASP 36 Cb 0.52 -1.51 0.33 0.00 2.34 0.00 0.00 41.12 42.80 1sx5 n ASP 36 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1sx5 h THR 37 N 2.41 0.60 -0.76 5.18 2.02 -2.02 0.25 112.91 120.58 1sx5 h THR 37 Ca -0.47 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 66.61 1sx5 h THR 37 Cb 1.28 -0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1sx5 h THR 37 CO 0.62 0.11 0.50 0.00 0.37 0.00 0.00 175.52 177.12 1sx5 h ALA 38 N 1.68 1.89 -0.27 6.16 0.00 -1.99 -2.59 119.26 124.15 1sx5 h ALA 38 Ca 0.59 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1sx5 h ALA 38 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1sx5 h ALA 38 CO -0.45 -0.07 0.09 0.28 0.00 0.00 0.00 179.25 179.11 1sx5 h VAL 39 N 0.60 1.19 -0.26 0.00 2.07 -0.84 -1.90 116.25 117.12 1sx5 h VAL 39 Ca 0.36 -0.59 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 1sx5 h VAL 39 Cb 0.58 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1sx5 h VAL 39 CO -0.13 0.20 -0.47 -0.07 0.02 0.00 0.00 177.57 177.11 1sx5 h LEU 40 N 0.27 0.86 -0.21 2.57 -0.00 -1.53 -1.40 115.31 115.87 1sx5 h LEU 40 Ca 0.09 -0.53 0.04 0.00 -0.00 0.00 0.00 57.88 57.48 1sx5 h LEU 40 Cb 0.22 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.58 1sx5 h LEU 40 CO -0.00 1.23 -0.08 -1.28 -0.00 0.00 0.00 178.44 178.31 1sx5 h SER 41 N 0.52 -0.26 -0.43 -0.43 0.87 -1.43 -1.49 113.55 110.89 1sx5 h SER 41 Ca 0.01 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1sx5 h SER 41 Cb 1.08 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1sx5 h SER 41 CO 0.11 -0.10 0.18 0.71 -0.53 0.00 0.00 176.83 177.20 1sx5 h THR 42 N -0.04 1.19 -0.30 2.23 1.35 -1.20 -2.46 112.91 113.68 1sx5 h THR 42 Ca 0.11 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 1sx5 h THR 42 Cb 0.20 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 1sx5 h THR 42 CO -0.23 0.22 0.13 0.40 -0.25 0.00 0.00 175.52 175.78 1sx5 h ILE 43 N 0.55 1.17 -0.17 6.82 5.03 -0.96 -1.50 117.51 128.45 1sx5 h ILE 43 Ca 0.14 -0.51 -0.08 0.00 -0.12 0.00 0.00 64.86 64.30 1sx5 h ILE 43 Cb 0.17 0.94 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 1sx5 h ILE 43 CO -0.01 0.18 -0.24 -0.26 -0.68 0.00 0.00 178.15 177.13 1sx5 h PHE 44 N 0.35 0.34 -0.13 1.37 0.04 -1.21 -0.60 116.94 117.10 1sx5 h PHE 44 Ca 0.10 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1sx5 h PHE 44 Cb 0.16 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 1sx5 h PHE 44 CO -0.01 0.54 0.01 1.49 -0.60 0.00 0.00 178.31 179.73 1sx5 h GLU 45 N 0.28 0.22 -0.95 1.51 4.81 -1.17 -2.27 114.58 117.02 1sx5 h GLU 45 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1sx5 h GLU 45 Cb 0.58 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1sx5 h GLU 45 CO 0.04 0.44 0.59 -0.07 -0.73 0.00 0.00 179.01 179.29 1sx5 h LEU 46 N -0.03 1.12 -1.14 1.64 3.38 -0.99 -2.43 115.31 116.85 1sx5 h LEU 46 Ca 0.04 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1sx5 h LEU 46 Cb 0.34 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1sx5 h LEU 46 CO 0.01 0.84 0.58 0.15 0.09 0.00 0.00 178.44 180.11 1sx5 h PHE 47 N 1.30 1.07 0.00 1.13 3.57 -1.02 -2.81 116.94 120.17 1sx5 h PHE 47 Ca 0.34 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 1sx5 h PHE 47 Cb -0.09 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.28 1sx5 h PHE 47 CO 0.00 0.61 -0.26 0.77 -2.23 0.00 0.00 178.31 177.20 1sx5 h SER 48 N 1.09 0.00 -0.21 0.41 0.02 -0.92 -3.37 113.55 110.57 1sx5 h SER 48 Ca 0.36 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.36 1sx5 h SER 48 Cb 0.06 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 1sx5 h SER 48 CO -0.11 0.26 -0.15 0.03 -1.14 0.00 0.00 176.83 175.72 1sx5 h ARG 49 N 0.00 -0.14 -0.29 3.45 3.08 -1.24 -0.67 114.38 118.57 1sx5 h ARG 49 Ca -0.00 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1sx5 h ARG 49 Cb 1.04 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1sx5 h ARG 49 CO 0.03 -0.09 -0.12 -1.35 -1.07 0.00 0.00 179.97 177.37 1sx5 h PRO 50 N -0.15 0.50 -0.11 0.04 0.11 -1.75 -1.73 132.00 128.92 1sx5 h PRO 50 Ca 0.12 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1sx5 h PRO 50 Cb 0.33 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1sx5 h PRO 50 CO -0.30 0.61 0.06 0.82 -0.21 0.00 0.00 178.00 178.98 1sx5 h ILE 51 N 0.46 1.09 -0.65 4.15 2.04 -1.66 -1.63 117.51 121.32 1sx5 h ILE 51 Ca 0.09 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1sx5 h ILE 51 Cb 0.48 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1sx5 h ILE 51 CO 0.03 0.08 0.10 0.40 0.00 0.00 0.00 178.15 178.76 1sx5 h ILE 52 N 0.08 1.26 -0.17 -0.67 2.04 -0.86 -2.12 117.51 117.07 1sx5 h ILE 52 Ca 0.04 -1.02 -0.16 0.00 1.00 0.00 0.00 64.86 64.72 1sx5 h ILE 52 Cb 0.08 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1sx5 h ILE 52 CO -0.01 0.38 -0.57 -1.13 0.00 0.00 0.00 178.15 176.83 1sx5 h ASN 53 N 0.99 0.58 -0.19 1.72 -0.73 -1.19 -1.73 115.58 115.03 1sx5 h ASN 53 Ca 0.20 -0.32 -0.01 0.00 1.87 0.00 0.00 56.30 58.04 1sx5 h ASN 53 Cb 0.43 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1sx5 h ASN 53 CO 0.01 1.03 0.07 0.50 -0.37 0.00 0.00 177.43 178.67 1sx5 h LYS 54 N 0.40 0.30 -0.31 6.67 3.64 -1.07 -0.73 116.57 125.45 1sx5 h LYS 54 Ca 0.00 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1sx5 h LYS 54 Cb 1.11 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1sx5 h LYS 54 CO 0.10 0.39 -0.39 0.82 -2.27 0.00 0.00 179.45 178.10 1sx5 h ILE 55 N 0.15 1.29 -0.33 2.00 1.08 -1.38 -2.08 117.51 118.23 1sx5 h ILE 55 Ca 0.06 -1.56 -0.00 0.00 -0.39 0.00 0.00 64.86 62.97 1sx5 h ILE 55 Cb 0.21 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 1sx5 h ILE 55 CO -0.00 0.51 0.20 0.00 -0.69 0.00 0.00 178.15 178.17 1sx5 h ALA 56 N 0.94 0.42 -0.49 1.87 0.00 -1.19 -2.39 119.26 118.43 1sx5 h ALA 56 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1sx5 h ALA 56 Cb 0.94 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sx5 h ALA 56 CO 0.09 -0.08 -0.02 0.93 0.00 0.00 0.00 179.25 180.16 1sx5 h GLU 57 N 0.43 0.84 -0.67 0.00 4.39 -1.07 0.23 114.58 118.73 1sx5 h GLU 57 Ca 0.12 -0.24 0.09 0.00 0.34 0.00 0.00 59.36 59.66 1sx5 h GLU 57 Cb -0.00 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1sx5 h GLU 57 CO -0.02 0.86 0.45 -0.22 -1.16 0.00 0.00 179.01 178.91 1sx5 h LYS 58 N 0.78 0.57 -0.41 2.33 3.64 -1.05 -1.77 116.57 120.64 1sx5 h LYS 58 Ca 0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1sx5 h LYS 58 Cb 0.50 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1sx5 h LYS 58 CO 0.03 0.38 0.00 0.72 -2.27 0.00 0.00 179.45 178.30 1sx5 n HIS 59 N -4.48 0.55 -1.00 1.91 8.25 -0.65 -4.92 115.22 114.88 1sx5 n HIS 59 Ca 0.11 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1sx5 n HIS 59 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1sx5 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sx5 n GLY 60 N 1.28 0.46 3.85 -1.41 0.00 -0.67 -5.02 105.19 103.69 1sx5 n GLY 60 Ca 0.17 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1sx5 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sx5 s TYR 61 N -2.00 3.67 0.29 1.61 2.02 0.73 -4.42 117.35 119.25 1sx5 s TYR 61 Ca 0.00 0.82 -0.16 0.00 -0.37 0.00 0.00 57.07 57.36 1sx5 s TYR 61 Cb 