#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rld h ASP 7 N 0.00 -0.15 -0.09 4.39 3.04 -1.99 0.51 116.42 122.13 2rld h ASP 7 Ca 0.00 0.03 -0.20 0.00 -3.24 0.00 0.00 57.03 53.62 2rld h ASP 7 Cb 0.00 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 2rld h ASP 7 CO 0.00 -0.08 -0.66 0.78 -2.04 0.00 0.00 179.24 177.24 2rld h ASN 8 N -0.08 0.82 -0.34 4.15 2.35 -2.05 -2.50 115.58 117.92 2rld h ASN 8 Ca 0.03 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2rld h ASN 8 Cb 0.12 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2rld h ASN 8 CO -0.07 1.27 0.21 0.58 -1.65 0.00 0.00 177.43 177.77 2rld h VAL 9 N 0.52 1.11 -0.12 2.81 2.07 -1.97 -1.10 116.25 119.57 2rld h VAL 9 Ca -0.02 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 2rld h VAL 9 Cb 1.26 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2rld h VAL 9 CO 0.13 0.11 -0.39 1.62 0.02 0.00 0.00 177.57 179.07 2rld h VAL 10 N 0.45 1.30 0.41 2.57 3.04 -0.88 0.17 116.25 123.30 2rld h VAL 10 Ca 0.12 -1.47 -0.02 0.00 -1.01 0.00 0.00 66.70 64.32 2rld h VAL 10 Cb 0.00 1.65 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2rld h VAL 10 CO -0.02 0.44 -0.22 0.11 -1.01 0.00 0.00 177.57 176.87 2rld h LYS 11 N 0.21 -0.56 -0.32 4.17 1.57 -1.23 -0.68 116.57 119.74 2rld h LYS 11 Ca 0.02 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2rld h LYS 11 Cb 0.79 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2rld h LYS 11 CO 0.06 -0.37 0.19 0.22 -0.57 0.00 0.00 179.45 178.98 2rld h ASP 12 N -0.58 0.38 -0.28 0.86 3.58 -0.79 -2.14 116.42 117.45 2rld h ASP 12 Ca -0.05 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.24 2rld h ASP 12 Cb 0.46 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2rld h ASP 12 CO 0.07 0.33 -0.15 0.11 -2.88 0.00 0.00 179.24 176.72 2rld h LYS 13 N 0.40 0.72 -0.23 0.28 1.57 -0.65 -1.74 116.57 116.92 2rld h LYS 13 Ca 0.11 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 2rld h LYS 13 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2rld h LYS 13 CO -0.02 0.83 -0.36 0.66 -0.57 0.00 0.00 179.45 179.99 2rld h SER 14 N 0.65 0.54 -0.19 0.86 4.64 -0.92 -0.16 113.55 118.95 2rld h SER 14 Ca 0.10 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2rld h SER 14 Cb 0.62 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2rld h SER 14 CO 0.04 0.85 -0.00 0.25 -0.87 0.00 0.00 176.83 177.11 2rld h LEU 15 N 0.43 0.34 -1.01 5.97 5.85 -1.13 -0.36 115.31 125.40 2rld h LEU 15 Ca 0.05 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.48 2rld h LEU 15 Cb 0.83 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2rld h LEU 15 CO 0.07 0.56 0.67 -0.33 -0.34 0.00 0.00 178.44 179.07 2rld h GLU 16 N 0.10 1.29 -0.50 1.25 4.39 -1.19 -1.95 114.58 117.98 2rld h GLU 16 Ca 0.05 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 2rld h GLU 16 Cb 0.39 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2rld h GLU 16 CO 0.01 0.85 -0.07 0.35 -1.16 0.00 0.00 179.01 178.99 2rld h PHE 17 N 1.33 1.04 -0.67 4.33 3.57 -0.89 -0.72 116.94 124.93 2rld h PHE 17 Ca 0.38 -0.21 0.07 0.00 3.53 0.00 0.00 57.97 61.75 2rld h PHE 17 Cb -0.09 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.33 2rld h PHE 17 CO -0.00 0.98 0.36 0.00 -2.23 0.00 0.00 178.31 177.42 2rld h ALA 18 N 0.91 0.91 -0.43 2.41 0.00 -0.62 -0.27 119.26 122.18 2rld h ALA 18 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2rld h ALA 18 Cb 0.62 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2rld h ALA 18 CO 0.04 0.00 0.21 0.28 0.00 0.00 0.00 179.25 179.78 2rld h VAL 19 N 0.64 1.18 -0.94 0.00 2.07 -0.94 -0.49 116.25 