#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpw n LEU 3 N 0.00 0.14 -0.03 -4.53 -0.00 -1.26 -0.86 117.00 110.46 1rpw n LEU 3 Ca 0.00 0.20 -0.14 0.00 -0.00 0.00 0.00 56.01 56.07 1rpw n LEU 3 Cb 0.00 -0.25 -0.10 0.00 -0.00 0.00 0.00 43.42 43.06 1rpw n LEU 3 CO 0.00 0.03 0.53 0.50 -0.00 0.00 0.00 177.39 178.45 1rpw h LYS 4 N 0.16 0.10 -0.85 1.47 3.64 -1.98 -0.08 116.57 119.02 1rpw h LYS 4 Ca 0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1rpw h LYS 4 Cb 0.31 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1rpw h LYS 4 CO 0.00 0.71 0.53 -0.44 -2.27 0.00 0.00 179.45 177.98 1rpw h ASP 5 N -0.50 1.01 -0.80 4.20 3.32 -1.90 -1.41 116.42 120.34 1rpw h ASP 5 Ca -0.00 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1rpw h ASP 5 Cb 0.72 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1rpw h ASP 5 CO 0.02 0.77 0.35 0.50 -1.72 0.00 0.00 179.24 179.15 1rpw h LYS 6 N 1.17 1.18 -0.16 3.56 1.63 -0.92 -1.50 116.57 121.53 1rpw h LYS 6 Ca 0.31 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1rpw h LYS 6 Cb -0.07 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.35 1rpw h LYS 6 CO -0.06 0.93 0.06 0.82 -3.45 0.00 0.00 179.45 177.75 1rpw h ILE 7 N 1.16 1.17 -0.57 2.00 2.04 -0.44 -0.79 117.51 122.08 1rpw h ILE 7 Ca 0.27 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.69 1rpw h ILE 7 Cb 0.17 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1rpw h ILE 7 CO -0.03 0.16 0.24 -0.07 0.00 0.00 0.00 178.15 178.45 1rpw h LEU 8 N 0.10 0.28 0.45 1.44 3.38 -0.94 0.15 115.31 120.16 1rpw h LEU 8 Ca 0.05 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1rpw h LEU 8 Cb 0.20 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1rpw h LEU 8 CO -0.00 0.18 -0.27 1.23 0.09 0.00 0.00 178.44 179.67 1rpw h GLY 9 N 0.44 -0.72 0.82 0.83 0.00 -1.03 0.27 103.07 103.69 1rpw h GLY 9 Ca 0.27 0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.94 1rpw h GLY 9 CO -0.25 -0.27 0.44 -2.08 0.00 0.00 0.00 176.54 174.39 1rpw h VAL 10 N -0.68 1.07 -0.01 4.60 2.07 -0.93 -2.00 116.25 120.37 1rpw h VAL 10 Ca -0.05 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1rpw h VAL 10 Cb 0.55 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1rpw h VAL 10 CO 0.06 0.16 0.01 0.00 0.02 0.00 0.00 177.57 177.81 1rpw h ALA 11 N 1.32 0.01 -0.40 1.67 0.00 -0.78 0.17 119.26 121.25 1rpw h ALA 11 Ca 0.30 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1rpw h ALA 11 Cb 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 1rpw h ALA 11 CO -0.13 -0.48 -0.21 -0.22 0.00 0.00 0.00 179.25 178.21 1rpw h LYS 12 N -0.02 -0.14 -0.21 0.00 3.64 0.12 0.79 116.57 120.76 1rpw h LYS 12 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1rpw h LYS 12 Cb 0.03 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1rpw h LYS 12 CO -0.00 -0.09 0.12 0.93 -2.27 0.00 0.00 179.45 178.14 1rpw h GLU 13 N -0.14 0.29 -0.27 1.90 4.39 -0.96 0.56 114.58 120.34 1rpw h GLU 13 Ca 0.19 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.90 1rpw h GLU 13 Cb 0.45 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1rpw h GLU 13 CO -0.49 0.24 0.05 -0.07 -1.16 0.00 0.00 179.01 177.59 1rpw h LEU 14 N 0.25 0.01 -0.61 1.33 3.38 -0.11 0.27 115.31 119.84 1rpw h LEU 14 Ca 0.07 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1rpw h LEU 14 Cb 0.03 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1rpw h LEU 14 CO -0.01 0.04 0.33 -0.26 0.09 0.00 0.00 178.44 178.62 1rpw h PHE 15 N 0.16 0.60 -0.33 1.13 0.05 -0.59 0.29 116.94 118.25 1rpw h PHE 15 Ca 0.13 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.93 1rpw h PHE 15 Cb 0.13 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 37.89 1rpw h PHE 15 CO -0.16 0.29 0.16 0.82 -0.18 0.00 0.00 178.31 179.23 1rpw h ILE 16 N 0.61 1.16 -0.22 -0.55 2.04 -0.16 1.21 117.51 121.60 1rpw h ILE 16 Ca 0.27 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1rpw h ILE 16 Cb 0.17 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1rpw h ILE 16 CO -0.17 0.16 -0.37 0.50 0.00 0.00 0.00 178.15 178.27 1rpw h LYS 17 N 0.40 0.65 -0.01 2.37 3.64 0.12 -3.37 116.57 120.37 1rpw h LYS 17 Ca 0.11 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1rpw h LYS 17 Cb 0.11 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1rpw h LYS 17 CO -0.01 1.01 0.00 0.09 -2.27 0.00 0.00 179.45 178.27 1rpw n ASN 18 N -4.25 1.30 0.00 4.20 3.02 0.98 -5.09 115.26 115.42 1rpw n ASN 18 Ca -0.05 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1rpw n ASN 18 Cb 0.52 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1rpw n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rpw n GLY 19 N 0.19 -0.91 0.32 7.41 0.00 0.42 -4.29 105.19 108.33 1rpw n GLY 19 Ca 0.02 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 1rpw n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rpw h TYR 20 N 0.00 -0.70 -0.55 1.61 3.20 -1.79 -3.19 116.97 115.55 1rpw h TYR 20 Ca 0.00 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1rpw h TYR 20 Cb 0.00 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 1rpw h TYR 20 CO 0.00 -0.38 0.31 -0.91 -1.64 0.00 0.00 178.16 175.54 1rpw h ASN 21 N -0.92 0.47 1.40 -2.11 2.35 -1.93 -3.04 115.58 111.80 1rpw h ASN 21 Ca -0.08 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1rpw h ASN 21 Cb 0.64 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1rpw h ASN 21 CO 0.13 0.32 -0.04 0.00 -1.65 0.00 0.00 177.43 176.18 1rpw h ALA 22 N 1.28 0.99 -2.22 -0.83 0.00 -1.75 -3.43 119.26 113.30 1rpw h ALA 22 Ca 0.24 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.54 1rpw h ALA 22 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1rpw h ALA 22 CO -0.14 0.05 0.74 0.99 0.00 0.00 0.00 179.25 180.90 1rpw s THR 23 N -3.46 4.44 -0.02 0.00 2.01 -1.15 -5.02 115.64 112.44 1rpw s THR 23 Ca 0.03 1.74 -0.00 0.00 0.31 0.00 0.00 61.69 63.78 1rpw s THR 23 Cb 0.07 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1rpw s THR 23 CO 0.61 -0.07 0.05 0.42 -0.69 0.00 0.00 174.62 174.94 1rpw s THR 24 N 2.68 4.55 0.66 -0.82 -4.23 -1.26 -4.98 115.64 112.23 1rpw s THR 24 Ca 0.52 -0.42 0.42 0.00 -1.18 0.00 0.00 61.69 61.03 1rpw s THR 24 Cb -0.21 -3.04 0.43 0.00 1.34 0.00 0.00 72.50 71.01 1rpw s THR 24 CO 0.16 0.40 2.32 0.71 -0.54 0.00 0.00 174.62 177.67 1rpw h THR 25 N 3.44 0.05 0.11 3.99 1.35 -1.99 -1.10 112.91 118.76 1rpw h THR 25 Ca -0.49 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1rpw h THR 25 Cb 1.18 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1rpw h THR 25 CO 0.60 0.00 -0.05 1.23 -0.25 0.00 0.00 175.52 177.04 1rpw h GLY 26 N 0.00 -0.16 0.55 5.82 0.00 -1.99 0.38 103.07 107.68 1rpw h GLY 26 