0.00 -2.16 -0.09 0.00 -0.40 0.00 0.00 41.96 39.31 1sx5 s TYR 61 CO 0.00 0.65 0.72 0.42 -1.57 0.00 0.00 175.55 175.78 1sx5 s ILE 62 N -1.12 4.66 -0.11 2.71 1.01 -0.18 -3.73 121.20 124.44 1sx5 s ILE 62 Ca 0.23 1.01 0.03 0.00 0.00 0.00 0.00 60.65 61.92 1sx5 s ILE 62 Cb -0.15 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 1sx5 s ILE 62 CO 0.12 -0.09 -0.22 -0.69 0.00 0.00 0.00 174.94 174.06 1sx5 s VAL 63 N -1.87 2.26 -0.08 2.92 1.01 -1.26 -2.25 120.40 121.14 1sx5 s VAL 63 Ca 0.51 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1sx5 s VAL 63 Cb -0.12 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1sx5 s VAL 63 CO 0.18 0.55 -0.08 -0.70 0.00 0.00 0.00 175.10 175.06 1sx5 s GLU 64 N 0.34 1.39 0.35 2.72 2.12 0.09 -4.97 118.70 120.74 1sx5 s GLU 64 Ca -0.17 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 54.92 1sx5 s GLU 64 Cb -0.18 -1.35 -0.03 0.00 0.26 0.00 0.00 34.13 32.83 1sx5 s GLU 64 CO 0.08 -0.15 0.55 -1.21 -0.54 0.00 0.00 175.26 174.00 1sx5 s GLU 65 N 1.27 3.43 0.33 4.30 2.02 -1.26 -0.74 118.70 128.06 1sx5 s GLU 65 Ca -0.04 -0.38 -0.29 0.00 0.02 0.00 0.00 54.97 54.28 1sx5 s GLU 65 Cb -0.14 -2.66 -0.11 0.00 0.10 0.00 0.00 34.13 31.32 1sx5 s GLU 65 CO -0.03 0.11 1.56 -2.30 0.02 0.00 0.00 175.26 174.62 1sx5 n PRO 66 N -1.80 2.73 0.00 0.39 -0.02 -1.26 -4.85 135.00 130.19 1sx5 n PRO 66 Ca -0.04 0.97 0.13 0.00 -2.02 0.00 0.00 63.50 62.53 1sx5 n PRO 66 Cb 0.56 -2.73 0.30 0.00 -0.02 0.00 0.00 33.50 31.61 1sx5 n PRO 66 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sx5 n LYS 67 N 1.37 1.56 -4.56 -0.52 4.76 -1.26 -4.83 118.16 114.68 1sx5 n LYS 67 Ca 0.05 -1.09 -0.21 0.00 -2.87 0.00 0.00 58.31 54.19 1sx5 n LYS 67 Cb 0.38 -1.48 -0.15 0.00 -1.84 0.00 0.00 35.03 31.94 1sx5 n LYS 67 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1sx5 s GLN 68 N -2.20 1.03 0.90 1.97 0.00 -1.26 -5.15 119.66 114.96 1sx5 s GLN 68 Ca 0.29 -0.49 -0.12 0.00 -0.00 0.00 0.00 55.36 55.05 1sx5 s GLN 68 Cb 0.20 -1.00 0.13 0.00 0.00 0.00 0.00 33.01 32.34 1sx5 s GLN 68 CO 0.41 0.27 1.10 -0.65 0.00 0.00 0.00 175.29 176.42 1sx5 s GLN 69 N -0.38 1.23 -1.31 9.60 -0.21 -1.26 -3.91 119.66 123.41 1sx5 s GLN 69 Ca 0.05 0.69 -0.10 0.00 0.02 0.00 0.00 55.36 56.01 1sx5 s GLN 69 Cb -0.05 -1.82 0.08 0.00 1.00 0.00 0.00 33.01 32.22 1sx5 s GLN 69 CO -0.00 -2.22 0.52 0.27 -2.12 0.00 0.00 175.29 171.73 1sx5 n ASN 70 N -3.85 -3.61 -4.15 5.90 0.23 -1.26 -4.98 115.26 103.54 1sx5 n ASN 70 Ca 0.07 -0.45 -0.27 0.00 -0.53 0.00 0.00 54.58 53.40 1sx5 n ASN 70 Cb 0.56 -2.99 -0.16 0.00 -2.08 0.00 0.00 39.78 35.12 1sx5 n ASN 70 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1sx5 s HIS 71 N -2.95 1.78 0.28 -2.53 3.76 -1.25 -4.79 115.29 109.59 1sx5 s HIS 71 Ca 0.43 -0.50 -0.13 0.00 -0.15 0.00 0.00 55.06 54.72 1sx5 s HIS 71 Cb -0.23 -1.19 -0.08 0.00 1.11 0.00 0.00 32.58 32.18 1sx5 s HIS 71 CO 0.54 -0.16 0.65 -0.47 -0.85 0.00 0.00 174.74 174.45 1sx5 s TYR 72 N -0.01 3.40 0.44 1.40 6.14 -0.33 -4.65 117.35 123.74 1sx5 s TYR 72 Ca -0.03 1.06 0.08 0.00 0.64 0.00 0.00 57.07 58.82 1sx5 s TYR 72 Cb -0.11 -2.41 0.01 0.00 0.42 0.00 0.00 41.96 39.87 1sx5 s TYR 72 CO 0.02 0.17 0.55 -1.25 0.64 0.00 0.00 175.55 175.68 1sx5 s PRO 73 N -2.92 2.68 0.27 4.97 0.04 -1.26 -0.59 135.00 138.20 1sx5 s PRO 73 Ca 0.51 -1.38 -0.01 0.00 0.04 0.00 0.00 61.00 60.17 1sx5 s PRO 73 Cb -0.11 -2.64 0.48 0.00 0.04 0.00 0.00 34.50 32.27 1sx5 s PRO 73 CO 0.19 -0.33 1.86 -0.44 0.04 0.00 0.00 177.00 178.32 1sx5 h ASP 74 N 0.67 0.99 -3.59 6.66 3.32 -1.80 -3.39 116.42 119.28 1sx5 h ASP 74 Ca -0.39 0.03 -0.32 0.00 0.02 0.00 0.00 57.03 56.36 1sx5 h ASP 74 Cb 1.28 -0.18 -0.32 0.00 0.22 0.00 0.00 39.33 40.33 1sx5 h ASP 74 CO 0.48 0.58 -0.74 -0.36 -1.72 0.00 0.00 179.24 177.47 1sx5 s PHE 75 N -6.00 0.29 -0.17 4.55 0.08 -0.16 -4.30 117.98 112.27 1sx5 s PHE 75 Ca -0.12 -0.01 -0.02 0.00 0.12 0.00 0.00 56.93 56.89 1sx5 s PHE 75 Cb 0.21 -0.33 -0.01 0.00 -0.57 0.00 0.00 43.02 42.32 1sx5 s PHE 75 CO 0.81 -0.09 -0.09 0.99 -0.10 0.00 0.00 175.22 176.74 1sx5 s THR 76 N 0.69 3.24 -0.06 0.64 2.01 0.08 -0.70 115.64 121.55 1sx5 s THR 76 Ca -0.07 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.42 1sx5 s THR 76 Cb -0.10 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.98 1sx5 s THR 76 CO -0.01 0.48 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.41 1sx5 s LEU 77 N 0.80 2.20 -0.27 4.42 1.02 0.62 -0.73 118.68 126.75 1sx5 s LEU 77 Ca -0.03 -0.45 -0.25 0.00 0.02 0.00 0.00 54.13 53.42 1sx5 s LEU 77 Cb -0.15 -1.41 0.09 0.00 0.02 0.00 0.00 46.19 44.74 1sx5 s LEU 77 CO 0.01 0.26 0.84 -0.72 0.02 0.00 0.00 176.35 176.77 1sx5 s TYR 78 N -0.26 -0.66 0.23 0.29 1.13 -0.95 -0.19 117.35 116.94 1sx5 s TYR 78 Ca -0.00 1.58 -0.30 0.00 -1.41 0.00 0.00 57.07 56.94 1sx5 s TYR 78 Cb -0.13 0.31 -0.09 0.00 -1.10 0.00 0.00 41.96 40.96 1sx5 s TYR 78 CO 0.03 -0.33 1.00 0.15 -2.51 0.00 0.00 175.55 173.89 1sx5 s LYS 79 N 0.24 4.75 0.30 -3.49 1.02 -1.26 -1.01 119.74 120.29 1sx5 s LYS 79 Ca 0.01 1.60 0.06 0.00 0.02 0.00 0.00 55.97 57.66 1sx5 s LYS 79 Cb -0.05 -3.27 0.77 0.00 -0.52 0.00 0.00 37.83 34.76 1sx5 s LYS 79 CO -0.01 0.35 1.74 -1.35 -0.92 0.00 0.00 175.35 175.15 1sx5 h PRO 80 N 4.33 0.56 -0.46 -1.68 0.11 -1.98 -2.26 132.00 130.62 1sx5 h PRO 80 Ca -0.45 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1sx5 h PRO 80 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1sx5 h PRO 80 CO 0.69 0.37 -0.24 0.66 -0.21 0.00 0.00 178.00 179.27 1sx5 h SER 81 N 0.58 0.98 -3.05 -2.05 4.64 -1.95 -3.35 113.55 109.36 1sx5 h SER 81 Ca 0.59 -0.38 -0.73 0.00 -0.47 0.00 0.00 61.79 60.80 1sx5 h SER 81 Cb 1.04 -0.27 -0.33 0.00 -0.31 0.00 0.00 62.40 62.52 1sx5 h SER 81 CO -0.45 1.16 0.16 -0.62 -0.87 0.00 0.00 176.83 176.21 1sx5 n GLU 82 N -4.10 3.28 0.19 4.77 4.71 -0.85 -4.88 120.64 123.76 1sx5 n GLU 82 Ca -0.00 -4.53 0.04 0.00 -0.01 0.00 0.00 57.16 52.65 1sx5 n GLU 82 Cb 0.47 -2.44 0.36 0.00 -1.01 0.00 0.00 31.44 28.82 1sx5 n GLU 82 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1sx5 h PRO 83 N 5.62 0.00 -0.08 3.49 0.13 -1.70 -2.80 132.00 136.66 1sx5 h PRO 83 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1sx5 h PRO 83 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1sx5 h PRO 83 CO 1.01 0.39 0.00 0.09 -0.23 0.00 0.00 178.00 179.26 1sx5 n ASN 84 N -3.84 0.44 -2.86 1.44 5.03 -1.26 -3.91 115.26 110.29 1sx5 n ASN 84 Ca -0.01 -1.91 -0.25 0.00 0.87 0.00 0.00 54.58 53.29 1sx5 n ASN 84 Cb 0.45 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 39.14 1sx5 n ASN 84 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1sx5 n LYS 85 N -0.31 2.80 -2.39 3.52 5.02 -1.06 -4.53 118.16 121.22 1sx5 n LYS 85 Ca 0.05 -4.46 -0.31 0.00 -2.02 0.00 0.00 58.31 51.57 1sx5 n LYS 85 Cb 0.08 -2.10 -0.02 0.00 -0.02 0.00 0.00 35.03 32.97 1sx5 n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sx5 s LYS 86 N -3.31 3.82 -0.14 1.97 1.02 0.10 -4.69 119.74 118.52 1sx5 s LYS 86 Ca 0.46 0.78 0.01 0.00 0.02 0.00 0.00 55.97 57.24 1sx5 s LYS 86 Cb 0.33 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 1sx5 s LYS 86 CO -0.13 -0.29 -0.18 0.42 -0.92 0.00 0.00 175.35 174.25 1sx5 s ILE 87 N -2.70 2.42 -0.16 2.17 1.01 