117.77 2rld h VAL 19 Ca 0.31 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.45 2rld h VAL 19 Cb 0.25 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 2rld h VAL 19 CO -0.21 0.19 0.60 0.03 0.02 0.00 0.00 177.57 178.20 2rld h ARG 20 N 0.55 0.89 -0.35 1.57 3.08 -0.39 -0.57 114.38 119.17 2rld h ARG 20 Ca 0.15 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 2rld h ARG 20 Cb 0.11 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2rld h ARG 20 CO -0.02 0.59 -0.37 0.82 -1.07 0.00 0.00 179.97 179.92 2rld h ILE 21 N 0.92 1.28 -0.69 2.04 1.08 -0.57 0.35 117.51 121.91 2rld h ILE 21 Ca 0.45 -1.55 0.01 0.00 -0.39 0.00 0.00 64.86 63.38 2rld h ILE 21 Cb 0.46 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.63 2rld h ILE 21 CO -0.21 0.51 0.45 0.58 -0.69 0.00 0.00 178.15 178.80 2rld h VAL 22 N 0.67 1.16 -0.22 1.67 2.07 -0.50 -0.27 116.25 120.83 2rld h VAL 22 Ca 0.05 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2rld h VAL 22 Cb 0.97 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2rld h VAL 22 CO 0.09 0.17 -0.23 0.78 0.02 0.00 0.00 177.57 178.40 2rld h ASN 23 N 0.92 0.39 -0.43 0.57 2.35 -0.84 -1.71 115.58 116.83 2rld h ASN 23 Ca 0.26 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 2rld h ASN 23 Cb -0.09 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2rld h ASN 23 CO -0.06 0.63 -0.02 0.25 -1.65 0.00 0.00 177.43 176.58 2rld h LEU 24 N 0.36 0.76 -0.33 1.61 5.85 -0.48 -2.06 115.31 121.01 2rld h LEU 24 Ca 0.06 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.51 2rld h LEU 24 Cb 0.61 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2rld h LEU 24 CO 0.04 0.89 0.04 0.22 -0.34 0.00 0.00 178.44 179.29 2rld h TYR 25 N 0.61 0.05 -0.64 1.25 3.20 -0.73 0.44 116.97 121.15 2rld h TYR 25 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2rld h TYR 25 Cb 0.52 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2rld h TYR 25 CO 0.04 -0.02 0.40 0.87 -1.64 0.00 0.00 178.16 177.81 2rld h LYS 26 N 0.14 0.85 -0.09 1.82 1.57 -1.15 0.51 116.57 120.23 2rld h LYS 26 Ca 0.16 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2rld h LYS 26 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2rld h LYS 26 CO -0.23 0.59 0.02 0.35 -0.57 0.00 0.00 179.45 179.61 2rld h PHE 27 N 0.86 0.03 -0.01 -1.35 3.57 -0.94 0.16 116.94 119.26 2rld h PHE 27 Ca 0.23 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2rld h PHE 27 Cb -0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2rld h PHE 27 CO -0.02 0.01 0.01 -0.07 -2.23 0.00 0.00 178.31 176.01 2rld h LEU 28 N 0.06 0.02 -0.08 0.59 3.38 -0.58 -0.12 115.31 118.58 2rld h LEU 28 Ca 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2rld h LEU 28 Cb 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2rld h LEU 28 CO -0.05 0.14 -0.10 0.58 0.09 0.00 0.00 178.44 179.09 2rld h VAL 29 N -0.11 1.39 0.12 1.22 2.07 -0.80 0.20 116.25 120.34 2rld h VAL 29 Ca 0.00 -1.32 -0.19 0.00 0.82 0.00 0.00 66.70 66.01 2rld h VAL 29 Cb 0.12 2.08 0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2rld h VAL 29 CO -0.00 0.37 -0.82 0.78 0.02 0.00 0.00 177.57 177.92 2rld h ASN 30 N -0.24 0.50 0.07 0.57 2.35 -0.68 -2.90 115.58 115.26 2rld h ASN 30 Ca 0.01 -0.92 -0.35 0.00 -0.55 0.00 0.00 56.30 54.48 2rld h ASN 30 Cb 0.65 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 2rld h ASN 30 CO 0.02 1.38 -2.00 -0.62 -1.65 0.00 0.00 177.43 174.57 2rld n GLU 31 N -4.12 0.70 0.00 0.81 -0.58 -0.11 -4.46 120.64 112.87 2rld n GLU 31 Ca -0.13 0.30 0.12 0.00 -0.42 0.00 0.00 57.16 57.02 2rld n GLU 31 Cb 0.82 -1.67 0.23 0.00 -0.57 0.00 