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.43 1rpw h GLY 26 CO -0.00 -0.06 -0.10 0.83 0.00 0.00 0.00 176.54 177.21 1rpw h GLU 27 N -0.32 -0.11 -0.70 4.80 5.08 -1.62 -1.18 114.58 120.54 1rpw h GLU 27 Ca -0.02 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1rpw h GLU 27 Cb 0.26 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.46 1rpw h GLU 27 CO 0.03 -0.07 0.32 0.82 -1.00 0.00 0.00 179.01 179.10 1rpw h ILE 28 N -0.11 0.80 0.87 3.13 2.04 -1.24 0.15 117.51 123.14 1rpw h ILE 28 Ca 0.09 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1rpw h ILE 28 Cb 0.24 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1rpw h ILE 28 CO -0.21 0.10 -0.49 0.58 0.00 0.00 0.00 178.15 178.13 1rpw h VAL 29 N 0.53 0.00 -0.28 1.67 2.07 0.79 -2.05 116.25 118.99 1rpw h VAL 29 Ca 0.35 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.86 1rpw h VAL 29 Cb 0.42 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1rpw h VAL 29 CO -0.30 0.00 0.14 0.50 0.02 0.00 0.00 177.57 177.93 1rpw h LYS 30 N -1.26 0.40 0.00 1.57 3.11 -0.95 -1.46 116.57 117.98 1rpw h LYS 30 Ca -0.12 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.66 1rpw h LYS 30 Cb 1.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.15 1rpw h LYS 30 CO 0.15 0.38 -0.03 -0.07 -2.81 0.00 0.00 179.45 177.07 1rpw h LEU 31 N 0.32 0.00 -2.18 5.20 3.38 -0.75 -0.67 115.31 120.62 1rpw h LEU 31 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rpw h LEU 31 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1rpw h LEU 31 CO -0.01 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 1rpw n SER 32 N -3.32 3.09 -3.38 -0.43 3.41 -0.77 -4.96 113.62 107.26 1rpw n SER 32 Ca -0.02 -1.91 -0.25 0.00 -0.26 0.00 0.00 58.87 56.43 1rpw n SER 32 Cb 0.15 -0.17 0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1rpw n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rpw n GLU 33 N 1.24 -5.11 0.00 4.33 1.02 -0.26 -4.83 120.64 117.03 1rpw n GLU 33 Ca 0.16 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1rpw n GLU 33 Cb 0.54 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.37 1rpw n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1rpw n SER 34 N -2.60 0.00 -3.56 1.62 2.88 -0.62 -5.03 113.62 106.30 1rpw n SER 34 Ca -0.04 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 1rpw n SER 34 Cb 0.57 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 1rpw n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1rpw s SER 35 N -0.10 -0.38 0.22 -3.46 1.04 -1.26 -4.78 113.70 104.98 1rpw s SER 35 Ca 0.00 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.15 1rpw s SER 35 Cb 0.00 0.55 0.33 0.00 0.10 0.00 0.00 66.02 66.99 1rpw s SER 35 CO 0.00 -0.94 1.76 0.11 0.98 0.00 0.00 173.24 175.15 1rpw h LYS 36 N 2.18 0.50 0.07 4.02 1.57 -1.95 -0.36 116.57 122.60 1rpw h LYS 36 Ca -0.33 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1rpw h LYS 36 Cb 1.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1rpw h LYS 36 CO 0.41 0.33 -0.03 0.78 -0.57 0.00 0.00 179.45 180.37 1rpw h GLY 37 N 0.51 -0.10 0.89 3.86 0.00 -1.98 0.14 103.07 106.39 1rpw h GLY 37 Ca 0.34 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.73 1rpw h GLY 37 CO -0.30 -0.04 0.50 -0.57 0.00 0.00 0.00 176.54 176.14 1rpw h ASN 38 N -0.22 0.83 -0.77 0.19 -0.00 -1.86 0.20 115.58 113.95 1rpw h ASN 38 Ca -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.25 1rpw h ASN 38 Cb 0.19 -0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 38.29 1rpw h ASN 38 CO 0.02 0.58 0.35 0.25 -0.00 0.00 0.00 177.43 178.62 1rpw h LEU 39 N 0.98 1.02 -0.30 0.34 6.46 -0.83 -2.18 115.31 120.81 1rpw h LEU 39 Ca 0.31 -0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1rpw h LEU 39 Cb -0.00 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.65 1rpw h LEU 39 CO -0.11 0.89 0.09 0.22 -0.62 0.00 0.00 178.44 178.91 1rpw h TYR 40 N 1.09 0.48 -0.10 1.25 3.20 0.29 -1.44 116.97 121.74 1rpw h TYR 40 Ca 0.26 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1rpw h TYR 40 Cb 0.15 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1rpw h TYR 40 CO 0.01 0.51 0.01 -0.92 -1.64 0.00 0.00 178.16 176.13 1rpw h TYR 41 N 0.32 0.13 0.03 -3.82 3.20 -0.42 0.83 116.97 117.23 1rpw h TYR 41 Ca 0.09 -0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.65 1rpw h TYR 41 Cb 0.26 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1rpw h TYR 41 CO 0.01 0.14 -1.78 0.72 -1.64 0.00 0.00 178.16 175.61 1rpw n HIS 42 N -4.46 1.05 -0.38 -3.82 8.25 -0.84 -4.70 115.22 110.32 1rpw n HIS 42 Ca -0.01 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1rpw n HIS 42 Cb 0.13 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.06 1rpw n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rpw n PHE 43 N -3.14 0.00 0.00 4.41 3.01 -0.56 -5.01 117.46 116.17 1rpw n PHE 43 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1rpw n PHE 43 Cb 1.05 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.52 1rpw n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1rpw n LYS 44 N -0.11 0.00 -4.18 -1.08 4.01 0.28 -4.23 118.16 112.86 1rpw n LYS 44 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 1rpw n LYS 44 Cb 0.09 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.52 1rpw n LYS 44 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1rpw s THR 45 N 0.00 0.00 0.19 -0.18 -4.23 -1.26 -4.79 115.64 105.37 1rpw s THR 45 Ca 0.00 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 1rpw s THR 45 Cb 0.00 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.46 1rpw s THR 45 CO 0.00 0.00 1.68 0.50 -0.54 0.00 0.00 174.62 176.26 1rpw h LYS 46 N 2.58 1.08 -0.82 3.99 3.64 -1.98 -1.22 116.57 123.84 1rpw h LYS 46 Ca -0.35 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 58.80 1rpw h LYS 46 Cb 1.25 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1rpw h LYS 46 CO 0.51 1.00 0.50 0.93 -2.27 0.00 0.00 179.45 180.11 1rpw h GLU 47 N 1.00 0.87 -0.31 1.90 3.07 -1.96 0.70 114.58 119.85 1rpw h GLU 47 Ca 0.20 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.83 1rpw h GLU 47 Cb 0.44 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1rpw h GLU 47 CO 0.01 0.58 -0.49 -0.97 -1.40 0.00 0.00 179.01 176.74 1rpw h ASN 48 N 0.90 0.96 -0.20 1.42 -1.24 -1.70 -1.31 115.58 114.42 1rpw h ASN 48 Ca 0.36 -0.51 0.05 0.00 0.71 0.00 0.00 56.30 56.91 1rpw h ASN 48 Cb 0.19 -0.28 -0.06 0.00 0.73 0.00 0.00 38.32 38.91 1rpw h ASN 48 CO -0.18 1.29 -0.16 0.25 -1.29 0.00 0.00 177.43 177.34 1rpw h LEU 49 N 0.67 -0.52 -0.05 0.34 6.46 -0.28 0.55 115.31 122.47 1rpw h LEU 49 Ca 0.03 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1rpw h LEU 