0.74 0.59 121.20 125.27 1sx5 s ILE 87 Ca 0.56 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1sx5 s ILE 87 Cb -0.10 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1sx5 s ILE 87 CO 0.37 0.53 0.19 0.00 0.00 0.00 0.00 174.94 176.03 1sx5 s ALA 88 N 0.71 3.69 -0.11 9.38 0.00 -0.62 -0.28 121.76 134.53 1sx5 s ALA 88 Ca -0.08 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1sx5 s ALA 88 Cb -0.16 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.77 1sx5 s ALA 88 CO 0.01 0.24 -0.09 0.42 0.00 0.00 0.00 175.76 176.34 1sx5 s ILE 89 N 0.08 1.10 -0.04 0.00 1.01 0.12 0.30 121.20 123.76 1sx5 s ILE 89 Ca 0.13 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.48 1sx5 s ILE 89 Cb -0.12 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 1sx5 s ILE 89 CO 0.02 0.38 -0.20 -0.62 0.00 0.00 0.00 174.94 174.52 1sx5 s ASP 90 N 1.54 2.41 0.02 3.58 2.15 -0.11 -0.99 116.67 125.27 1sx5 s ASP 90 Ca 0.02 -0.39 -0.19 0.00 0.43 0.00 0.00 52.55 52.41 1sx5 s ASP 90 Cb -0.13 -0.61 -0.06 0.00 -0.30 0.00 0.00 42.92 41.82 1sx5 s ASP 90 CO -0.07 0.19 0.57 -0.63 -0.17 0.00 0.00 175.17 175.06 1sx5 s ILE 91 N -0.09 4.86 0.04 4.11 -1.09 -1.26 -1.14 121.20 126.63 1sx5 s ILE 91 Ca -0.02 1.19 0.01 0.00 -2.23 0.00 0.00 60.65 59.60 1sx5 s ILE 91 Cb -0.11 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 1sx5 s ILE 91 CO 0.02 0.48 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.62 1sx5 s LYS 92 N -0.60 0.50 0.05 2.79 -0.14 -0.20 -4.94 119.74 117.20 1sx5 s LYS 92 Ca 0.29 -0.81 0.02 0.00 -1.36 0.00 0.00 55.97 54.11 1sx5 s LYS 92 Cb -0.19 -0.12 -0.03 0.00 -1.68 0.00 0.00 37.83 35.82 1sx5 s LYS 92 CO 0.17 -0.00 -0.06 0.99 -0.76 0.00 0.00 175.35 175.69 1sx5 s THR 93 N -1.84 0.48 0.30 2.17 2.01 -1.26 -0.86 115.64 116.63 1sx5 s THR 93 Ca -0.08 -1.27 -0.17 0.00 0.31 0.00 0.00 61.69 60.48 1sx5 s THR 93 Cb -0.07 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.63 1sx5 s THR 93 CO -0.01 -0.54 0.66 0.28 -0.69 0.00 0.00 174.62 174.31 1sx5 s THR 94 N -2.01 0.00 0.36 -0.82 -1.32 -0.61 -4.84 115.64 106.40 1sx5 s THR 94 Ca -0.05 -1.15 0.07 0.00 -1.21 0.00 0.00 61.69 59.35 1sx5 s THR 94 Cb -0.06 -2.28 -0.07 0.00 -1.51 0.00 0.00 72.50 68.59 1sx5 s THR 94 CO -0.02 0.00 -0.03 -0.72 -2.21 0.00 0.00 174.62 171.64 1sx5 s TYR 95 N -3.55 2.34 0.35 9.09 1.13 -1.26 -2.51 117.35 122.94 1sx5 s TYR 95 Ca 0.16 -0.65 0.07 0.00 -1.41 0.00 0.00 57.07 55.24 1sx5 s TYR 95 Cb -0.04 -1.50 -0.03 0.00 -1.10 0.00 0.00 41.96 39.29 1sx5 s TYR 95 CO 0.09 0.42 0.26 0.95 -2.51 0.00 0.00 175.55 174.77 1sx5 s THR 96 N -2.78 0.09 0.00 -3.49 -4.23 0.74 -4.86 115.64 101.12 1sx5 s THR 96 Ca 0.34 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1sx5 s THR 96 Cb 0.06 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1sx5 s THR 96 CO 0.16 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.83 1sx5 n ASN 97 N -1.59 2.38 0.00 3.99 5.03 -1.26 -2.32 115.26 121.49 1sx5 n ASN 97 Ca 0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1sx5 n ASN 97 Cb 0.63 0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.59 1sx5 n ASN 97 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1sx5 n GLU 101 N -1.35 0.00 -2.58 3.52 2.13 -1.26 -5.01 120.64 116.09 1sx5 n GLU 101 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 1sx5 n GLU 101 Cb 0.25 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.92 1sx5 n GLU 101 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1sx5 s LYS 102 N -4.95 3.87 0.21 5.31 1.02 -1.26 -4.70 119.74 119.24 1sx5 s LYS 102 Ca 0.00 1.34 0.05 0.00 0.02 0.00 0.00 55.97 57.38 1sx5 s LYS 102 Cb 0.00 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 1sx5 s LYS 102 CO 0.00 -0.37 -0.07 0.96 -0.92 0.00 0.00 175.35 174.95 1sx5 s ILE 103 N -1.99 1.32 -0.05 2.17 -4.36 0.58 -4.87 121.20 114.00 1sx5 s ILE 103 Ca 0.66 -2.10 -0.11 0.00 -0.26 0.00 0.00 60.65 58.84 1sx5 s ILE 103 Cb -0.16 -2.14 0.02 0.00 1.25 0.00 0.00 42.46 41.43 1sx5 s ILE 103 CO 0.19 -0.51 0.27 -0.75 0.24 0.00 0.00 174.94 174.38 1sx5 s LYS 104 N -3.76 0.49 0.21 0.37 2.20 -1.26 -1.56 119.74 116.43 1sx5 s LYS 104 Ca 0.24 0.03 0.11 0.00 -0.36 0.00 0.00 55.97 56.00 1sx5 s LYS 104 Cb 0.03 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 1sx5 s LYS 104 CO 0.06 -0.11 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.66 1sx5 s PHE 105 N -0.68 2.28 -0.19 4.03 0.40 -1.26 -4.85 117.98 117.72 1sx5 s PHE 105 Ca -0.08 -0.36 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 1sx5 s PHE 105 Cb -0.04 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1sx5 s PHE 105 CO 0.02 0.54 0.49 0.95 0.70 0.00 0.00 175.22 177.92 1sx5 s THR 106 N -1.87 5.13 -0.26 0.64 -4.23 -1.26 -1.34 115.64 112.45 1sx5 s THR 106 Ca 0.23 0.91 0.13 0.00 -1.18 0.00 0.00 61.69 61.78 1sx5 s THR 106 Cb -0.07 -3.82 0.70 0.00 1.34 0.00 0.00 72.50 70.65 1sx5 s THR 106 CO 0.11 0.21 1.68 0.18 -0.54 0.00 0.00 174.62 176.26 1sx5 n LEU 107 N 4.56 5.34 0.00 4.79 4.77 0.28 -4.94 117.00 131.80 1sx5 n LEU 107 Ca -0.06 -3.14 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 1sx5 n LEU 107 Cb 0.51 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1sx5 n LEU 107 CO 0.42 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1sx5 n GLY 108 N -0.10 0.93 3.77 -0.72 0.00 -1.26 -4.77 105.19 103.04 1sx5 n GLY 108 Ca 0.32 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1sx5 n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sx5 s GLY 109 N -0.32 1.99 0.00 -0.02 0.00 -1.26 -0.59 107.32 107.13 1sx5 s GLY 109 Ca 0.00 0.46 0.14 0.00 0.00 0.00 0.00 44.72 45.31 1sx5 s GLY 109 CO 0.00 0.81 0.97 1.58 0.00 0.00 0.00 173.10 176.45 1sx5 n TYR 110 N -2.80 0.05 -0.06 1.90 0.18 -0.61 -4.52 117.16 111.30 1sx5 n TYR 110 Ca 0.10 -0.05 0.03 0.00 1.88 0.00 0.00 57.90 59.86 1sx5 n TYR 110 Cb 0.52 -0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.55 1sx5 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1sx5 n THR 111 N 0.76 0.93 0.00 -3.48 -2.24 -1.26 -4.61 114.28 104.37 1sx5 n THR 111 Ca 0.08 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1sx5 n THR 111 Cb 0.35 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1sx5 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sx5 n SER 112 N 0.02 0.00 0.25 3.42 3.41 -1.26 -4.64 113.62 114.82 1sx5 n SER 112 Ca 0.06 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.82 1sx5 n SER 112 Cb 0.32 0.00 0.86 0.00 -0.26 0.00 0.00 64.21 65.13 1sx5 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1sx5 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.60 -0.24 116.94 117.28 1sx5 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1sx5 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1sx5 h PHE 113 CO 0.00 0.00 0.00 -0.84 -2.00 0.00 0.00 178.31 175.47 1sx5 h ILE 114 N 0.00 0.00 0.00 0.88 3.07 -1.88 -3.21 117.51 116.37 1sx5 h ILE 114 Ca 0.05 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.05 1sx5 h ILE 114 Cb 0.26 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.10 1sx5 h ILE 114 CO -0.00 0.00 -1.29 0.54 -1.05 0.00 0.00 178.15 176.35 1sx5 n ARG 115 N -2.47 1.04 -3.60 0.16 1.74 -0.49 -4.91 116.66 108.14 1sx5 n ARG 115 Ca 0.03 -0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.77 1sx5 n ARG 115 Cb 0.32 -1.21 -0.17 0.00 -1.02 0.00 0.00 32.46 30.38 1sx5 n ARG 115 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sx5 s ASN 116 N -3.03 2.33 0.52 0.55 0.02 -0.22 -5.05 114.94 110.07 1sx5 s ASN 116 Ca -0.02 -0.62 0.40 0.00 -1.02 0.00 0.00 52.86 51.60 1sx5 s ASN 116 Cb 0.08 -0.20 1.58 0.00 0.02 0.00 0.00 41.25 42.72 1sx5 s ASN 116 CO 0.47 -0.35 1.68 -1.13 0.02 0.00 0.00 177.10 177.79 1sx5 h ASN 117 N 8.41 0.07 -0.07 -1.22 -0.00 -1.85 -1.63 115.58 119.29 1sx5 h ASN 117 Ca -0.15 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.18 1sx5 h ASN 117 Cb 1.14 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.49 1sx5 h ASN 117 CO 0.30 -0.03 0.00 0.35 -0.00 0.00 0.00 177.43 178.05 1sx5 n THR 118 N -4.21 1.36 -2.97 -3.57 -2.24 -1.26 -0.84 114.28 100.55 1sx5 n THR 118 Ca 0.35 -1.