0.00 31.44 30.25 2rld n GLU 31 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2rld n GLN 32 N -3.66 0.72 -4.00 3.49 1.13 -0.85 -4.96 117.38 109.25 2rld n GLN 32 Ca -0.36 -0.49 -0.28 0.00 -1.94 0.00 0.00 57.00 53.93 2rld n GLN 32 Cb 0.96 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.80 2rld n GLN 32 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2rld n LYS 33 N -0.71 -3.41 -3.94 -1.09 4.76 -0.28 -4.95 118.16 108.54 2rld n LYS 33 Ca 0.10 0.41 -0.35 0.00 -2.87 0.00 0.00 58.31 55.60 2rld n LYS 33 Cb 0.37 -4.70 -0.14 0.00 -1.84 0.00 0.00 35.03 28.72 2rld n LYS 33 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2rld s GLU 34 N -6.63 2.94 0.00 1.97 -6.30 -0.10 -4.97 118.70 105.62 2rld s GLU 34 Ca 0.19 -0.91 0.07 0.00 -2.50 0.00 0.00 54.97 51.81 2rld s GLU 34 Cb -0.10 -3.02 -0.03 0.00 0.00 0.00 0.00 34.13 30.99 2rld s GLU 34 CO 0.89 -0.37 0.43 1.19 0.02 0.00 0.00 175.26 177.43 2rld n PHE 35 N 4.71 0.00 0.14 5.30 3.72 -1.26 -3.48 117.46 126.58 2rld n PHE 35 Ca -0.17 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.33 2rld n PHE 35 Cb 0.48 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.21 2rld n PHE 35 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2rld n VAL 36 N -0.63 0.60 0.00 -4.37 0.31 -1.26 -3.78 118.33 109.21 2rld n VAL 36 Ca 0.02 -0.80 0.00 0.00 -0.01 0.00 0.00 64.34 63.55 2rld n VAL 36 Cb 0.13 0.86 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 2rld n VAL 36 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2rld n SER 38 N 1.23 0.00 -0.33 4.52 3.41 -1.26 -2.65 113.62 118.54 2rld n SER 38 Ca 0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.74 2rld n SER 38 Cb 0.54 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.57 2rld n SER 38 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2rld h LYS 39 N 0.00 1.19 -0.38 4.33 3.64 -1.88 -0.99 116.57 122.48 2rld h LYS 39 Ca 0.00 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 2rld h LYS 39 Cb 0.00 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 2rld h LYS 39 CO 0.00 0.82 0.14 1.96 -2.27 0.00 0.00 179.45 180.09 2rld h GLN 40 N 1.21 0.57 0.00 1.90 1.08 -1.83 -2.63 115.11 115.41 2rld h GLN 40 Ca 0.32 -0.11 -0.11 0.00 -1.45 0.00 0.00 58.65 57.29 2rld h GLN 40 Cb -0.08 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 2rld h GLN 40 CO -0.06 0.57 -0.54 0.97 -0.95 0.00 0.00 178.83 178.81 2rld h ILE 41 N 0.46 1.10 -0.34 2.54 2.10 -1.82 -1.62 117.51 119.94 2rld h ILE 41 Ca 0.12 -2.09 -0.00 0.00 1.08 0.00 0.00 64.86 63.97 2rld h ILE 41 Cb 0.22 2.23 -0.02 0.00 -1.09 0.00 0.00 36.82 38.16 2rld h ILE 41 CO -0.01 0.53 0.20 0.25 -1.08 0.00 0.00 178.15 178.04 2rld h LEU 42 N 0.00 0.41 0.23 2.19 5.85 -1.10 0.10 115.31 122.99 2rld h LEU 42 Ca -0.01 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2rld h LEU 42 Cb 1.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2rld h LEU 42 CO 0.07 0.35 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.32 2rld h ARG 43 N 0.44 -0.30 -0.48 1.25 2.43 -1.08 -2.64 114.38 114.00 2rld h ARG 43 Ca 0.12 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2rld h ARG 43 Cb 0.02 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2rld h ARG 43 CO -0.02 -0.06 -0.03 0.66 -1.51 0.00 0.00 179.97 179.01 2rld h SER 44 N -0.51 0.85 -0.35 -3.80 4.64 -1.22 -1.25 113.55 111.91 2rld h SER 44 Ca -0.03 -0.32 -0.11 0.00 -0.47 0.00 0.00 61.79 60.86 2rld h SER 44 Cb 0.38 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2rld h SER 44 CO 0.05 0.97 -0.16 1.23 -0.87 0.00 0.00 176.83 178.05 2rld h GLY 45 N 0.71 0.88 1.65 -0.77 0.00 -0.83 -2.45 103.07 102.26 2rld h GLY 45 Ca 0.13 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 2rld h GLY 45 CO 0.03 0.65 -0.57 -0.91 0.00 0.00 0.00 176.54 175.74 2rld h THR 46 N 0.72 0.35 0.00 4.70 1.35 -1.47 -3.32 112.91 115.25 2rld h THR 46 Ca 0.11 -1.54 -0.04 0.00 -0.55 0.00 0.00 66.41 64.39 2rld h THR 46 Cb 0.67 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 2rld h THR 46 CO 0.05 0.20 -0.17 0.28 -0.25 0.00 0.00 175.52 175.63 2rld h SER 47 N 0.00 0.00 0.54 5.36 0.02 -0.74 -2.90 113.55 115.83 2rld h SER 47 Ca -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2rld h SER 47 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 2rld h SER 47 CO 0.03 0.17 -0.48 0.40 -1.14 0.00 0.00 176.83 175.81 2rld h ILE 48 N 0.00 0.00 -0.93 3.27 2.04 -1.61 -1.56 117.51 118.72 2rld h ILE 48 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2rld h ILE 48 Cb 0.56 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 2rld h ILE 48 CO 0.02 0.00 0.61 1.23 0.00 0.00 0.00 178.15 180.01 2rld h GLY 49 N -1.00 1.33 0.43 5.37 0.00 -1.77 -2.01 103.07 105.43 2rld h GLY 49 Ca -0.07 -0.47 0.11 0.00 0.00 0.00 0.00 47.33 46.89 2rld h GLY 49 CO -0.02 0.43 0.43 0.00 0.00 0.00 0.00 176.54 177.38 2rld h ALA 50 N 1.36 1.15 -0.03 3.60 0.00 -1.42 -0.10 119.26 123.82 2rld h ALA 50 Ca 0.36 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.13 2rld h ALA 50 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2rld h ALA 50 CO -0.10 0.01 -0.81 -0.91 0.00 0.00 0.00 179.25 177.44 2rld h ASN 51 N 0.70 0.35 -0.81 0.00 2.35 -0.92 -1.84 115.58 115.40 2rld h ASN 51 Ca 0.40 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2rld h ASN 51 Cb 0.44 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 2rld h ASN 51 CO -0.28 1.02 0.44 0.40 -1.65 0.00 0.00 177.43 177.35 2rld h ILE 52 N 0.17 1.24 -0.18 2.81 2.04 -0.87 0.45 117.51 123.17 2rld h ILE 52 Ca -0.04 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2rld h ILE 52 Cb 1.41 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2rld h ILE 52 CO 0.13 0.28 0.06 -0.09 0.00 0.00 0.00 178.15 178.53 2rld h ARG 53 N 1.15 0.28 -0.78 2.37 2.43 -0.70 -1.08 114.38 118.05 2rld h ARG 53 Ca 0.29 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2rld h ARG 53 Cb 0.05 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2rld h ARG 53 CO -0.04 0.38 0.48 0.93 -1.51 0.00 0.00 179.97 180.21 2rld h GLU 54 N 0.12 0.89 -0.45 0.20 5.08 -0.87 -2.06 114.58 117.49 2rld h GLU 54 Ca 0.06 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2rld h GLU 54 Cb 0.21 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 2rld h GLU 54 CO -0.00 0.59 0.16 0.00 -1.00 0.00 0.00 179.01 178.76 2rld h ALA 55 N 1.35 0.54 -0.25 3.43 0.00 -0.55 -0.35 119.26 123.43 2rld h ALA 55 Ca 0.33 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.32 2rld h ALA 55 Cb 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2rld h ALA 55 CO -0.14 -0.23 0.17 1.49 0.00 0.00 0.00 179.25 180.54 2rld h GLU 56 N 0.33 0.23 -0.01 0.00 4.22 -0.60 -1.18 114.58 117.57 2rld h GLU 56 Ca 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.64 2rld h GLU 56 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2rld h GLU 56 CO -0.22 0.15 -0.06 1.04 -2.18 0.00 0.00 179.01 177.74 2rld n GLN 57 N -4.50 1.36 -1.81 1.92 1.13 -0.40 -4.96 117.38 110.12 2rld n GLN 57 Ca 0.02 -0.73 -0.41 0.00 -1.94 0.00 0.00 57.00 53.94 2rld n GLN 57 Cb 0.15 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.00 2rld n GLN 57 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rld s ALA 58 N -2.14 3.69 -1.50 -1.58 0.00 -0.28 -4.92 121.76 115.02 2rld s ALA 58 Ca 0.35 1.55 0.27 0.00 0.00 0.00 0.00 51.96 54.13 2rld s ALA 58 Cb 0.21 -3.63 0.84 0.00 0.00 0.00 0.00 23.12 20.54 2rld s ALA 58 CO 0.39 -0.98 1.62 1.04 0.00 0.00 0.00 175.76 177.83 2rld n GLN 59 N 1.72 0.55 -3.98 0.00 1.13 -1.26 -4.90 117.38 110.65 2rld n GLN 59 Ca 0.06 -0.28 -0.10 0.00 -1.94 0.00 0.00 57.00 54.74 2rld n GLN 59 Cb 0.38 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.17 2rld n GLN 59 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2rld s SER 60 N -2.65 0.04 0.12 1.08 1.04 -1.26 -5.06 113.70 107.02 2rld s SER 60 Ca 0.22 -0.90 -0.12 0.00 0.48 0.00 0.00 55.95 55.62 2rld s SER 60 Cb 0.19 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.67 2rld s SER 60 CO 0.55 -0.90 1.42 -0.09 0.98 0.00 0.00 173.24 175.20 2rld h ARG 61 N 2.54 0.84 -0.86 4.02 2.43 -1.99 -1.80 114.38 119.56 2rld h ARG 61 Ca -0.32 -0.49 0.01 0.00 -0.81 0.00 0.00 59.98 58.38 2rld h ARG 61 Cb 1.23 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.77 2rld h ARG 61 CO 0.48 1.13 0.57 0.00 -1.51 0.00 0.00 179.97 180.63 2rld h ALA 62 N 0.71 1.10 -0.54 2.80 0.00 -1.99 -0.53 119.26 120.81 2rld h ALA 62 Ca 0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2rld h ALA 62 Cb 1.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2rld h ALA 62 CO 0.10 0.47 -0.11 -0.44 0.00 0.00 0.00 179.25 179.28 2rld h ASP 63 N 1.14 1.02 0.43 0.00 3.32 -1.95 -0.72 116.42 119.67 2rld h ASP 63 Ca 0.32 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2rld h ASP 63 Cb -0.10 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.17 2rld h ASP 63 CO -0.08 1.14 -0.25 0.15 -1.72 0.00 0.00 179.24 178.48 2rld h PHE 64 N 0.89 -0.64 -0.69 4.55 3.57 -0.95 -1.67 116.94 122.01 2rld h PHE 64 Ca 0.14 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2rld h PHE 64 Cb 0.68 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2rld h PHE 64 CO 0.05 -0.38 0.19 0.82 -2.23 0.00 0.00 178.31 176.75 2rld h ILE 65 N -0.64 1.26 -0.42 1.41 1.08 -1.10 -1.99 117.51 117.11 2rld h ILE 65 Ca -0.05 -0.92 0.06 0.00 -0.39 0.00 0.00 64.86 63.56 2rld h ILE 65 Cb 0.51 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 34.76 2rld h ILE 65 CO 0.07 0.35 0.11 -1.13 -0.69 0.00 0.00 178.15 176.86 2rld h ASN 66 N 1.02 0.06 -0.32 1.72 -1.24 -1.03 0.38 115.58 116.17 2rld h ASN 66 Ca 0.22 0.06 -0.16 0.00 0.71 0.00 0.00 56.30 57.13 2rld h ASN 66 Cb 0.33 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2rld h ASN 66 CO -0.00 0.07 -0.41 0.11 -1.29 0.00 0.00 177.43 175.90 2rld h LYS 67 N 0.25 0.88 -0.46 6.67 1.79 -0.97 -0.94 116.57 123.78 2rld h LYS 67 Ca 0.20 -0.48 -0.07 0.00 -2.18 0.00 0.00 60.65 58.13 2rld h LYS 67 Cb 0.24 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2rld h LYS 67 CO -0.25 1.12 0.02 -0.07 -1.08 0.00 0.00 179.45 179.19 2rld h LEU 68 N 0.71 0.71 -0.92 2.94 3.38 -1.16 -0.24 115.31 120.73 2rld h LEU 68 Ca 0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2rld h LEU 68 Cb 1.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2rld h LEU 68 CO 0.10 0.77 0.29 0.78 0.09 0.00 0.00 178.44 180.46 2rld h ASN 69 N 0.70 0.98 -0.33 -0.43 -0.26 -0.53 -0.79 115.58 114.93 2rld h ASN 69 Ca 0.14 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 2rld h ASN 69 Cb 0.41 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 2rld h ASN 69 CO 0.01 0.88 0.12 0.40 -1.06 0.00 0.00 177.43 177.78 2rld h ILE 70 N 1.05 1.20 -0.69 2.81 2.04 -0.83 -0.41 117.51 122.67 2rld h ILE 70 Ca 0.24 -0.63 0.12 0.00 1.00 0.00 0.00 64.86 65.59 2rld h ILE 70 Cb 0.20 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 