49 Cb 1.09 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.26 1rpw h LEU 49 CO 0.11 -0.20 -0.06 0.15 -0.62 0.00 0.00 178.44 177.82 1rpw h PHE 50 N -0.17 -0.14 -0.66 1.25 3.04 -0.79 -1.53 116.94 117.95 1rpw h PHE 50 Ca 0.12 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.17 1rpw h PHE 50 Cb 0.35 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 1rpw h PHE 50 CO -0.31 -0.09 0.44 -0.07 -2.02 0.00 0.00 178.31 176.26 1rpw h LEU 51 N -0.08 0.46 0.12 0.59 3.38 -0.70 -0.93 115.31 118.15 1rpw h LEU 51 Ca 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1rpw h LEU 51 Cb 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1rpw h LEU 51 CO -0.10 0.28 -0.06 -0.08 0.09 0.00 0.00 178.44 178.57 1rpw h GLU 52 N 0.51 -0.15 -0.19 1.13 4.57 -0.14 -1.66 114.58 118.64 1rpw h GLU 52 Ca 0.30 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.54 1rpw h GLU 52 Cb 0.51 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 1rpw h GLU 52 CO -0.10 -0.04 -0.13 0.82 -1.18 0.00 0.00 179.01 178.39 1rpw h ILE 53 N -0.24 0.63 -0.94 2.32 2.04 -0.26 -1.75 117.51 119.32 1rpw h ILE 53 Ca -0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1rpw h ILE 53 Cb 0.19 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1rpw h ILE 53 CO 0.03 0.00 0.60 -0.07 0.00 0.00 0.00 178.15 178.71 1rpw h LEU 54 N -0.12 0.59 -0.29 1.44 4.07 -0.98 0.27 115.31 120.29 1rpw h LEU 54 Ca 0.11 0.06 -0.17 0.00 0.08 0.00 0.00 57.88 57.96 1rpw h LEU 54 Cb 0.29 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 1rpw h LEU 54 CO -0.27 0.25 -0.47 0.78 -1.08 0.00 0.00 178.44 177.65 1rpw h ASN 55 N 0.60 0.92 -0.35 -0.43 4.21 -0.51 0.19 115.58 120.20 1rpw h ASN 55 Ca 0.50 -0.52 0.03 0.00 1.21 0.00 0.00 56.30 57.52 1rpw h ASN 55 Cb 0.97 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.87 1rpw h ASN 55 CO -0.24 1.26 0.17 0.40 -1.29 0.00 0.00 177.43 177.73 1rpw h ILE 56 N 0.61 0.98 -0.72 2.81 1.08 -0.16 0.10 117.51 122.21 1rpw h ILE 56 Ca 0.02 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1rpw h ILE 56 Cb 1.07 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 1rpw h ILE 56 CO 0.11 0.07 0.46 -0.33 -0.69 0.00 0.00 178.15 177.77 1rpw h GLU 57 N 0.36 0.96 -0.61 2.37 4.39 -0.37 -0.71 114.58 120.97 1rpw h GLU 57 Ca 0.15 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1rpw h GLU 57 Cb 0.06 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 1rpw h GLU 57 CO -0.11 0.65 0.38 1.49 -1.16 0.00 0.00 179.01 180.27 1rpw h GLU 58 N 0.98 0.73 -0.28 2.33 4.22 0.27 0.14 114.58 122.97 1rpw h GLU 58 Ca 0.26 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.70 1rpw h GLU 58 Cb -0.08 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 1rpw h GLU 58 CO -0.05 0.48 0.06 0.77 -2.18 0.00 0.00 179.01 178.09 1rpw h SER 59 N 0.75 0.02 -0.82 1.04 0.02 0.11 0.01 113.55 114.68 1rpw h SER 59 Ca 0.24 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1rpw h SER 59 Cb 0.00 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1rpw h SER 59 CO -0.09 0.05 0.49 0.11 -1.14 0.00 0.00 176.83 176.24 1rpw h LYS 60 N 0.17 1.12 -0.68 3.45 1.57 -0.68 -0.38 116.57 121.14 1rpw h LYS 60 Ca 0.13 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1rpw h LYS 60 Cb 0.13 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1rpw h LYS 60 CO -0.17 0.80 0.44 2.35 -0.57 0.00 0.00 179.45 182.30 1rpw h TRP 61 N 1.13 0.84 0.31 -1.35 2.91 -0.13 0.26 115.95 119.93 1rpw h TRP 61 Ca 0.29 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.32 1rpw h TRP 61 Cb -0.03 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.34 1rpw h TRP 61 CO -0.00 0.51 -0.15 1.96 -1.03 0.00 0.00 178.44 179.72 1rpw h GLN 62 N 0.89 -0.41 -0.51 2.65 1.08 -0.33 0.94 115.11 119.43 1rpw h GLN 62 Ca 0.26 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.59 1rpw h GLN 62 Cb -0.06 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.37 1rpw h GLN 62 CO -0.07 -0.25 -0.10 1.49 -0.95 0.00 0.00 178.83 178.95 1rpw h GLU 63 N -0.45 0.03 -0.09 1.46 4.22 -0.73 0.26 114.58 119.28 1rpw h GLU 63 Ca -0.04 -0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.42 1rpw h GLU 63 Cb 0.34 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1rpw h GLU 63 CO 0.07 0.02 -0.09 1.96 -2.18 0.00 0.00 179.01 178.79 1rpw h GLN 64 N 0.03 -0.10 -0.80 1.92 4.20 -0.10 -2.50 115.11 117.75 1rpw h GLN 64 Ca 0.25 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.00 1rpw h GLN 64 Cb 0.38 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1rpw h GLN 64 CO -0.50 -0.07 0.53 2.35 -0.67 0.00 0.00 178.83 180.47 1rpw h TRP 65 N -0.11 0.95 -0.53 2.96 -0.00 0.78 0.19 115.95 120.21 1rpw h TRP 65 Ca 0.07 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.99 1rpw h TRP 65 Cb 0.20 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 29.01 1rpw h TRP 65 CO -0.19 0.56 0.34 -0.22 -0.00 0.00 0.00 178.44 178.92 1rpw h LYS 66 N 0.99 0.67 -0.21 2.65 3.64 -0.13 0.17 116.57 124.34 1rpw h LYS 66 Ca 0.32 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.48 1rpw h LYS 66 Cb 0.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1rpw h LYS 66 CO -0.09 0.44 -0.54 0.87 -2.27 0.00 0.00 179.45 177.86 1rpw h LYS 67 N 0.69 0.75 -0.00 1.90 1.57 -1.01 -3.30 116.57 117.15 1rpw h LYS 67 Ca 0.20 -0.52 -0.11 0.00 -1.87 0.00 0.00 60.65 58.35 1rpw h LYS 67 Cb -0.05 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1rpw h LYS 67 CO -0.06 1.14 -0.53 1.49 -0.57 0.00 0.00 179.45 180.92 1rpw h GLU 68 N 0.47 0.01 0.00 3.15 4.57 -0.71 -3.23 114.58 118.84 1rpw h GLU 68 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1rpw h GLU 68 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1rpw h GLU 68 CO 0.12 0.54 0.00 0.00 -1.18 0.00 0.00 179.01 178.49 1rpw n GLN 69 N -3.90 0.00 0.27 1.92 10.64 0.58 -2.23 117.38 124.65 1rpw n GLN 69 Ca -0.01 0.20 0.17 0.00 -1.83 0.00 0.00 57.00 55.53 1rpw n GLN 69 Cb 0.55 -1.50 0.69 0.00 -0.86 0.00 0.00 30.24 29.12 1rpw n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1rpw h ILE 70 N 0.00 0.00 0.00 -0.39 1.08 -1.71 -1.48 117.51 115.01 1rpw h ILE 70 Ca 0.00 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1rpw h ILE 70 Cb 0.30 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1rpw h ILE 70 CO 0.00 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.75 1rpw n LYS 71 N -3.02 0.19 -3.77 2.37 5.02 -0.95 -4.46 118.16 113.55 1rpw n LYS 71 Ca 0.01 0.41 -0.37 0.00 -2.02 0.00 0.00 58.31 56.34 1rpw n LYS 71 Cb 0.29 -1.86 -0.12 0.00 -0.02 0.00 0.00 35.03 33.32 1rpw n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rpw s ALA 72 N -3.30 3.07 0.07 7.82 0.00 -0.56 -5.00 121.76 123.85 1rpw s ALA 72 