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.29 1sx5 n THR 118 Cb 1.56 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 69.97 1sx5 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sx5 s LYS 119 N -1.68 4.05 -1.44 -0.78 2.47 -0.61 -4.20 119.74 117.54 1sx5 s LYS 119 Ca 0.16 0.67 -0.08 0.00 -1.56 0.00 0.00 55.97 55.16 1sx5 s LYS 119 Cb 0.12 -3.69 0.04 0.00 -1.46 0.00 0.00 37.83 32.85 1sx5 s LYS 119 CO 0.04 -0.58 0.66 0.09 0.16 0.00 0.00 175.35 175.72 1sx5 n ASN 120 N 6.04 -5.13 -3.99 1.43 4.13 -1.26 -2.45 115.26 114.04 1sx5 n ASN 120 Ca 0.03 -0.41 -0.14 0.00 1.68 0.00 0.00 54.58 55.75 1sx5 n ASN 120 Cb 0.48 -4.15 -0.13 0.00 -1.54 0.00 0.00 39.78 34.44 1sx5 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1sx5 s ILE 121 N -3.12 0.39 0.08 2.41 2.07 -1.26 -1.18 121.20 120.60 1sx5 s ILE 121 Ca 0.41 -0.56 -0.20 0.00 -1.41 0.00 0.00 60.65 58.89 1sx5 s ILE 121 Cb -0.20 -0.40 -0.10 0.00 0.13 0.00 0.00 42.46 41.90 1sx5 s ILE 121 CO 0.50 -0.12 1.55 0.58 -1.91 0.00 0.00 174.94 175.54 1sx5 h VAL 122 N 4.82 1.23 -2.76 4.00 2.07 -1.17 -3.44 116.25 120.99 1sx5 h VAL 122 Ca -0.31 -0.75 -0.59 0.00 0.82 0.00 0.00 66.70 65.87 1sx5 h VAL 122 Cb 1.20 1.33 -0.16 0.00 -1.52 0.00 0.00 31.29 32.14 1sx5 h VAL 122 CO 0.46 0.23 -0.78 -0.31 0.02 0.00 0.00 177.57 177.19 1sx5 s TYR 123 N -5.16 2.15 0.25 1.57 2.02 -1.26 -5.10 117.35 111.82 1sx5 s TYR 123 Ca -0.14 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 55.88 1sx5 s TYR 123 Cb 0.07 -1.00 -0.15 0.00 -0.40 0.00 0.00 41.96 40.48 1sx5 s TYR 123 CO 0.72 0.55 1.04 -2.30 -1.57 0.00 0.00 175.55 173.99 1sx5 n PRO 124 N -0.17 1.23 0.07 -1.71 -0.02 -1.26 -4.83 135.00 128.30 1sx5 n PRO 124 Ca -0.09 0.43 0.06 0.00 -2.02 0.00 0.00 63.50 61.88 1sx5 n PRO 124 Cb 0.58 -1.83 0.49 0.00 -0.02 0.00 0.00 33.50 32.73 1sx5 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1sx5 h PHE 125 N 2.40 0.36 0.00 6.00 3.57 -1.32 0.06 116.94 128.01 1sx5 h PHE 125 Ca -0.40 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1sx5 h PHE 125 Cb 1.35 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1sx5 h PHE 125 CO 0.49 0.22 0.00 -0.40 -2.23 0.00 0.00 178.31 176.40 1sx5 n ASP 126 N -4.49 0.00 -0.16 0.41 5.68 -1.26 -1.86 116.55 114.87 1sx5 n ASP 126 Ca 0.02 -0.60 0.12 0.00 -0.50 0.00 0.00 54.79 53.82 1sx5 n ASP 126 Cb 0.09 -0.02 0.20 0.00 -1.14 0.00 0.00 41.12 40.25 1sx5 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sx5 n GLN 127 N -1.02 0.48 -3.56 0.11 6.02 0.01 -4.89 117.38 114.52 1sx5 n GLN 127 Ca 0.15 -0.32 -0.37 0.00 -0.01 0.00 0.00 57.00 56.45 1sx5 n GLN 127 Cb 0.08 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 1sx5 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1sx5 s TYR 128 N -2.75 3.57 -1.67 1.08 1.51 -0.78 0.02 117.35 118.33 1sx5 s TYR 128 Ca 0.16 0.73 0.17 0.00 -1.01 0.00 0.00 57.07 57.13 1sx5 s TYR 128 Cb 0.18 -2.28 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1sx5 s TYR 128 CO 0.64 0.43 0.92 0.44 -1.11 0.00 0.00 175.55 176.88 1sx5 n ILE 129 N 2.81 0.00 -3.58 2.71 -5.35 0.20 -4.85 119.36 111.29 1sx5 n ILE 129 Ca -0.13 -0.35 -0.16 0.00 -0.27 0.00 0.00 62.75 61.84 1sx5 n ILE 129 Cb 0.52 1.23 -0.07 0.00 -1.74 0.00 0.00 39.64 39.59 1sx5 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sx5 s ALA 130 N -1.91 -1.71 -0.23 -1.28 0.00 -1.23 -5.05 121.76 110.35 1sx5 s ALA 130 Ca 0.15 1.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.67 1sx5 s ALA 130 Cb 0.14 -0.50 0.07 0.00 0.00 0.00 0.00 23.12 22.82 1sx5 s ALA 130 CO 0.40 -0.35 0.01 -1.01 0.00 0.00 0.00 175.76 174.81 1sx5 s HIS 131 N -0.50 1.74 0.03 0.00 3.76 -1.26 -1.60 115.29 117.46 1sx5 s HIS 131 Ca -0.06 -1.41 0.02 0.00 -0.15 0.00 0.00 55.06 53.46 1sx5 s HIS 131 Cb -0.02 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.22 1sx5 s HIS 131 CO 0.06 -0.73 0.03 -1.58 -0.85 0.00 0.00 174.74 171.67 1sx5 s TRP 132 N 1.61 3.11 -0.17 1.40 0.51 0.15 -1.18 118.94 124.38 1sx5 s TRP 132 Ca -0.01 0.08 -0.02 0.00 -2.12 0.00 0.00 56.10 54.03 1sx5 s TRP 132 Cb -0.18 -1.65 -0.02 0.00 -0.81 0.00 0.00 33.47 30.82 1sx5 s TRP 132 CO -0.10 0.49 -0.07 0.42 -0.51 0.00 0.00 176.95 177.17 1sx5 s ILE 133 N -1.20 3.41 -0.36 2.03 -1.09 0.45 -0.94 121.20 123.50 1sx5 s ILE 133 Ca 0.23 -0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 58.02 1sx5 s ILE 133 Cb -0.12 -2.49 0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1sx5 s ILE 133 CO 0.14 0.48 0.21 -0.63 -1.23 0.00 0.00 174.94 173.91 1sx5 s ILE 134 N 0.71 4.68 -0.18 2.92 1.01 -0.29 -1.14 121.20 128.91 1sx5 s ILE 134 Ca -0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1sx5 s ILE 134 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1sx5 s ILE 134 CO 0.02 -0.18 0.04 -0.83 0.00 0.00 0.00 174.94 173.99 1sx5 s GLY 135 N 1.59 1.86 -0.11 6.18 0.00 -0.18 -1.03 107.32 115.62 1sx5 s GLY 135 Ca 0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 1sx5 s GLY 135 CO 0.07 0.04 -0.09 -0.19 0.00 0.00 0.00 173.10 172.93 1sx5 s TYR 136 N 0.40 2.89 -0.03 1.90 2.02 -0.04 -0.80 117.35 123.69 1sx5 s TYR 136 Ca 0.01 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1sx5 s TYR 136 Cb -0.13 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1sx5 s TYR 136 CO 0.01 0.03 -0.16 0.08 -1.57 0.00 0.00 175.55 173.94 1sx5 s VAL 137 N -0.10 1.31 0.13 0.71 1.01 -0.17 -1.58 120.40 121.71 1sx5 s VAL 137 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1sx5 s VAL 137 Cb -0.13 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1sx5 s VAL 137 CO 0.03 0.38 0.10 -0.72 0.00 0.00 0.00 175.10 174.89 1sx5 s TYR 138 N -0.14 0.74 -0.19 5.22 1.13 -1.04 -1.28 117.35 121.78 1sx5 s TYR 138 Ca 0.01 -1.12 -0.13 0.00 -1.41 0.00 0.00 57.07 54.43 1sx5 s TYR 138 Cb -0.09 -0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 40.35 1sx5 s TYR 138 CO 0.01 -0.56 0.24 0.99 -2.51 0.00 0.00 175.55 173.72 1sx5 s THR 139 N -4.02 5.33 0.35 -3.49 2.01 0.64 -0.18 115.64 116.26 1sx5 s THR 139 Ca 0.22 0.41 -0.27 0.00 0.31 0.00 0.00 61.69 62.36 1sx5 s THR 139 Cb 0.07 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 1sx5 s THR 139 CO 0.01 0.37 1.12 -0.13 -0.69 0.00 0.00 174.62 175.30 1sx5 s ARG 140 N 0.69 4.34 0.00 4.92 1.81 -0.98 -1.12 118.95 128.60 1sx5 s ARG 140 Ca 0.13 1.77 0.00 0.00 -1.72 0.00 0.00 55.73 55.91 1sx5 s ARG 140 Cb -0.13 