2rld h ILE 70 CO -0.02 0.22 0.26 0.00 0.00 0.00 0.00 178.15 178.61 2rld h ALA 71 N 0.96 0.93 -0.61 1.87 0.00 -0.74 0.00 119.26 121.67 2rld h ALA 71 Ca 0.11 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2rld h ALA 71 Cb 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2rld h ALA 71 CO -0.01 -0.20 0.14 1.25 0.00 0.00 0.00 179.25 180.44 2rld h LEU 72 N 0.42 0.93 -0.85 0.00 5.85 -0.87 0.38 115.31 121.18 2rld h LEU 72 Ca 0.37 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2rld h LEU 72 Cb 0.51 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2rld h LEU 72 CO -0.37 0.92 0.52 0.50 -0.34 0.00 0.00 178.44 179.68 2rld h LYS 73 N 0.89 0.91 -0.09 1.25 3.64 -0.44 -0.27 116.57 122.47 2rld h LYS 73 Ca 0.19 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.36 2rld h LYS 73 Cb 0.36 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2rld h LYS 73 CO 0.00 0.60 -0.62 0.93 -2.27 0.00 0.00 179.45 178.09 2rld h GLU 74 N 0.94 0.33 -0.47 1.90 4.39 -0.49 0.11 114.58 121.29 2rld h GLU 74 Ca 0.37 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 2rld h GLU 74 Cb 0.19 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2rld h GLU 74 CO -0.18 0.85 0.14 0.00 -1.16 0.00 0.00 179.01 178.66 2rld h ALA 75 N 1.10 0.62 -0.40 3.43 0.00 -0.44 -0.87 119.26 122.69 2rld h ALA 75 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2rld h ALA 75 Cb 1.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2rld h ALA 75 CO 0.10 0.29 -0.14 -0.91 0.00 0.00 0.00 179.25 178.59 2rld h ASN 76 N 0.64 0.73 -0.35 0.00 2.35 -0.81 -1.91 115.58 116.22 2rld h ASN 76 Ca 0.15 -0.23 -0.13 0.00 -0.55 0.00 0.00 56.30 55.54 2rld h ASN 76 Cb 0.29 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2rld h ASN 76 CO -0.00 0.89 -0.26 -0.08 -1.65 0.00 0.00 177.43 176.32 2rld h GLU 77 N 0.67 0.87 -0.57 0.81 4.81 -0.79 -1.85 114.58 118.52 2rld h GLU 77 Ca 0.11 -0.38 0.05 0.00 -0.13 0.00 0.00 59.36 59.01 2rld h GLU 77 Cb 0.62 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 2rld h GLU 77 CO 0.04 1.03 0.30 1.15 -0.73 0.00 0.00 179.01 180.79 2rld h THR 78 N 0.74 0.95 -0.45 0.32 2.02 -0.82 -1.03 112.91 114.65 2rld h THR 78 Ca 0.09 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 2rld h THR 78 Cb 0.81 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2rld h THR 78 CO 0.07 0.10 0.12 -0.33 0.37 0.00 0.00 175.52 175.85 2rld h GLU 79 N 0.57 0.66 -0.02 6.66 5.08 -0.97 0.58 114.58 127.14 2rld h GLU 79 Ca 0.26 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2rld h GLU 79 Cb 0.16 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2rld h GLU 79 CO -0.17 0.59 0.01 -0.92 -1.00 0.00 0.00 179.01 177.52 2rld h TYR 80 N 0.64 0.02 -0.62 4.33 3.20 -0.61 -1.57 116.97 122.37 2rld h TYR 80 Ca 0.15 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2rld h TYR 80 Cb 0.22 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2rld h TYR 80 CO 0.01 0.17 0.17 -1.49 -1.64 0.00 0.00 178.16 175.38 2rld h TRP 81 N -0.13 0.98 -0.79 -3.82 4.06 -0.79 -2.00 115.95 113.45 2rld h TRP 81 Ca 0.01 -0.09 0.10 0.00 2.06 0.00 0.00 58.89 60.96 2rld h TRP 81 Cb 0.16 -0.29 -0.07 0.00 -1.00 0.00 0.00 29.16 27.96 2rld h TRP 81 CO -0.02 0.80 0.44 -0.07 -3.56 0.00 0.00 178.44 176.03 2rld h LEU 82 N 0.92 0.61 -0.72 -4.49 3.38 -0.74 0.10 115.31 114.37 2rld h LEU 82 Ca 0.20 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2rld h LEU 82 Cb 0.29 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2rld h LEU 82 CO -0.00 0.35 0.36 -0.08 0.09 0.00 0.00 178.44 179.16 2rld h GLU 83 N 0.74 1.03 -0.66 1.13 4.81 -0.63 -1.12 114.58 119.88 2rld h GLU 83 Ca 0.39 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2rld h GLU 83 Cb 0.37 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2rld h GLU 83 CO -0.26 0.80 0.18 -0.07 -0.73 0.00 0.00 179.01 178.93 2rld h LEU 84 N 1.01 0.99 -0.87 1.64 3.38 -0.75 -0.93 115.31 119.78 2rld h LEU 84 Ca 0.25 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2rld h LEU 84 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2rld h LEU 84 CO -0.03 0.96 0.12 -0.07 0.09 0.00 0.00 178.44 179.51 2rld h LEU 85 N 0.98 0.91 -0.19 1.67 3.38 -0.41 -1.93 115.31 119.72 2rld h LEU 85 Ca 0.21 -0.19 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 2rld h LEU 85 Cb 0.34 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2rld h LEU 85 CO -0.00 0.90 -0.79 -0.29 0.09 0.00 0.00 178.44 178.34 2rld h ILE 86 N 0.92 1.30 -0.53 1.22 2.10 -1.09 -0.70 117.51 120.73 2rld h ILE 86 Ca 0.19 -2.03 0.05 0.00 1.08 0.00 0.00 64.86 64.15 2rld h ILE 86 Cb 0.36 2.04 -0.03 0.00 -1.09 0.00 0.00 36.82 38.10 2rld h ILE 86 CO 0.00 0.64 0.35 0.03 -1.08 0.00 0.00 178.15 178.09 2rld h ARG 87 N 0.48 0.50 -0.50 2.19 3.08 -1.00 -1.28 114.38 117.86 2rld h ARG 87 Ca -0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2rld h ARG 87 Cb 1.42 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2rld h ARG 87 CO 0.16 0.33 0.00 0.25 -1.07 0.00 0.00 179.97 179.64 2rld n THR 88 N -4.47 0.66 -2.48 2.04 -2.24 -0.74 -4.96 114.28 102.09 2rld n THR 88 Ca 0.07 -0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 2rld n THR 88 Cb 0.21 0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2rld n THR 88 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rld n GLU 89 N 1.20 -2.09 0.13 -0.78 1.02 -0.48 -4.89 120.64 114.75 2rld n GLU 89 Ca 0.19 1.01 0.02 0.00 -0.02 0.00 0.00 57.16 58.37 2rld n GLU 89 Cb 0.51 -5.70 0.02 0.00 -0.02 0.00 0.00 31.44 26.24 2rld n GLU 89 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2rld h TYR 90 N -0.18 0.00 -3.47 -0.32 0.05 -1.38 -3.45 116.97 108.22 2rld h TYR 90 Ca -0.50 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 57.74 2rld h TYR 90 Cb 1.37 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.92 2rld h TYR 90 CO 0.56 0.50 -0.80 0.96 -1.05 0.00 0.00 178.16 178.33 2rld s ILE 91 N -2.96 1.81 0.75 -2.88 -4.36 -1.21 -5.01 121.20 107.34 2rld s ILE 91 Ca 0.04 -1.82 -0.12 0.00 -0.26 0.00 0.00 60.65 58.49 2rld s ILE 91 Cb 0.08 -1.78 0.04 0.00 1.25 0.00 0.00 42.46 42.05 2rld s ILE 91 CO 0.75 -0.24 1.12 0.42 0.24 0.00 0.00 174.94 177.23 2rld s THR 92 N -1.79 3.00 0.24 8.37 -4.23 -1.26 -4.61 115.64 115.36 2rld s THR 92 Ca 0.13 0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 60.92 2rld s THR 92 Cb -0.07 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.70 2rld s THR 92 CO 0.06 -0.43 1.80 -0.09 -0.54 0.00 0.00 174.62 175.43 2rld h ARG 93 N -0.85 0.73 -0.45 3.99 9.65 -1.99 -0.63 114.38 124.84 2rld h ARG 93 Ca -0.46 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.34 2rld h ARG 93 Cb 1.28 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 2rld h ARG 93 CO 0.64 0.48 0.11 0.93 2.80 0.00 0.00 179.97 184.93 2rld h GLU 94 N 0.75 0.71 -0.46 0.20 4.39 -1.99 -0.36 114.58 117.81 2rld h GLU 94 Ca 0.39 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2rld h GLU 94 Cb 0.37 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2rld h GLU 94 CO -0.25 0.71 0.30 1.96 -1.16 0.00 0.00 179.01 180.56 2rld h GLN 95 N 0.59 0.62 0.08 2.33 4.20 -1.88 -1.18 115.11 119.87 2rld h GLN 95 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2rld h GLN 95 