Ca 0.05 -2.11 -0.35 0.00 0.00 0.00 0.00 51.96 49.54 1rpw s ALA 72 Cb 0.09 -2.31 -0.20 0.00 0.00 0.00 0.00 23.12 20.70 1rpw s ALA 72 CO 0.40 -1.55 1.60 -0.22 0.00 0.00 0.00 175.76 175.99 1rpw h LYS 73 N 8.14 -1.09 -6.72 0.00 3.64 -1.82 -3.43 116.57 115.29 1rpw h LYS 73 Ca -0.19 0.07 -0.48 0.00 -1.27 0.00 0.00 60.65 58.78 1rpw h LYS 73 Cb 1.06 0.25 0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1rpw h LYS 73 CO 0.65 -0.72 -0.05 0.95 -2.27 0.00 0.00 179.45 178.01 1rpw s THR 74 N -6.02 4.86 0.31 1.00 -4.23 -1.26 -4.99 115.64 105.31 1rpw s THR 74 Ca -0.19 -0.19 0.11 0.00 -1.18 0.00 0.00 61.69 60.24 1rpw s THR 74 Cb 0.03 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1rpw s THR 74 CO 0.61 -0.65 1.70 0.78 -0.54 0.00 0.00 174.62 176.53 1rpw h ASN 75 N 0.47 0.00 -0.53 3.99 2.35 -1.92 -2.19 115.58 117.75 1rpw h ASN 75 Ca -0.48 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.34 1rpw h ASN 75 Cb 1.22 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.53 1rpw h ASN 75 CO 0.61 0.51 0.21 -0.09 -1.65 0.00 0.00 177.43 177.02 1rpw h ARG 76 N 0.00 0.38 -0.21 0.81 2.43 -1.94 0.19 114.38 116.04 1rpw h ARG 76 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1rpw h ARG 76 Cb 0.91 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1rpw h ARG 76 CO 0.07 0.25 0.12 0.93 -1.51 0.00 0.00 179.97 179.83 1rpw h GLU 77 N 0.40 0.29 -0.65 0.20 5.08 -1.84 -1.97 114.58 116.09 1rpw h GLU 77 Ca 0.25 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1rpw h GLU 77 Cb 0.26 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1rpw h GLU 77 CO -0.24 0.26 0.43 0.87 -1.00 0.00 0.00 179.01 179.33 1rpw h LYS 78 N 0.24 0.60 0.12 2.33 1.57 -0.74 0.21 116.57 120.90 1rpw h LYS 78 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1rpw h LYS 78 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1rpw h LYS 78 CO -0.01 0.40 -0.06 0.35 -0.57 0.00 0.00 179.45 179.56 1rpw h PHE 79 N 0.62 -0.15 -0.50 -1.35 3.57 -0.33 -0.69 116.94 118.10 1rpw h PHE 79 Ca 0.29 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.84 1rpw h PHE 79 Cb 0.33 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1rpw h PHE 79 CO -0.00 0.15 0.22 1.88 -2.23 0.00 0.00 178.31 178.32 1rpw h TYR 80 N -0.44 0.39 0.06 0.41 0.05 -0.64 -2.74 116.97 114.06 1rpw h TYR 80 Ca -0.02 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1rpw h TYR 80 Cb 0.36 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1rpw h TYR 80 CO 0.02 0.16 -0.03 1.25 -1.05 0.00 0.00 178.16 178.51 1rpw h LEU 81 N 0.42 -0.07 -0.91 3.88 5.85 -0.55 -2.60 115.31 121.33 1rpw h LEU 81 Ca 0.23 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1rpw h LEU 81 Cb 0.20 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1rpw h LEU 81 CO -0.20 0.25 0.57 0.22 -0.34 0.00 0.00 178.44 178.94 1rpw h TYR 82 N -0.41 1.04 -0.46 1.25 3.20 -1.10 -0.99 116.97 119.50 1rpw h TYR 82 Ca -0.01 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1rpw h TYR 82 Cb 0.36 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1rpw h TYR 82 CO 0.03 0.50 0.09 -0.91 -1.64 0.00 0.00 178.16 176.23 1rpw h ASN 83 N 1.00 0.73 -0.16 -2.11 -0.26 -1.48 -1.52 115.58 111.77 1rpw h ASN 83 Ca 0.41 -0.25 0.03 0.00 -0.56 0.00 0.00 56.30 55.93 1rpw h ASN 83 Cb 0.25 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 1rpw h ASN 83 CO -0.20 0.79 -0.02 -0.33 -1.06 0.00 0.00 177.43 176.61 1rpw h GLU 84 N 0.63 0.03 -0.63 0.81 5.08 -0.97 -2.47 114.58 117.06 1rpw h GLU 84 Ca 0.14 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1rpw h GLU 84 Cb 0.37 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1rpw h GLU 84 CO 0.01 0.02 0.24 -0.07 -1.00 0.00 0.00 179.01 178.21 1rpw h LEU 85 N 0.03 0.26 -1.95 1.33 4.07 -0.93 0.15 115.31 118.26 1rpw h LEU 85 Ca 0.08 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1rpw h LEU 85 Cb 0.10 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 1rpw h LEU 85 CO -0.15 0.15 -0.04 0.28 -1.08 0.00 0.00 178.44 177.60 1rpw h SER 86 N 0.43 0.00 0.00 -0.43 0.02 -0.91 0.14 113.55 112.80 1rpw h SER 86 Ca 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1rpw h SER 86 Cb 0.39 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1rpw h SER 86 CO -0.30 0.04 -0.15 0.25 -1.14 0.00 0.00 176.83 175.52 1rpw h LEU 87 N 0.00 0.00 -1.09 5.07 6.46 -0.57 -3.25 115.31 121.93 1rpw h LEU 87 Ca -0.00 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.38 1rpw h LEU 87 Cb 0.07 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1rpw h LEU 87 CO 0.01 0.75 0.11 0.71 -0.62 0.00 0.00 178.44 179.40 1rpw h THR 88 N -1.00 1.22 -0.40 1.05 1.35 -0.68 -3.02 112.91 111.43 1rpw h THR 88 Ca -0.03 -0.78 -0.12 0.00 -0.55 0.00 0.00 66.41 64.93 1rpw h THR 88 Cb 0.45 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1rpw h THR 88 CO -0.02 0.29 -0.24 0.71 -0.25 0.00 0.00 175.52 176.02 1rpw h THR 89 N 0.73 1.28 0.00 6.82 1.35 -0.89 -2.63 112.91 119.58 1rpw h THR 89 Ca 0.16 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1rpw h THR 89 Cb 0.28 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1rpw h THR 89 CO -0.00 0.46 0.00 1.05 -0.25 0.00 0.00 175.52 176.78 1rpw h GLU 90 N 0.67 0.00 -0.67 4.72 -0.00 -1.57 -1.84 114.58 115.90 1rpw h GLU 90 Ca 0.08 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.53 1rpw h GLU 90 Cb 0.81 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.51 1rpw h GLU 90 CO 0.07 0.00 0.44 -0.92 -0.00 0.00 0.00 179.01 178.60 1rpw h TYR 91 N 0.00 0.58 -0.44 2.06 3.20 -1.34 -2.96 116.97 118.07 1rpw h TYR 91 Ca 0.00 0.02 -0.32 0.00 3.14 0.00 0.00 58.73 61.56 1rpw h TYR 91 Cb 0.30 -0.19 -0.35 0.00 1.54 0.00 0.00 36.73 38.03 1rpw h TYR 91 CO 0.00 0.28 -0.89 2.48 -1.64 0.00 0.00 178.16 178.39 1rpw n TYR 92 N -4.48 1.52 -3.06 -3.82 0.18 -0.72 -5.02 117.16 101.75 1rpw n TYR 92 Ca 0.11 -1.87 -0.41 0.00 1.88 0.00 0.00 57.90 57.60 1rpw n TYR 92 Cb 0.33 -0.27 -0.06 0.00 -0.38 0.00 0.00 39.34 38.97 1rpw n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1rpw s TYR 93 N -3.17 3.28 0.17 -3.48 6.04 -1.01 -4.96 117.35 114.23 1rpw s TYR 93 Ca 0.39 0.88 -0.13 0.00 0.04 0.00 0.00 57.07 58.26 1rpw s TYR 93 Cb 0.37 -2.90 0.07 0.00 -1.04 0.00 0.00 41.96 38.46 1rpw s TYR 93 CO -0.03 -0.35 1.75 -1.35 -1.54 0.00 0.00 175.55 174.03 1rpw h PRO 94 N 7.86 0.83 0.00 4.97 0.11 -1.92 -2.84 132.00 141.02 1rpw h PRO 94 Ca -0.26 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1rpw h PRO 94 Cb 1.12 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1rpw h PRO 94 CO 0.80 0.68 -0.06 -0.07 -0.21 0.00 0.00 178.00 179.14 1rpw h LEU 95 N 0.79 0.00 -0.76 2.35 3.38 -1.92 -3.33 115.31 115.81 1rpw h LEU 