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.49 1sx5 s ARG 140 CO 0.03 -0.05 0.00 0.28 -0.68 0.00 0.00 175.30 174.88 1sx5 n VAL 141 N 0.54 0.00 -4.01 3.52 0.31 -0.76 -4.86 118.33 113.08 1sx5 n VAL 141 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.36 1sx5 n VAL 141 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1sx5 n VAL 141 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1sx5 n LYS 145 N 0.00 0.00 -1.56 5.55 4.01 -1.26 -4.95 118.16 119.94 1sx5 n LYS 145 Ca 0.00 -0.08 -0.17 0.00 -0.51 0.00 0.00 58.31 57.56 1sx5 n LYS 145 Cb 0.00 0.15 -0.12 0.00 -0.51 0.00 0.00 35.03 34.56 1sx5 n LYS 145 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1sx5 n SER 146 N -0.15 1.44 -0.99 4.39 7.64 -1.26 -4.03 113.62 120.66 1sx5 n SER 146 Ca 0.01 -2.51 -0.02 0.00 1.01 0.00 0.00 58.87 57.37 1sx5 n SER 146 Cb 0.09 -1.68 0.18 0.00 -1.01 0.00 0.00 64.21 61.79 1sx5 n SER 146 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1sx5 n SER 147 N 19.10 2.43 -2.24 6.43 3.41 -1.26 -4.76 113.62 136.74 1sx5 n SER 147 Ca 0.42 -3.85 -0.30 0.00 -0.26 0.00 0.00 58.87 54.87 1sx5 n SER 147 Cb 0.47 -0.55 0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1sx5 n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sx5 n LEU 148 N -1.07 7.15 -4.15 1.04 7.99 -1.26 -4.66 117.00 122.04 1sx5 n LEU 148 Ca 0.28 -4.12 -0.10 0.00 -0.01 0.00 0.00 56.01 52.06 1sx5 n LEU 148 Cb 0.84 -0.89 -0.10 0.00 -0.11 0.00 0.00 43.42 43.16 1sx5 n LEU 148 CO 0.10 1.39 -0.32 -1.59 -1.51 0.00 0.00 177.39 175.47 1sx5 s LYS 149 N -3.65 0.88 0.56 3.23 -2.85 -1.26 -5.13 119.74 111.52 1sx5 s LYS 149 Ca 0.61 -1.40 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 1sx5 s LYS 149 Cb 0.49 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 36.44 1sx5 s LYS 149 CO 0.03 -0.21 0.83 0.95 0.10 0.00 0.00 175.35 177.05 1sx5 s THR 150 N -3.96 3.41 0.12 3.79 -4.23 -1.26 -4.43 115.64 109.08 1sx5 s THR 150 Ca 0.20 -0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1sx5 s THR 150 Cb 0.07 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 1sx5 s THR 150 CO -0.01 -0.29 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.45 1sx5 s TYR 151 N -2.87 0.95 0.40 3.99 1.51 -0.35 -4.97 117.35 116.00 1sx5 s TYR 151 Ca 0.54 -1.02 0.08 0.00 -1.01 0.00 0.00 57.07 55.65 1sx5 s TYR 151 Cb -0.10 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1sx5 s TYR 151 CO 0.42 -0.26 0.22 0.54 -1.11 0.00 0.00 175.55 175.36 1sx5 s ASN 152 N -3.07 4.63 0.45 2.29 2.20 -1.26 -1.03 114.94 119.15 1sx5 s ASN 152 Ca 0.17 -0.93 0.21 0.00 -0.94 0.00 0.00 52.86 51.37 1sx5 s ASN 152 Cb 0.06 -0.56 1.19 0.00 -2.00 0.00 0.00 41.25 39.94 1sx5 s ASN 152 CO -0.01 -0.51 1.89 0.40 -2.94 0.00 0.00 177.10 175.92 1sx5 h ILE 153 N 1.36 0.68 0.00 0.54 5.03 -1.99 0.11 117.51 123.24 1sx5 h ILE 153 Ca -0.43 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 1sx5 h ILE 153 Cb 1.26 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 35.41 1sx5 h ILE 153 CO 0.65 0.05 0.00 0.59 -0.68 0.00 0.00 178.15 178.77 1sx5 n ASN 154 N -4.45 0.13 -0.88 1.72 4.13 -1.26 -2.82 115.26 111.83 1sx5 n ASN 154 Ca 0.17 0.53 0.07 0.00 1.68 0.00 0.00 54.58 57.04 1sx5 n ASN 154 Cb 0.71 -0.56 0.23 0.00 -1.54 0.00 0.00 39.78 38.62 1sx5 n ASN 154 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1sx5 n GLU 155 N -1.65 3.04 -0.28 3.52 1.02 0.40 -4.76 120.64 121.92 1sx5 n GLU 155 Ca 0.03 -2.51 0.10 0.00 -0.02 0.00 0.00 57.16 54.77 1sx5 n GLU 155 Cb 0.18 -1.60 0.25 0.00 -0.02 0.00 0.00 31.44 30.25 1sx5 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1sx5 h LEU 156 N 2.22 0.10 -0.14 -4.62 3.38 -1.59 -0.94 115.31 113.72 1sx5 h LEU 156 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1sx5 h LEU 156 Cb 1.14 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1sx5 h LEU 156 CO 0.13 -0.07 0.00 -0.46 0.09 0.00 0.00 178.44 178.13 1sx5 n ASN 157 N -5.15 0.11 -0.88 -0.43 6.94 -1.26 -2.61 115.26 111.99 1sx5 n ASN 157 Ca 0.19 0.53 0.10 0.00 -0.02 0.00 0.00 54.58 55.38 1sx5 n ASN 157 Cb 0.59 -0.55 0.12 0.00 -2.36 0.00 0.00 39.78 37.58 1sx5 n ASN 157 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1sx5 n GLU 158 N -1.63 1.99 -2.63 -3.83 4.07 -0.36 -4.94 120.64 113.31 1sx5 n GLU 158 Ca 0.03 -1.85 -0.43 0.00 -0.06 0.00 0.00 57.16 54.85 1sx5 n GLU 158 Cb 0.16 -1.41 -0.02 0.00 -0.06 0.00 0.00 31.44 30.11 1sx5 n GLU 158 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1sx5 s ILE 159 N -1.57 4.65 0.48 6.31 1.01 -1.07 -5.00 121.20 126.01 1sx5 s ILE 159 Ca 0.27 1.94 -0.22 0.00 0.00 0.00 0.00 60.65 62.64 1sx5 s ILE 159 Cb 0.18 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 1sx5 s ILE 159 CO 0.26 -0.05 1.15 -2.16 0.00 0.00 0.00 174.94 174.14 1sx5 s PRO 160 N 2.44 3.68 0.04 2.79 0.04 -1.26 -5.05 135.00 137.68 1sx5 s PRO 160 Ca 0.49 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.30 1sx5 s PRO 160 Cb -0.19 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1sx5 s PRO 160 CO 0.15 -0.60 -0.05 0.15 0.04 0.00 0.00 177.00 176.69 1sx5 s LYS 161 N -2.82 2.52 -0.09 4.56 1.02 -1.26 -4.66 119.74 119.00 1sx5 s LYS 161 Ca 0.65 -0.78 0.06 0.00 0.02 0.00 0.00 55.97 55.92 1sx5 s LYS 161 Cb -0.27 -2.50 0.33 0.00 -0.52 0.00 0.00 37.83 34.87 1sx5 s LYS 161 CO 0.33 0.58 1.02 -0.35 -0.92 0.00 0.00 175.35 176.01 1sx5 n PRO 162 N 1.19 2.57 -3.85 -1.68 -0.04 -1.26 -4.78 135.00 127.16 1sx5 n PRO 162 Ca -0.14 -1.29 -0.09 0.00 -0.04 0.00 0.00 63.50 61.94 1sx5 n PRO 162 Cb 0.52 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.14 1sx5 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1sx5 s TYR 163 N -1.72 0.13 0.14 0.54 -0.85 -1.26 -1.83 117.35 112.50 1sx5 s TYR 163 Ca 0.22 -0.49 -0.19 0.00 -0.52 0.00 0.00 57.07 56.09 1sx5 s TYR 163 Cb 0.17 0.18 0.05 0.00 0.38 0.00 0.00 41.96 42.74 1sx5 s TYR 163 CO 0.07 -0.83 0.49 -1.59 -1.52 0.00 0.00 175.55 172.18 1sx5 s LYS 164 N -3.92 1.16 -1.16 -3.49 -2.85 -0.28 -4.84 119.74 104.36 1sx5 s LYS 164 Ca 0.13 -0.58 -0.01 0.00 -1.00 0.00 0.00 55.97 54.51 1sx5 s LYS 164 Cb 0.01 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1sx5 s LYS 164 CO -0.01 -0.48 0.98 0.41 0.10 0.00 0.00 175.35 176.34 1sx5 n GLY 165 N -0.27 -0.34 3.74 0.59 0.00 -1.26 -0.26 105.19 107.38 1sx5 n GLY 165 Ca -0.17 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1sx5 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sx5 s VAL 166 N -3.34 3.44 0.10 1.61 1.01 -1.26 -4.37 120.40 117.59 1sx5 s VAL 166 Ca 0.05 1.21 0.07 0.00 0.00 0.00 0.00 61.98 63.31 1sx5 s VAL 166 Cb -0.02 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1sx5 s VAL 166 CO 0.70 0.19 -0.19 -0.54 0.00 0.00 0.00 175.10 175.27 1sx5 s LYS 167 N -0.24 1.05 0.01 2.72 1.02 -0.40 -4.98 119.74 118.92 1sx5 s LYS 167 Ca 0.54 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1sx5 s LYS 167 Cb -0.34 -1.21 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 1sx5 s LYS 167 CO 0.37 0.27 -0.02 0.54 -0.92 0.00 0.00 175.35 175.60 1sx5 s VAL 168 N -1.33 0.12 0.16 3.17 0.11 -1.26 -1.00 120.40 120.36 1sx5 s VAL 168 Ca 0.05 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1sx5 s VAL 168 Cb -0.09 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1sx5 s VAL 168 CO 0.04 -0.16 0.08 0.72 -3.33 0.00 0.00 175.10 172.45 1sx5 s PHE 169 N -0.54 0.96 -0.09 1.54 -0.12 0.02 -4.91 117.98 114.85 1sx5 s PHE 169 Ca -0.05 -1.28 -0.01 0.00 -0.05 0.00 0.00 56.93 55.54 1sx5 s PHE 169 Cb -0.04 -0.50 0.03 0.00 -0.63 0.00 0.00 43.02 41.87 1sx5 s PHE 169 CO -0.00 -0.56 -0.03 -1.17 -0.05 0.00 0.00 175.22 173.40 1sx5 s LEU 170 N -3.09 0.87 0.07 -1.99 0.20 -1.26 -1.01 118.68 112.47 1sx5 s LEU 170 Ca 0.29 -0.17 -0.05 0.00 0.69 0.00 0.00 54.13 54.89 1sx5 s LEU 170 Cb 0.07 -0.60 -0.02 0.00 -0.43 0.00 0.00 46.19 45.22 1sx5 s LEU 170 CO 0.05 -0.15 0.08 -1.58 -0.29 0.00 0.00 176.35 174.46 1sx5 s GLN 171 N 1.79 0.71 0.37 1.98 2.00 -0.29 -4.97 119.66 121.25 1sx5 s GLN 171 Ca 0.04 -1.05 -0.27 0.00 -2.00 0.00 0.00 55.36 52.08 1sx5 s GLN 171 Cb -0.13 0.27 -0.09 0.00 0.80 0.00 0.00 33.01 33.87 1sx5 s GLN 171 CO -0.06 -0.19 1.23 -0.51 -0.50 0.00 0.00 175.29 175.27 1sx5 s ASP 172 N -2.81 6.62 0.23 6.67 1.01 -1.26 -0.41 116.67 126.72 1sx5 s ASP 172 Ca 0.05 2.52 -0.08 0.00 0.71 0.00 0.00 52.55 55.74 1sx5 s ASP 172 Cb 0.06 -2.63 0.23 0.00 1.01 0.00 0.00 42.92 41.58 1sx5 s ASP 172 CO -0.10 -0.62 1.89 0.50 0.21 0.00 0.00 175.17 177.05 1sx5 h LYS 173 N 2.99 1.06 -0.22 8.23 3.64 -1.47 -2.49 116.57 128.32 1sx5 h LYS 173 Ca -0.49 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.73 1sx5 h LYS 173 Cb 1.23 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1sx5 h LYS 173 CO 0.64 0.70 -0.28 0.11 -2.27 0.00 0.00 179.45 178.35 1sx5 h TRP 174 N 1.09 0.47 -0.68 1.91 5.08 -1.91 -2.39 115.95 119.52 1sx5 h TRP 174 Ca 0.32 -0.10 -0.03 0.00 1.08 0.00 0.00 58.89 60.16 1sx5 h TRP 174 Cb -0.05 -0.11 -0.03 0.00 -3.00 0.00 0.00 29.16 25.96 1sx5 h TRP 174 CO -0.02 0.66 0.30 0.28 -1.28 0.00 0.00 178.44 178.38 1sx5 h VAL 175 N 0.37 1.23 -0.03 0.12 2.07 -1.83 -3.09 116.25 115.09 1sx5 h VAL 175 Ca 0.05 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1sx5 h VAL 175 Cb 0.68 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1sx5 h VAL 175 CO 0.05 0.28 -0.01 2.30 0.02 0.00 0.00 177.57 180.22 1sx5 n ILE 176 N -4.32 0.00 -2.32 4.57 -5.35 -1.10 -3.73 119.36 107.11 1sx5 n ILE 176 Ca 0.06 -0.44 -0.40 0.00 -0.27 0.00 0.00 62.75 61.70 1sx5 n ILE 176 Cb 0.16 1.27 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 1sx5 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sx5 s ALA 177 N -2.01 3.41 0.00 -1.28 0.00 -0.92 -0.34 121.76 120.63 1sx5 s ALA 177 Ca 0.30 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1sx5 s ALA 177 Cb 0.20 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1sx5 s ALA 177 CO 0.31 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1sx5 n GLY 178 N 0.97 2.30 0.14 0.00 0.00 -0.06 -4.35 105.19 104.20 1sx5 n GLY 178 Ca -0.00 -2.09 0.01 0.00 0.00 0.00 0.00 46.02 43.94 1sx5 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sx5 n ASP 179 N -1.55 1.95 -4.30 1.61 5.75 -1.26 -4.76 116.55 113.98 1sx5 n ASP 179 Ca 0.00 -1.75 -0.32 0.00 -0.01 0.00 0.00 54.79 52.71 1sx5 n ASP 179 Cb 0.00 -0.04 -0.16 0.00 -1.03 0.00 0.00 41.12 39.89 1sx5 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1sx5 s LEU 180 N -0.79 2.23 0.32 -2.12 1.43 -1.26 -4.52 118.68 113.97 1sx5 s LEU 180 Ca 0.05 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.43 1sx5 s LEU 180 Cb 0.03 -1.43 -0.13 0.00 0.03 0.00 0.00 46.19 44.69 1sx5 s LEU 180 CO 0.04 0.24 0.97 0.00 0.23 0.00 0.00 176.35 177.83 1sx5 n ALA 181 N 2.96 -0.28 0.31 4.21 0.00 -1.26 -2.76 120.51 123.69 1sx5 n ALA 181 Ca -0.18 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1sx5 n ALA 181 Cb 0.52 -2.01 0.07 0.00 0.00 0.00 0.00 19.45 18.04 1sx5 n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sx5 h GLY 182 N 1.82 0.00 -3.33 0.00 0.00 -0.84 -3.41 103.07 97.31 1sx5 h GLY 182 Ca -0.40 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1sx5 h GLY 182 CO 0.59 0.00 -0.01 -1.35 0.00 0.00 0.00 176.54 175.77 1sx5 s SER 183 N -4.91 -0.34 0.00 0.19 1.04 -1.23 -4.86 113.70 103.59 1sx5 s SER 183 Ca 0.03 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1sx5 s SER 183 Cb 0.11 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1sx5 s SER 183 CO 0.76 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1sx5 n GLY 184 N 0.05 0.51 0.32 7.32 0.00 -1.26 -3.14 105.19 108.99 1sx5 n GLY 184 Ca -0.17 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.06 1sx5 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1sx5 h ASN 185 N 0.00 0.00 -0.45 1.61 7.08 -2.00 -1.08 115.58 120.74 1sx5 h ASN 185 Ca 0.00 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.11 1sx5 h ASN 185 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.18 1sx5 h ASN 185 CO 0.00 0.00 0.08 0.35 -2.08 0.00 0.00 177.43 175.78 1sx5 n THR 186 N -3.07 2.58 -3.40 6.14 -2.24 -1.26 -5.00 114.28 108.03 1sx5 n THR 186 Ca -0.02 -1.94 -0.07 0.00 -2.27 0.00 0.00 64.05 59.75 1sx5 n THR 186 Cb 0.13 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1sx5 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sx5 n THR 187 N -0.45 -0.48 -3.63 4.28 -2.24 -0.41 -4.74 114.28 106.61 1sx5 n THR 187 Ca 0.30 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.69 1sx5 n THR 187 Cb 1.10 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 1sx5 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1sx5 s ASN 188 N -3.81 6.56 0.28 3.42 0.02 -1.19 -1.58 114.94 118.64 1sx5 s ASN 188 Ca 0.05 0.68 -0.29 0.00 -1.02 0.00 0.00 52.86 52.28 1sx5 s ASN 188 Cb -0.03 -2.13 -0.10 0.00 0.02 0.00 0.00 41.25 39.01 1sx5 s ASN 188 CO 0.16 0.12 1.30 -0.63 0.02 0.00 0.00 177.10 178.07 1sx5 s ILE 189 N -1.52 2.95 -0.07 0.60 1.01 0.25 -0.39 121.20 124.03 1sx5 s ILE 189 Ca 0.37 0.88 -0.05 0.00 0.00 0.00 0.00 60.65 61.85 1sx5 s ILE 189 Cb -0.13 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1sx5 s ILE 189 CO 0.21 0.18 0.15 -0.83 0.00 0.00 0.00 174.94 174.65 1sx5 s GLY 190 N -0.19 2.16 0.89 6.18 0.00 -1.11 -0.56 107.32 114.69 1sx5 s GLY 190 Ca 0.52 -0.71 -0.13 0.00 0.00 0.00 0.00 44.72 44.40 1sx5 s GLY 190 CO 0.46 -0.52 1.24 -1.35 0.00 0.00 0.00 173.10 172.93 1sx5 s SER 191 N -1.46 3.59 0.92 1.64 1.04 -0.45 -0.88 113.70 118.10 1sx5 s SER 191 Ca 0.21 0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.80 1sx5 s SER 191 Cb -0.12 -0.45 0.15 0.00 0.10 0.00 0.00 66.02 65.69 1sx5 s SER 191 CO 0.11 -2.42 1.13 0.27 0.98 0.00 0.00 173.24 173.31 1sx5 s ILE 192 N -3.70 2.19 -0.37 -1.02 -4.36 0.54 -3.87 121.20 110.61 1sx5 s ILE 192 Ca 0.70 0.06 -0.03 0.00 -0.26 0.00 0.00 60.65 61.12 1sx5 s ILE 192 Cb -0.05 -2.14 0.08 0.00 1.25 0.00 0.00 42.46 41.60 1sx5 s ILE 192 CO 0.51 -0.08 0.13 -2.28 0.24 0.00 0.00 174.94 173.46 1sx5 s HIS 193 N -2.66 3.44 0.34 1.37 5.65 -1.26 -4.41 115.29 117.76 1sx5 s HIS 193 Ca 0.66 -2.09 -0.10 0.00 0.25 0.00 0.00 55.06 53.78 1sx5 s HIS 193 Cb -0.22 -2.76 0.04 0.00 -1.18 0.00 0.00 32.58 28.46 1sx5 s HIS 193 CO 0.58 -0.89 0.64 0.00 -0.65 0.00 0.00 174.74 174.42 1sx5 n ALA 194 N 4.64 -1.26 -2.12 1.58 0.00 -0.60 -4.87 120.51 117.88 1sx5 n ALA 194 Ca -0.07 -1.20 -0.31 0.00 0.00 0.00 0.00 53.44 51.86 1sx5 n ALA 194 Cb 0.42 0.96 -0.04 0.00 0.00 0.00 0.00 19.45 20.80 1sx5 n ALA 194 