95 Ca 0.20 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1rpw h LEU 95 Cb 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.75 1rpw h LEU 95 CO -0.02 0.06 -0.30 1.67 0.09 0.00 0.00 178.44 179.94 1rpw n GLN 96 N -3.22 -0.18 -0.07 1.13 -0.06 -1.07 -0.25 117.38 113.66 1rpw n GLN 96 Ca -0.00 1.17 -0.05 0.00 -2.00 0.00 0.00 57.00 56.11 1rpw n GLN 96 Cb 0.29 -1.73 0.15 0.00 -4.06 0.00 0.00 30.24 24.88 1rpw n GLN 96 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1rpw h ASN 97 N 0.00 0.70 0.49 1.69 2.35 -1.80 -1.90 115.58 117.11 1rpw h ASN 97 Ca 0.26 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 1rpw h ASN 97 Cb 0.45 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1rpw h ASN 97 CO -0.75 0.85 -0.60 0.00 -1.65 0.00 0.00 177.43 175.27 1rpw h ALA 98 N 1.22 0.94 0.05 -0.83 0.00 -0.85 -2.15 119.26 117.63 1rpw h ALA 98 Ca 0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1rpw h ALA 98 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rpw h ALA 98 CO 0.04 0.74 -0.02 0.82 0.00 0.00 0.00 179.25 180.82 1rpw h ILE 99 N 0.08 1.09 -0.37 0.00 2.04 -0.67 0.18 117.51 119.87 1rpw h ILE 99 Ca -0.01 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.45 1rpw h ILE 99 Cb 1.08 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 1rpw h ILE 99 CO 0.09 0.12 0.04 0.40 0.00 0.00 0.00 178.15 178.79 1rpw h ILE 100 N -0.27 0.77 0.21 -0.67 1.08 -1.27 0.60 117.51 117.96 1rpw h ILE 100 Ca -0.01 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1rpw h ILE 100 Cb 0.24 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 1rpw h ILE 100 CO 0.01 0.03 -0.46 -0.08 -0.69 0.00 0.00 178.15 176.96 1rpw h GLU 101 N 0.15 -0.73 -0.18 2.37 4.81 -1.22 -0.34 114.58 119.44 1rpw h GLU 101 Ca 0.18 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1rpw h GLU 101 Cb 0.23 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1rpw h GLU 101 CO -0.26 -0.48 -0.04 0.35 -0.73 0.00 0.00 179.01 177.84 1rpw h PHE 102 N -0.75 -0.08 0.73 0.92 3.04 -0.22 -3.19 116.94 117.38 1rpw h PHE 102 Ca -0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1rpw h PHE 102 Cb 0.74 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 1rpw h PHE 102 CO -0.35 -0.07 -0.48 -0.92 -2.02 0.00 0.00 178.31 174.47 1rpw h TYR 103 N 0.01 -1.29 0.00 0.41 3.20 0.36 -2.76 116.97 116.90 1rpw h TYR 103 Ca 0.09 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1rpw h TYR 103 Cb 0.13 0.47 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1rpw h TYR 103 CO -0.20 -0.70 -0.09 0.25 -1.64 0.00 0.00 178.16 175.78 1rpw n THR 104 N -5.47 1.89 -1.55 1.81 -2.24 -0.15 -1.74 114.28 106.83 1rpw n THR 104 Ca -0.14 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1rpw n THR 104 Cb 0.48 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1rpw n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1rpw n GLU 105 N 2.23 0.00 0.00 -0.78 2.13 -1.07 -4.92 120.64 118.23 1rpw n GLU 105 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1rpw n GLU 105 Cb 0.55 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1rpw n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1rpw n TYR 106 N 0.00 0.00 0.84 4.31 4.01 -0.71 -4.80 117.16 120.81 1rpw n TYR 106 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1rpw n TYR 106 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1rpw n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1rpw n TYR 107 N 0.00 0.00 0.40 -0.72 0.18 -0.86 -0.30 117.16 115.86 1rpw n TYR 107 Ca 0.00 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.82 1rpw n TYR 107 Cb 0.16 -0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.11 1rpw n TYR 107 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1rpw n LYS 108 N -0.45 2.32 -3.76 -3.48 2.85 -1.26 -4.90 118.16 109.49 1rpw n LYS 108 Ca 0.00 -0.52 -0.37 0.00 -1.05 0.00 0.00 58.31 56.37 1rpw n LYS 108 Cb 0.01 -1.04 -0.12 0.00 -0.65 0.00 0.00 35.03 33.23 1rpw n LYS 108 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1rpw s THR 109 N -1.33 3.61 0.54 0.58 2.01 0.59 -4.96 115.64 116.68 1rpw s THR 109 Ca 0.07 -1.41 0.26 0.00 0.31 0.00 0.00 61.69 60.92 1rpw s THR 109 Cb 0.07 -3.16 0.40 0.00 0.01 0.00 0.00 72.50 69.82 1rpw s THR 109 CO 0.24 -0.32 1.99 0.78 -0.69 0.00 0.00 174.62 176.62 1rpw h ASN 110 N 8.18 0.00 0.21 3.53 2.35 -1.91 0.86 115.58 128.80 1rpw h ASN 110 Ca -0.21 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 1rpw h ASN 110 Cb 1.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.44 1rpw h ASN 110 CO 0.64 0.00 -0.14 -1.28 -1.65 0.00 0.00 177.43 174.99 1rpw h SER 111 N 0.00 -0.37 -0.70 5.81 0.87 -1.92 0.17 113.55 117.41 1rpw h SER 111 Ca 0.24 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1rpw h SER 111 Cb 1.01 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 1rpw h SER 111 CO -0.00 -0.21 0.15 0.40 -0.53 0.00 0.00 176.83 176.64 1rpw h ILE 112 N -0.33 1.26 -0.01 2.23 1.08 -1.65 -2.64 117.51 117.44 1rpw h ILE 112 Ca -0.03 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1rpw h ILE 112 Cb 0.27 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1rpw h ILE 112 CO 0.02 0.38 0.01 -1.13 -0.69 0.00 0.00 178.15 176.74 1rpw h ASN 113 N 1.07 0.00 0.55 1.72 -0.00 0.77 -1.56 115.58 118.12 1rpw h ASN 113 Ca 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.49 1rpw h ASN 113 Cb 0.40 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.72 1rpw h ASN 113 CO 0.01 0.00 -0.26 -0.08 -0.00 0.00 0.00 177.43 177.09 1rpw h GLU 114 N 0.00 -0.71 -0.59 6.67 4.22 -0.27 -2.92 114.58 120.99 1rpw h GLU 114 Ca 0.01 0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.57 1rpw h GLU 114 Cb 0.03 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1rpw h GLU 114 CO -0.00 -0.47 0.39 0.87 -2.18 0.00 0.00 179.01 177.62 1rpw h LYS 115 N -0.85 0.48 -0.25 1.92 1.57 -1.59 0.45 116.57 118.31 1rpw h LYS 115 Ca -0.08 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1rpw h LYS 115 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1rpw h LYS 115 CO 0.12 0.32 0.18 0.52 -0.57 0.00 0.00 179.45 180.03 1rpw h MET 116 N 0.50 0.00 0.05 3.15 2.86 -1.24 -1.38 114.93 118.87 1rpw h MET 116 Ca 0.26 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.64 1rpw h MET 116 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1rpw h MET 116 CO -0.07 0.00 -1.32 -0.91 1.06 0.00 0.00 176.91 175.67 1rpw h ASN 117 N 0.00 0.18 -0.81 1.22 4.21 -0.71 -2.16 115.58 117.50 1rpw h ASN 117 Ca 0.12 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.41 1rpw h ASN 117 Cb 0.49 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.59 1rpw h ASN 117 CO -0.00 1.18 0.53 0.11 -1.29 0.00 0.00 177.43 177.96 1rpw h LYS 118 N 0.03 1.08 -0.13 0.81 6.56 -1.10 0.24 116.57 124.06 1rpw h LYS 118 Ca -0.15 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.36 1rpw h LYS 118 Cb 1.91 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 33.33 1rpw h LYS 118 CO 0.14 0.73 0.04 1.25 -2.06 0.00 0.00 179.45 179.54 1rpw h LEU 119 N 1.11 0.19 -0.94 2.94 5.85 -1.40 -2.10 115.31 120.96 1rpw h LEU 119 Ca 0.30 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1rpw h LEU 119 Cb -0.11 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1rpw h LEU 119 CO -0.06 0.36 0.60 -0.33 -0.34 0.00 0.00 178.44 178.67 1rpw h GLU 120 N 0.02 1.10 -0.27 1.25 5.08 -0.94 -0.67 114.58 120.15 1rpw h GLU 120 Ca 0.04 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1rpw h GLU 120 Cb 0.24 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1rpw h GLU 120 CO -0.00 0.73 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.82 1rpw h ASN 121 N 1.14 0.38 -0.67 1.42 -0.26 -0.23 -1.40 115.58 115.96 1rpw h ASN 121 Ca 0.39 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 56.03 1rpw h ASN 121 Cb 0.09 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 1rpw h ASN 121 CO -0.15 0.45 0.27 0.11 -1.06 0.00 0.00 177.43 177.05 1rpw h LYS 122 N 0.39 1.02 0.00 0.81 1.57 -0.44 -2.00 116.57 117.92 1rpw h LYS 122 Ca 0.09 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1rpw h LYS 122 Cb 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1rpw h LYS 122 CO 0.01 0.83 -0.53 1.88 -0.57 0.00 0.00 179.45 181.07 1rpw h TYR 123 N 1.00 0.00 0.00 -1.35 -1.99 -1.00 -3.02 116.97 110.61 1rpw h TYR 123 Ca 0.23 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.84 1rpw h TYR 123 Cb 0.19 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1rpw h TYR 123 CO 0.02 0.53 -0.58 0.82 -0.00 0.00 0.00 178.16 178.94 1rpw h ILE 124 N 0.00 1.35 -0.90 -2.88 2.04 -0.66 -3.19 117.51 113.27 1rpw h ILE 124 Ca -0.01 -2.04 0.20 0.00 1.00 0.00 0.00 64.86 64.02 1rpw h ILE 124 Cb 1.01 2.12 -0.07 0.00 -0.74 0.00 0.00 36.82 39.14 1rpw h ILE 124 CO 0.07 0.57 0.59 0.44 0.00 0.00 0.00 178.15 179.82 1rpw h ASP 125 N 0.00 0.43 -0.74 1.72 3.45 -1.25 0.06 116.42 120.09 1rpw h ASP 125 Ca -0.01 0.04 0.15 0.00 0.43 0.00 0.00 57.03 57.65 1rpw h ASP 125 Cb 1.07 -0.04 -0.10 0.00 -0.56 0.00 0.00 39.33 39.70 1rpw h ASP 125 CO 0.08 0.17 0.24 0.00 -1.57 0.00 0.00 179.24 178.16 1rpw h ALA 126 N 1.61 1.00 -0.10 3.45 0.00 -1.71 0.28 119.26 123.79 1rpw h ALA 126 Ca 0.47 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.48 1rpw h ALA 126 Cb 1.13 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1rpw h ALA 126 CO -0.18 -0.28 -0.09 1.88 0.00 0.00 0.00 179.25 180.57 1rpw h TYR 127 N 0.35 0.29 -0.56 0.00 0.05 -1.21 -1.96 116.97 113.93 1rpw h TYR 127 Ca 0.41 -0.09 0.11 0.00 0.05 0.00 0.00 58.73 59.22 1rpw h TYR 127 Cb 0.67 -0.06 -0.10 0.00 1.01 0.00 0.00 36.73 38.25 1rpw h TYR 127 CO -0.21 0.66 -0.05 1.25 -1.05 0.00 0.00 178.16 178.76 1rpw h HIS 128 N -0.16 -0.12 0.43 4.88 2.76 -0.56 0.39 115.15 122.77 1rpw h HIS 128 Ca 0.02 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1rpw h HIS 128 Cb 0.60 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1rpw h HIS 128 CO 0.09 -0.18 -0.21 0.28 -1.30 0.00 0.00 177.93 176.61 1rpw h VAL 129 N 0.07 0.58 -0.63 5.26 2.07 -0.43 0.14 116.25 123.31 1rpw h VAL 129 Ca 0.28 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.91 1rpw h VAL 129 Cb 0.44 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1rpw h VAL 129 CO -0.51 0.00 0.09 0.40 0.02 0.00 0.00 177.57 177.57 1rpw h ILE 130 N -0.59 0.56 -0.35 4.57 2.04 -0.49 0.51 117.51 123.77 1rpw h ILE 130 Ca -0.06 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1rpw h ILE 130 Cb 0.45 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1rpw h ILE 130 CO 0.10 0.04 -0.06 -0.26 0.00 0.00 0.00 178.15 177.97 1rpw h PHE 131 N 0.20 0.72 -0.20 1.37 0.04 0.00 0.43 116.94 119.50 1rpw h PHE 131 Ca 0.33 -0.15 0.03 0.00 2.80 0.00 0.00 57.97 60.99 1rpw h PHE 131 Cb 0.53 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1rpw h PHE 131 CO -0.29 0.80 0.02 -0.22 -0.60 0.00 0.00 178.31 178.01 1rpw h LYS 132 N 0.44 0.09 -0.58 1.51 3.64 -0.04 -2.23 116.57 119.40 1rpw h LYS 132 Ca 0.09 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1rpw h LYS 132 Cb 0.55 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1rpw h LYS 132 CO 0.03 0.06 0.15 0.93 -2.27 0.00 0.00 179.45 178.35 1rpw h GLU 133 N 0.09 0.89 -0.47 1.90 4.39 -0.82 -2.49 114.58 118.07 1rpw h GLU 133 Ca 0.09 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.62 1rpw h GLU 133 Cb 0.10 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1rpw h GLU 133 CO -0.14 0.79 0.31 0.78 -1.16 0.00 0.00 179.01 179.60 1rpw h GLY 134 N 1.00 0.64 0.77 -3.84 0.00 -0.34 -2.63 103.07 98.68 1rpw h GLY 134 Ca 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1rpw h GLY 134 CO -0.00 0.22 -0.37 3.43 0.00 0.00 0.00 176.54 179.82 1rpw h ASN 135 N 0.60 -0.87 0.00 0.19 -0.26 -0.98 -0.44 115.58 113.82 1rpw h ASN 135 Ca 0.18 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1rpw h ASN 135 Cb -0.00 0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1rpw h ASN 135 CO -0.04 -0.56 0.00 0.18 -1.06 0.00 0.00 177.43 175.95 1rpw n LEU 136 N -5.13 0.00 0.00 1.61 4.32 -1.01 -0.57 117.00 116.22 1rpw n LEU 136 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 1rpw n LEU 136 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1rpw n LEU 136 CO 0.31 0.00 0.30 0.59 -1.22 0.00 0.00 177.39 177.36 1rpw n ASN 137 N -0.58 0.40 -2.14 -1.43 4.13 -1.10 -5.02 115.26 109.52 1rpw n ASN 137 Ca 0.00 -1.20 -0.20 0.00 1.68 0.00 0.00 54.58 54.86 1rpw n ASN 137 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1rpw n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rpw n GLY 138 N -0.10 0.26 0.07 7.41 0.00 0.26 -4.82 105.19 108.28 1rpw n GLY 138 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1rpw n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rpw h GLU 139 N 0.00 0.01 -2.45 1.61 5.08 -1.31 -3.47 114.58 114.05 1rpw h GLU 139 Ca -0.45 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1rpw h GLU 139 Cb 1.33 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.50 1rpw h GLU 139 CO 0.56 0.98 0.44 1.67 -1.00 0.00 0.00 179.01 181.66 1rpw s TRP 140 N -2.79 -0.18 -0.28 4.33 -2.14 -1.20 -4.98 118.94 111.71 1rpw s TRP 140 Ca 0.01 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.64 1rpw s TRP 140 Cb 0.10 0.63 0.08 0.00 -3.10 0.00 0.00 33.47 31.19 1rpw s TRP 140 CO 0.82 -0.85 0.04 0.45 -2.66 0.00 0.00 176.95 174.74 1rpw s SER 141 N -2.88 3.95 -0.12 -2.66 