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1sx5 s HIS 195 N -3.02 3.45 0.30 0.00 3.76 -1.26 -0.31 115.29 118.21 1sx5 s HIS 195 Ca 0.17 1.14 0.02 0.00 -0.15 0.00 0.00 55.06 56.24 1sx5 s HIS 195 Cb -0.04 -2.51 0.73 0.00 1.11 0.00 0.00 32.58 31.87 1sx5 s HIS 195 CO 0.12 -0.11 1.60 -0.92 -0.85 0.00 0.00 174.74 174.59 1sx5 h TYR 196 N 1.38 0.12 -0.86 1.40 3.20 -1.94 0.28 116.97 120.54 1sx5 h TYR 196 Ca -0.47 0.06 0.15 0.00 3.14 0.00 0.00 58.73 61.61 1sx5 h TYR 196 Cb 1.18 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.49 1sx5 h TYR 196 CO 0.61 -0.34 0.56 0.87 -1.64 0.00 0.00 178.16 178.22 1sx5 h LYS 197 N 0.08 0.59 -0.19 1.82 1.79 -2.00 -0.95 116.57 117.71 1sx5 h LYS 197 Ca 0.57 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.89 1sx5 h LYS 197 Cb 1.18 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1sx5 h LYS 197 CO -0.80 0.39 -0.36 -0.44 -1.08 0.00 0.00 179.45 177.17 1sx5 h ASP 198 N 0.61 0.43 -0.16 0.86 3.32 -0.82 -0.32 116.42 120.34 1sx5 h ASP 198 Ca 0.44 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1sx5 h ASP 198 Cb 0.79 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 1sx5 h ASP 198 CO -0.19 0.76 -0.10 -0.26 -1.72 0.00 0.00 179.24 177.73 1sx5 h PHE 199 N 0.35 0.41 -0.52 4.55 -1.00 -1.11 0.12 116.94 119.74 1sx5 h PHE 199 Ca 0.04 -0.11 0.02 0.00 2.81 0.00 0.00 57.97 60.73 1sx5 h PHE 199 Cb 0.79 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.23 1sx5 h PHE 199 CO 0.02 0.69 0.32 0.28 -1.61 0.00 0.00 178.31 178.02 1sx5 h VAL 200 N 0.02 1.07 0.00 -0.55 2.07 -1.16 -2.72 116.25 114.97 1sx5 h VAL 200 Ca 0.03 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1sx5 h VAL 200 Cb 0.60 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1sx5 h VAL 200 CO 0.03 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 177.12 1sx5 n GLU 201 N -4.78 0.12 -2.79 1.57 1.02 -0.15 -4.93 120.64 110.70 1sx5 n GLU 201 Ca 0.04 0.15 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 1sx5 n GLU 201 Cb 0.06 -1.65 0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1sx5 n GLU 201 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sx5 n GLY 202 N 1.08 0.34 3.48 0.62 0.00 -0.34 -4.94 105.19 105.43 1sx5 n GLY 202 Ca 0.06 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 1sx5 n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sx5 s LYS 203 N -5.32 3.93 0.00 1.61 3.01 -0.12 -4.94 119.74 117.92 1sx5 s LYS 203 Ca 0.19 -2.24 0.00 0.00 -1.01 0.00 0.00 55.97 52.91 1sx5 s LYS 203 Cb -0.08 -5.10 0.00 0.00 -1.01 0.00 0.00 37.83 31.64 1sx5 s LYS 203 CO 0.23 -1.85 0.00 0.41 0.51 0.00 0.00 175.35 174.65 1sx5 n GLY 204 N 4.74 2.00 0.03 -3.33 0.00 -1.24 -4.89 105.19 102.49 1sx5 n GLY 204 Ca 0.35 -2.10 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 1sx5 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sx5 n ILE 205 N -0.65 0.41 -2.63 -0.61 -5.35 -1.26 -5.03 119.36 104.24 1sx5 n ILE 205 Ca 0.00 -0.32 -0.38 0.00 -0.27 0.00 0.00 62.75 61.78 1sx5 n ILE 205 Cb 0.00 -0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 37.42 1sx5 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1sx5 s PHE 206 N -2.36 3.60 -0.45 4.28 0.08 -1.26 -4.95 117.98 116.92 1sx5 s PHE 206 Ca -0.04 1.75 0.25 0.00 0.12 0.00 0.00 56.93 59.01 1sx5 s PHE 206 Cb 0.04 -3.08 0.59 0.00 -0.57 0.00 0.00 43.02 39.99 1sx5 s PHE 206 CO 0.37 -0.17 1.69 -0.44 -0.10 0.00 0.00 175.22 176.57 1sx5 h ASP 207 N 3.32 0.00 -5.09 1.36 3.32 -1.96 -3.48 116.42 113.89 1sx5 h ASP 207 Ca -0.47 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.73 1sx5 h ASP 207 Cb 1.20 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 1sx5 h ASP 207 CO 0.65 0.00 0.47 -0.94 -1.72 0.00 0.00 179.24 177.70 1sx5 s SER 208 N -5.68 -0.25 0.29 6.45 1.04 -1.26 -5.00 113.70 109.28 1sx5 s SER 208 Ca 0.07 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1sx5 s SER 208 Cb 0.07 0.47 0.43 0.00 0.10 0.00 0.00 66.02 67.09 1sx5 s SER 208 CO 0.63 -0.83 1.79 -0.08 0.98 0.00 0.00 173.24 175.72 1sx5 h GLU 209 N 2.00 0.66 -0.49 4.02 4.81 -1.93 -1.30 114.58 122.36 1sx5 h GLU 209 Ca -0.24 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1sx5 h GLU 209 Cb 1.24 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1sx5 h GLU 209 CO 0.28 0.71 0.26 0.22 -0.73 0.00 0.00 179.01 179.74 1sx5 h ASP 210 N 0.62 0.61 -0.61 1.04 3.58 -1.99 -0.23 116.42 119.44 1sx5 h ASP 210 Ca 0.12 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 1sx5 h ASP 210 Cb 0.45 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 1sx5 h ASP 210 CO 0.02 0.53 0.19 -0.08 -2.88 0.00 0.00 179.24 177.03 1sx5 h GLU 211 N 0.64 0.94 -0.29 0.28 4.81 -1.84 -0.27 114.58 118.85 1sx5 h GLU 211 Ca 0.17 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sx5 h GLU 211 Cb 0.06 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1sx5 h GLU 211 CO -0.03 0.84 0.19 0.35 -0.73 0.00 0.00 179.01 179.63 1sx5 h PHE 212 N 0.87 0.37 -0.27 0.92 3.57 -0.88 0.28 116.94 121.80 1sx5 h PHE 212 Ca 0.20 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1sx5 h PHE 212 Cb 0.28 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1sx5 h PHE 212 CO 0.02 0.24 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.01 1sx5 h LEU 213 N 0.39 0.69 -0.60 0.59 3.38 -0.85 -2.02 115.31 116.89 1sx5 h LEU 213 Ca 0.11 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1sx5 h LEU 213 Cb -0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1sx5 h LEU 213 CO -0.02 1.02 0.27 -0.78 0.09 0.00 0.00 178.44 179.01 1sx5 h ASP 214 N 0.37 0.80 0.00 -0.43 3.58 -0.88 0.79 116.42 120.65 1sx5 h ASP 214 Ca 0.04 -0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.38 1sx5 h ASP 214 Cb 0.82 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.62 1sx5 h ASP 214 CO 0.06 0.72 -0.24 0.22 -2.88 0.00 0.00 179.24 177.13 1sx5 h TYR 215 N 0.82 -0.64 0.00 0.28 5.03 -0.84 -2.30 116.97 119.31 1sx5 h TYR 215 Ca 0.20 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 1sx5 h TYR 215 Cb 0.15 0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.72 1sx5 h TYR 215 CO 0.00 -0.33 -0.08 -1.49 -1.32 0.00 0.00 178.16 174.95 1sx5 h TRP 216 N -0.38 0.00 0.00 -3.82 4.06 -1.15 -2.03 115.95 112.63 1sx5 h TRP 216 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1sx5 h TRP 216 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1sx5 h TRP 216 CO -0.28 0.08 0.00 0.00 -3.56 0.00 0.00 178.44 174.68 1sx5 h ARG 217 N 0.00 0.00 0.00 0.49 3.08 -0.63 -3.26 114.38 114.06 1sx5 h ARG 217 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sx5 h ARG 217 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1sx5 h ARG 217 CO 0.01 0.00 -0.00 0.09 -1.07 0.00 0.00 179.97 179.00 1sx5 n ASN 218 N -2.96 2.15 -4.70 7.04 3.02 -0.89 -5.00 115.26 113.93 1sx5 n ASN 218 Ca 0.02 -2.48 -0.42 0.00 -0.03 0.00 0.00 54.58 51.67 1sx5 n ASN 218 Cb 0.38 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1sx5 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1sx5 s TYR 219 N -1.82 3.41 0.56 3.10 5.04 -0.79 -4.96 117.35 121.88 1sx5 s TYR 219 Ca 0.14 1.41 -0.08 0.00 -2.44 0.00 0.00 57.07 56.10 1sx5 s TYR 219 Cb 0.12 -3.