0.15 -1.26 -3.85 113.70 107.04 1rpw s SER 141 Ca 0.11 -1.48 0.02 0.00 0.70 0.00 0.00 55.95 55.30 1rpw s SER 141 Cb -0.02 -1.05 -0.01 0.00 -1.71 0.00 0.00 66.02 63.23 1rpw s SER 141 CO 0.01 -0.34 -0.19 -0.63 1.20 0.00 0.00 173.24 173.29 1rpw s ILE 142 N 1.46 2.54 -2.41 6.45 1.01 -1.26 -4.95 121.20 124.04 1rpw s ILE 142 Ca 0.04 -0.85 0.23 0.00 0.00 0.00 0.00 60.65 60.07 1rpw s ILE 142 Cb -0.18 -2.02 0.08 0.00 0.01 0.00 0.00 42.46 40.34 1rpw s ILE 142 CO -0.14 0.54 1.14 -0.46 0.00 0.00 0.00 174.94 176.02 1rpw n ASN 143 N 3.54 2.43 -2.94 3.58 2.04 -1.26 -4.50 115.26 118.15 1rpw n ASN 143 Ca -0.19 -1.71 -0.22 0.00 -0.44 0.00 0.00 54.58 52.02 1rpw n ASN 143 Cb 0.53 0.26 -0.02 0.00 -2.53 0.00 0.00 39.78 38.02 1rpw n ASN 143 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1rpw n ASP 144 N 0.58 2.82 -0.13 0.53 5.75 -1.26 -4.97 116.55 119.87 1rpw n ASP 144 Ca 0.11 -3.33 -0.11 0.00 -0.01 0.00 0.00 54.79 51.45 1rpw n ASP 144 Cb 0.51 -0.56 -0.08 0.00 -1.03 0.00 0.00 41.12 39.96 1rpw n ASP 144 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1rpw h VAL 145 N 2.21 0.00 -0.98 2.12 2.07 -1.98 -0.02 116.25 119.67 1rpw h VAL 145 Ca 0.11 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.97 1rpw h VAL 145 Cb 0.81 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.42 1rpw h VAL 145 CO 0.67 0.00 0.46 0.78 0.02 0.00 0.00 177.57 179.50 1rpw h ASN 146 N -0.32 0.28 0.30 0.57 2.35 -1.94 0.33 115.58 117.15 1rpw h ASN 146 Ca 0.06 0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1rpw h ASN 146 Cb 0.49 0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1rpw h ASN 146 CO -0.52 -0.26 -0.14 0.00 -1.65 0.00 0.00 177.43 174.86 1rpw h ALA 147 N 1.90 -0.75 -0.74 -0.83 0.00 -1.46 -1.68 119.26 115.71 1rpw h ALA 147 Ca 0.73 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.77 1rpw h ALA 147 Cb 1.74 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1rpw h ALA 147 CO -0.70 -0.72 0.57 0.28 0.00 0.00 0.00 179.25 178.68 1rpw h VAL 148 N -0.56 0.54 -0.26 0.00 2.07 -0.73 0.40 116.25 117.71 1rpw h VAL 148 Ca -0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1rpw h VAL 148 Cb 0.30 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1rpw h VAL 148 CO 0.07 0.00 -0.13 0.28 0.02 0.00 0.00 177.57 177.81 1rpw h SER 149 N 0.00 0.56 -0.00 0.57 0.02 -0.26 0.66 113.55 115.10 1rpw h SER 149 Ca 0.35 -0.41 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 1rpw h SER 149 Cb 1.49 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 1rpw h SER 149 CO -0.00 0.84 -0.37 0.11 -1.14 0.00 0.00 176.83 176.27 1rpw h LYS 150 N 0.27 0.49 0.62 3.45 1.57 -0.00 -1.83 116.57 121.15 1rpw h LYS 150 Ca 0.06 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1rpw h LYS 150 Cb 0.63 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1rpw h LYS 150 CO 0.04 0.79 -0.30 0.82 -0.57 0.00 0.00 179.45 180.23 1rpw h ILE 151 N 0.42 0.26 -0.07 1.86 2.04 -1.04 -1.79 117.51 119.19 1rpw h ILE 151 Ca 0.04 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1rpw h ILE 151 Cb 0.83 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1rpw h ILE 151 CO 0.07 0.03 -0.39 0.00 0.00 0.00 0.00 178.15 177.86 1rpw h ALA 152 N -0.82 -0.56 -0.49 1.87 0.00 -0.86 0.23 119.26 118.64 1rpw h ALA 152 Ca -0.09 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1rpw h ALA 152 Cb 0.69 0.71 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1rpw h ALA 152 CO 0.14 -0.90 -0.51 0.00 0.00 0.00 0.00 179.25 177.98 1rpw h ALA 153 N 0.15 -0.60 -0.46 0.00 0.00 -1.33 0.23 119.26 117.24 1rpw h ALA 153 Ca 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1rpw h ALA 153 Cb 0.61 1.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1rpw h ALA 153 CO -0.34 -0.96 -0.04 -0.91 0.00 0.00 0.00 179.25 177.00 1rpw h ASN 154 N -0.32 0.75 0.25 0.00 2.35 -0.91 -0.14 115.58 117.56 1rpw h ASN 154 Ca 0.12 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1rpw h ASN 154 Cb 0.58 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1rpw h ASN 154 CO -0.64 0.84 -0.12 0.00 -1.65 0.00 0.00 177.43 175.86 1rpw h ALA 155 N 1.24 -0.33 -0.37 -0.83 0.00 0.26 -1.15 119.26 118.07 1rpw h ALA 155 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1rpw h ALA 155 Cb 0.49 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1rpw h ALA 155 CO 0.03 -0.62 0.14 0.28 0.00 0.00 0.00 179.25 179.07 1rpw h VAL 156 N -0.47 0.91 -0.13 0.00 2.07 -0.43 -0.51 116.25 117.68 1rpw h VAL 156 Ca -0.03 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1rpw h VAL 156 Cb 0.36 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1rpw h VAL 156 CO 0.06 0.05 0.10 -1.13 0.02 0.00 0.00 177.57 176.67 1rpw h ASN 157 N 0.29 0.00 -0.26 0.57 -1.24 -0.87 -1.22 115.58 112.86 1rpw h ASN 157 Ca 0.16 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.02 1rpw h ASN 157 Cb 0.13 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1rpw h ASN 157 CO -0.16 0.00 -0.40 1.23 -1.29 0.00 0.00 177.43 176.81 1rpw h GLY 158 N 0.00 0.88 1.55 1.57 0.00 0.18 -0.09 103.07 107.16 1rpw h GLY 158 Ca 0.06 -0.90 -0.13 0.00 0.00 0.00 0.00 47.33 46.36 1rpw h GLY 158 CO -0.00 0.81 -0.41 -2.22 0.00 0.00 0.00 176.54 174.73 1rpw h ILE 159 N 0.66 1.30 -0.21 2.60 2.04 -0.51 -1.06 117.51 122.33 1rpw h ILE 159 Ca 0.05 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.23 1rpw h ILE 159 Cb 0.97 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1rpw h ILE 159 CO 0.09 0.49 -0.32 0.58 0.00 0.00 0.00 178.15 178.98 1rpw h VAL 160 N 0.41 1.33 0.10 1.67 2.07 -1.14 -3.34 116.25 117.35 1rpw h VAL 160 Ca 0.04 -1.54 -0.27 0.00 0.82 0.00 0.00 66.70 65.75 1rpw h VAL 160 Cb 0.89 1.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1rpw h VAL 160 CO 0.08 0.48 -1.18 0.74 0.02 0.00 0.00 177.57 177.70 1rpw h THR 161 N 0.27 1.39 -0.89 2.57 2.02 -0.95 -3.38 112.91 113.94 1rpw h THR 161 Ca 0.02 -2.69 -0.59 0.00 0.77 0.00 0.00 66.41 63.92 1rpw h THR 161 Cb 0.91 2.74 -0.30 0.00 -1.74 0.00 0.00 68.15 69.75 1rpw h THR 161 CO 0.07 0.80 0.42 0.49 0.37 0.00 0.00 175.52 177.68 1rpw n PHE 162 N -3.68 2.93 0.00 3.16 3.01 -0.41 -4.48 117.46 117.99 1rpw n PHE 162 Ca -0.10 -2.59 0.00 0.00 1.01 0.00 0.00 57.45 55.77 1rpw n PHE 162 Cb 0.97 -1.