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.08 1sx5 s TYR 219 CO 0.01 -0.80 0.92 -1.21 -1.34 0.00 0.00 175.55 173.12 1sx5 s GLU 220 N 1.70 3.57 0.37 4.97 0.41 -1.26 -4.98 118.70 123.48 1sx5 s GLU 220 Ca 0.54 0.49 0.26 0.00 -0.41 0.00 0.00 54.97 55.85 1sx5 s GLU 220 Cb -0.23 -2.22 0.77 0.00 -1.78 0.00 0.00 34.13 30.67 1sx5 s GLU 220 CO 0.24 -0.40 1.75 0.00 -0.49 0.00 0.00 175.26 176.35 1sx5 h ARG 221 N -0.07 0.00 -4.67 1.61 3.08 -1.96 -3.44 114.38 108.93 1sx5 h ARG 221 Ca -0.45 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.35 1sx5 h ARG 221 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.10 1sx5 h ARG 221 CO 0.62 0.00 -0.67 0.95 -1.07 0.00 0.00 179.97 179.80 1sx5 s THR 222 N -3.28 0.58 0.28 2.04 -4.23 -1.26 -5.03 115.64 104.74 1sx5 s THR 222 Ca 0.07 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1sx5 s THR 222 Cb 0.09 -1.93 0.20 0.00 1.34 0.00 0.00 72.50 72.19 1sx5 s THR 222 CO 0.58 -0.63 1.88 0.28 -0.54 0.00 0.00 174.62 176.18 1sx5 h SER 223 N 2.83 0.89 -0.15 3.99 0.02 -1.97 0.56 113.55 119.72 1sx5 h SER 223 Ca -0.36 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1sx5 h SER 223 Cb 1.19 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1sx5 h SER 223 CO 0.63 0.76 -0.00 1.56 -1.14 0.00 0.00 176.83 178.64 1sx5 h GLN 224 N 0.98 0.05 -0.44 3.45 7.50 -1.99 0.37 115.11 125.04 1sx5 h GLN 224 Ca 0.24 -0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.30 1sx5 h GLN 224 Cb 0.11 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1sx5 h GLN 224 CO -0.03 0.03 -0.06 1.37 -1.50 0.00 0.00 178.83 178.64 1sx5 h LEU 225 N 0.05 0.81 -0.83 1.46 -0.00 -1.91 -3.16 115.31 111.73 1sx5 h LEU 225 Ca 0.07 -0.34 -0.12 0.00 -0.00 0.00 0.00 57.88 57.49 1sx5 h LEU 225 Cb 0.09 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 1sx5 h LEU 225 CO -0.12 0.96 -0.43 0.03 -0.00 0.00 0.00 178.44 178.88 1sx5 h ARG 226 N 0.64 0.34 0.00 0.17 3.08 -0.39 -3.18 114.38 115.04 1sx5 h ARG 226 Ca 0.12 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1sx5 h ARG 226 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1sx5 h ARG 226 CO 0.03 0.71 0.00 0.09 -1.07 0.00 0.00 179.97 179.74 1sx5 n ASN 227 N -4.01 0.00 -0.72 7.04 3.02 0.13 -0.68 115.26 120.03 1sx5 n ASN 227 Ca -0.02 0.29 0.06 0.00 -0.03 0.00 0.00 54.58 54.89 1sx5 n ASN 227 Cb 0.51 -0.36 0.18 0.00 -0.61 0.00 0.00 39.78 39.50 1sx5 n ASN 227 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1sx5 n ASP 228 N -1.36 3.20 0.00 6.41 10.43 -1.20 -4.87 116.55 129.16 1sx5 n ASP 228 Ca 0.03 -2.26 0.00 0.00 2.57 0.00 0.00 54.79 55.12 1sx5 n ASP 228 Cb 0.07 -0.32 0.00 0.00 1.84 0.00 0.00 41.12 42.71 1sx5 n ASP 228 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1sx5 n LYS 229 N 0.27 0.00 -3.57 -1.24 4.81 0.14 -5.09 118.16 113.48 1sx5 n LYS 229 Ca 0.14 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.42 1sx5 n LYS 229 Cb 0.55 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.54 1sx5 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1sx5 s TYR 230 N 0.00 -0.70 -0.18 5.64 -0.85 -0.67 -4.74 117.35 115.86 1sx5 s TYR 230 Ca 0.00 1.44 0.03 0.00 -0.52 0.00 0.00 57.07 58.01 1sx5 s TYR 230 Cb 0.00 0.35 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 1sx5 s TYR 230 CO 0.00 -0.51 0.20 0.09 -1.52 0.00 0.00 175.55 173.82 1sx5 n ASN 231 N 1.63 0.33 -2.73 -0.18 3.02 -1.26 -4.73 115.26 111.35 1sx5 n ASN 231 Ca -0.17 -0.67 -0.09 0.00 -0.03 0.00 0.00 54.58 53.63 1sx5 n ASN 231 Cb 0.56 0.82 0.02 0.00 -0.61 0.00 0.00 39.78 40.57 1sx5 n ASN 231 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sx5 n ASN 232 N -0.84 -2.11 -0.01 6.41 0.23 -1.26 -4.77 115.26 112.91 1sx5 n ASN 232 Ca 0.01 -2.55 -0.05 0.00 -0.53 0.00 0.00 54.58 51.45 1sx5 n ASN 232 Cb 0.05 3.54 0.16 0.00 -2.08 0.00 0.00 39.78 41.45 1sx5 n ASN 232 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1sx5 h ILE 233 N 1.95 1.27 -0.55 1.53 6.09 -1.98 -0.88 117.51 124.94 1sx5 h ILE 233 Ca -0.31 -1.32 -0.03 0.00 -1.37 0.00 0.00 64.86 61.83 1sx5 h ILE 233 Cb 1.18 1.34 -0.02 0.00 0.47 0.00 0.00 36.82 39.78 1sx5 h ILE 233 CO 0.40 0.42 0.24 0.28 -3.07 0.00 0.00 178.15 176.42 1sx5 h SER 234 N 0.49 0.74 0.47 2.19 0.02 -1.99 -0.54 113.55 114.93 1sx5 h SER 234 Ca 0.07 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 1sx5 h SER 234 Cb 0.71 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1sx5 h SER 234 CO 0.05 0.69 -0.52 -0.33 -1.14 0.00 0.00 176.83 175.58 1sx5 h GLU 235 N 0.75 0.07 -0.45 3.45 5.08 -1.86 -1.91 114.58 119.71 1sx5 h GLU 235 Ca 0.19 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 1sx5 h GLU 235 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1sx5 h GLU 235 CO -0.02 0.58 -0.26 -0.92 -1.00 0.00 0.00 179.01 177.39 1sx5 h TYR 236 N 0.05 1.12 -0.32 4.33 3.20 -0.75 0.48 116.97 125.09 1sx5 h TYR 236 Ca -0.00 -0.29 -0.05 0.00 3.14 0.00 0.00 58.73 61.52 1sx5 h TYR 236 Cb 0.95 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1sx5 h TYR 236 CO 0.00 1.11 -0.03 0.00 -1.64 0.00 0.00 178.16 177.61 1sx5 h ARG 237 N 0.80 0.50 -0.26 1.82 3.08 -0.83 -0.77 114.38 118.73 1sx5 h ARG 237 Ca 0.09 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 1sx5 h ARG 237 Cb 0.84 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1sx5 h ARG 237 CO 0.07 0.56 -0.56 -0.97 -1.07 0.00 0.00 179.97 178.00 1sx5 h ASN 238 N 0.48 0.94 -0.86 7.04 -0.73 -1.03 -1.91 115.58 119.51 1sx5 h ASN 238 Ca 0.10 -0.55 0.08 0.00 1.87 0.00 0.00 56.30 57.81 1sx5 h ASN 238 Cb 0.36 -0.27 -0.06 0.00 0.27 0.00 0.00 38.32 38.62 1sx5 h ASN 238 CO 0.01 1.32 0.56 -0.25 -0.37 0.00 0.00 177.43 178.70 1sx5 h TRP 239 N 0.61 0.94 0.01 0.67 7.01 -0.06 -0.29 115.95 124.85 1sx5 h TRP 239 Ca 0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1sx5 h TRP 239 Cb 1.17 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 1sx5 h TRP 239 CO 0.08 0.46 -0.01 0.82 -2.79 0.00 0.00 178.44 177.00 1sx5 h ILE 240 N 0.89 1.14 -0.99 2.65 1.08 -1.05 0.16 117.51 121.40 1sx5 h ILE 240 Ca 0.39 -0.45 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1sx5 h ILE 240 Cb 0.33 1.45 -0.05 0.00 -3.07 0.00 0.00 36.82 35.47 1sx5 h ILE 240 CO -0.15 0.12 0.65 0.22 -0.69 0.00 0.00 178.15 178.29 1sx5 h TYR 241 N -0.21 1.22 0.00 1.37 3.20 -0.48 -0.88 116.97 121.20 1sx5 h TYR 241 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1sx5 h TYR 241 Cb 0.20 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1sx5 h TYR 241 CO -0.01 0.73 0.00 0.54 -1.64 0.00 0.00 178.16 177.78 1sx5 n ARG 242 N -4.42 0.06 -0.51 1.82 1.74 -0.21 -4.83 116.66 110.31 1sx5 n ARG 242 Ca 0.13 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1sx5 n ARG 242 Cb 0.07 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1sx5 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sx5 n GLY 243 N -0.37 1.44 3.24 -0.13 0.00 -0.34 -4.47 105.19 104.57 1sx5 n GLY 243 Ca 0.04 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 1sx5 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sx5 n ARG 244 N -0.76 -6.29 0.00 1.61 1.74 0.02 -5.02 116.66 107.96 1sx5 n ARG 244 Ca 0.00 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1sx5 n ARG 244 Cb 0.12 -5.54 0.00 0.00 -1.02 0.00 0.00 32.46 26.02 1sx5 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47