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1rpw n PHE 162 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1rpw n THR 163 N -0.93 0.00 0.00 4.37 -1.04 -1.25 -4.99 114.28 110.44 1rpw n THR 163 Ca 0.56 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.57 1rpw n THR 163 Cb 0.89 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.24 1rpw n THR 163 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1rpw n HIS 164 N -0.75 0.00 -0.28 -1.42 -0.00 -1.26 -2.06 115.22 109.46 1rpw n HIS 164 Ca 0.00 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.27 1rpw n HIS 164 Cb 0.09 0.00 0.23 0.00 -0.12 0.00 0.00 29.99 30.19 1rpw n HIS 164 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1rpw h GLU 165 N 0.00 0.19 -7.01 1.57 9.09 -1.97 -3.43 114.58 113.02 1rpw h GLU 165 Ca 0.00 -0.01 -0.55 0.00 0.05 0.00 0.00 59.36 58.85 1rpw h GLU 165 Cb 0.00 -0.04 0.18 0.00 -1.65 0.00 0.00 28.75 27.24 1rpw h GLU 165 CO 0.00 0.13 0.13 1.04 0.05 0.00 0.00 179.01 180.36 1rpw n GLN 166 N -5.24 0.39 -1.91 1.06 6.02 -0.87 -4.91 117.38 111.92 1rpw n GLN 166 Ca 0.17 0.19 -0.37 0.00 -0.01 0.00 0.00 57.00 56.99 1rpw n GLN 166 Cb 0.57 -2.26 0.04 0.00 1.02 0.00 0.00 30.24 29.60 1rpw n GLN 166 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rpw s ASN 167 N -1.78 5.25 0.50 1.08 4.22 -1.26 -4.80 114.94 118.16 1rpw s ASN 167 Ca 0.73 2.57 0.28 0.00 -2.14 0.00 0.00 52.86 54.29 1rpw s ASN 167 Cb -0.32 -2.62 1.37 0.00 1.28 0.00 0.00 41.25 40.96 1rpw s ASN 167 CO 0.51 -1.56 1.88 -0.29 -2.04 0.00 0.00 177.10 175.60 1rpw h ILE 168 N 1.18 0.59 -0.11 0.54 -0.00 -1.91 -0.69 117.51 117.11 1rpw h ILE 168 Ca -0.51 -0.04 -0.22 0.00 -0.00 0.00 0.00 64.86 64.10 1rpw h ILE 168 Cb 1.30 0.47 0.01 0.00 -0.00 0.00 0.00 36.82 38.60 1rpw h ILE 168 CO 0.56 0.02 -0.80 0.78 -0.00 0.00 0.00 178.15 178.71 1rpw h ASN 169 N 0.11 0.89 -0.28 2.19 4.21 -1.99 -2.39 115.58 118.32 1rpw h ASN 169 Ca 0.44 -0.66 0.06 0.00 1.21 0.00 0.00 56.30 57.34 1rpw h ASN 169 Cb 1.55 -0.27 -0.06 0.00 -1.12 0.00 0.00 38.32 38.43 1rpw h ASN 169 CO -0.06 1.41 -0.09 -0.08 -1.29 0.00 0.00 177.43 177.33 1rpw h GLU 170 N 0.44 -0.03 0.55 0.81 4.57 -1.49 0.15 114.58 119.57 1rpw h GLU 170 Ca -0.07 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1rpw h GLU 170 Cb 1.44 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 1rpw h GLU 170 CO 0.16 -0.02 -0.43 0.00 -1.18 0.00 0.00 179.01 177.55 1rpw h ARG 171 N -0.03 -0.92 -0.87 1.92 2.47 -1.48 0.22 114.38 115.68 1rpw h ARG 171 Ca 0.14 0.06 0.21 0.00 -1.26 0.00 0.00 59.98 59.13 1rpw h ARG 171 Cb 0.24 0.21 -0.12 0.00 -1.65 0.00 0.00 29.97 28.65 1rpw h ARG 171 CO -0.30 -0.61 0.36 0.82 0.56 0.00 0.00 179.97 180.80 1rpw h ILE 172 N -0.95 0.49 0.34 2.04 1.08 -1.09 0.25 117.51 119.67 1rpw h ILE 172 Ca -0.06 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1rpw h ILE 172 Cb 0.80 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1rpw h ILE 172 CO 0.00 0.07 -0.16 0.50 -0.69 0.00 0.00 178.15 177.87 1rpw h LYS 173 N 0.40 -0.44 -0.25 2.37 3.11 0.21 -0.47 116.57 121.49 1rpw h LYS 173 Ca 0.53 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 58.43 1rpw h LYS 173 Cb 0.99 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 32.29 1rpw h LYS 173 CO -0.52 -0.28 0.09 -0.07 -2.81 0.00 0.00 179.45 175.87 1rpw h LEU 174 N -0.49 0.12 -0.15 5.20 3.38 0.88 0.32 115.31 124.58 1rpw h LEU 174 Ca -0.05 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1rpw h LEU 174 Cb 0.37 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1rpw h LEU 174 CO 0.08 0.10 -0.23 -0.03 0.09 0.00 0.00 178.44 178.45 1rpw h MET 175 N 0.22 -0.27 -0.23 1.13 4.05 -0.42 0.36 114.93 119.77 1rpw h MET 175 Ca 0.11 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1rpw h MET 175 Cb 0.07 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1rpw h MET 175 CO -0.10 -0.18 0.15 -0.91 0.23 0.00 0.00 176.91 176.10 1rpw h ASN 176 N -0.28 0.25 -0.00 1.39 2.35 -0.70 0.30 115.58 118.89 1rpw h ASN 176 Ca 0.11 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1rpw h ASN 176 Cb 0.44 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1rpw h ASN 176 CO -0.31 0.18 0.00 0.50 -1.65 0.00 0.00 177.43 176.16 1rpw h LYS 177 N 0.30 0.01 -0.19 0.81 1.63 0.96 -2.01 116.57 118.07 1rpw h LYS 177 Ca 0.08 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.93 1rpw h LYS 177 Cb -0.02 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 1rpw h LYS 177 CO -0.02 0.30 -0.14 0.35 -3.45 0.00 0.00 179.45 176.49 1rpw h PHE 178 N -0.29 -0.35 -0.30 1.91 3.57 0.92 0.33 116.94 122.72 1rpw h PHE 178 Ca 0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.61 1rpw h PHE 178 Cb 0.30 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1rpw h PHE 178 CO 0.03 -0.21 0.39 0.77 -2.23 0.00 0.00 178.31 177.06 1rpw h SER 179 N -0.14 0.00 0.00 0.41 0.02 -0.27 -0.58 113.55 112.99 1rpw h SER 179 Ca 0.11 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1rpw h SER 179 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1rpw h SER 179 CO -0.28 0.00 -0.21 -0.61 -1.14 0.00 0.00 176.83 174.59 1rpw h GLN 180 N 0.00 0.00 -0.50 3.45 4.15 -0.23 -3.01 115.11 118.97 1rpw h GLN 180 Ca 0.14 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.66 1rpw h GLN 180 Cb 0.92 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.53 1rpw h GLN 180 CO -0.00 0.52 0.06 0.82 -1.93 0.00 0.00 178.83 178.30 1rpw h ILE 181 N -1.00 0.67 0.59 2.39 2.04 -0.68 -0.03 117.51 121.49 1rpw h ILE 181 Ca -0.04 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1rpw h ILE 181 Cb 0.62 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1rpw h ILE 181 CO -0.03 0.03 -0.28 0.15 0.00 0.00 0.00 178.15 178.03 1rpw h PHE 182 N 0.19 -0.73 -0.41 1.37 3.04 -1.29 -2.03 116.94 117.07 1rpw h PHE 182 Ca 0.26 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.29 1rpw h PHE 182 Cb 0.37 0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 1rpw h PHE 182 CO -0.26 -0.41 0.29 1.25 -2.02 0.00 0.00 178.31 177.15 1rpw h LEU 183 N -0.91 0.11 -0.39 0.59 5.85 -1.37 -1.89 115.31 117.30 1rpw h LEU 183 Ca -0.08 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.49 1rpw h LEU 183 Cb 0.65 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1rpw h LEU 183 CO 0.13 0.07 -0.34 -1.13 -0.34 0.00 0.00 178.44 176.83 1rpw h ASN 184 N 0.12 0.97 0.00 1.25 -0.00 -0.65 -3.10 115.58 114.17 1rpw h ASN 184 Ca 0.19 -0.45 0.00 0.00 -0.00 0.00 0.00 56.30 56.04 1rpw h ASN 184 Cb 0.61 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.66 1rpw h ASN 184 CO -0.02 1.22 0.00 0.61 -0.00 0.00 0.00 177.43 179.24 1rpw n GLY 185 N 0.09 1.79 0.02 1.57 0.00 -0.71 -2.81 105.19 105.14 1rpw n GLY 185 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1rpw n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rpw n LEU 186 N 0.49 0.43 -0.31 0.99 4.77 -1.17 -5.07 117.00 117.13 1rpw n LEU 186 Ca 0.00 -0.66 0.04 0.00 -0.03 0.00 0.00 56.01 55.36 1rpw n LEU 186 Cb 0.44 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1rpw n LEU 186 CO 0.00 0.10 0.37 -1.54 -1.33 0.00 0.00 177.39 174.99