Cb 0.31 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2rld h GLN 95 CO 0.00 0.43 -0.05 -0.92 -0.67 0.00 0.00 178.83 177.62 2rld h TYR 96 N 0.63 -0.13 -0.86 2.96 3.20 -0.96 -1.55 116.97 120.24 2rld h TYR 96 Ca 0.17 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2rld h TYR 96 Cb -0.05 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 2rld h TYR 96 CO -0.04 -0.08 0.50 1.49 -1.64 0.00 0.00 178.16 178.39 2rld h GLU 97 N -0.13 1.18 -0.05 1.82 4.81 -0.95 0.10 114.58 121.36 2rld h GLU 97 Ca -0.00 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2rld h GLU 97 Cb 0.11 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2rld h GLU 97 CO 0.00 0.84 0.02 1.03 -0.73 0.00 0.00 179.01 180.17 2rld h SER 98 N 1.19 0.08 -0.32 1.04 0.87 -1.00 0.80 113.55 116.20 2rld h SER 98 Ca 0.31 -0.20 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 2rld h SER 98 Cb -0.02 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2rld h SER 98 CO -0.05 0.26 -0.37 0.40 -0.53 0.00 0.00 176.83 176.53 2rld h ILE 99 N -0.11 1.29 -0.87 2.23 2.04 -1.16 -2.83 117.51 118.09 2rld h ILE 99 Ca 0.02 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.30 2rld h ILE 99 Cb 0.21 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2rld h ILE 99 CO -0.00 0.51 0.44 -1.13 0.00 0.00 0.00 178.15 177.97 2rld h ASN 100 N 0.60 1.12 -0.74 1.72 -1.24 -0.77 -1.66 115.58 114.61 2rld h ASN 100 Ca 0.04 -0.12 0.08 0.00 0.71 0.00 0.00 56.30 57.01 2rld h ASN 100 Cb 0.96 -0.29 -0.06 0.00 0.73 0.00 0.00 38.32 39.66 2rld h ASN 100 CO 0.09 0.92 0.41 0.78 -1.29 0.00 0.00 177.43 178.34 2rld h ASN 101 N 1.23 0.58 -0.32 1.15 2.35 -0.72 0.16 115.58 120.02 2rld h ASN 101 Ca 0.30 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.96 2rld h ASN 101 Cb 0.08 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2rld h ASN 101 CO -0.04 0.35 -0.31 0.44 -1.65 0.00 0.00 177.43 176.22 2rld h ASP 102 N 0.72 0.89 -0.26 5.81 3.32 -1.16 -1.62 116.42 124.12 2rld h ASP 102 Ca 0.35 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2rld h ASP 102 Cb 0.28 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2rld h ASP 102 CO -0.22 1.12 0.05 -1.28 -1.72 0.00 0.00 179.24 177.19 2rld h SER 103 N 0.71 0.40 0.80 6.45 0.87 -0.70 -2.62 113.55 119.47 2rld h SER 103 Ca 0.08 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2rld h SER 103 Cb 0.87 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2rld h SER 103 CO 0.08 0.55 -0.30 0.71 -0.53 0.00 0.00 176.83 177.34 2rld h THR 104 N 0.24 0.77 -0.49 2.23 1.35 -0.61 -0.20 112.91 116.19 2rld h THR 104 Ca 0.08 -1.28 -0.03 0.00 -0.55 0.00 0.00 66.41 64.62 2rld h THR 104 Cb 0.32 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 2rld h THR 104 CO 0.00 0.30 0.18 -0.08 -0.25 0.00 0.00 175.52 175.67 2rld h GLU 105 N 0.00 0.75 -0.42 4.72 4.81 -1.14 -1.67 114.58 121.63 2rld h GLU 105 Ca -0.00 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2rld h GLU 105 Cb 0.78 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2rld h GLU 105 CO 0.04 0.68 0.13 0.82 -0.73 0.00 0.00 179.01 179.95 2rld h ILE 106 N 0.66 1.22 -0.56 2.32 2.04 -0.96 -2.52 117.51 119.71 2rld h ILE 106 Ca 0.16 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 65.41 2rld h ILE 106 Cb 0.22 0.90 -0.11 0.00 -0.74 0.00 0.00 36.82 37.09 2rld h ILE 106 CO -0.01 0.26 -0.17 0.78 0.00 0.00 0.00 178.15 179.01 2rld h ASN 107 N 0.54 -0.61 -0.60 1.72 4.21 -0.74 -0.10 115.58 120.00 2rld h ASN 107 Ca 0.14 0.18 -0.08 0.00 1.21 0.00 0.00 56.30 57.75 2rld h ASN 107 Cb 0.26 0.38 -0.03 0.00 -1.12 0.00 0.00 38.32 37.82 2rld h ASN 107 CO -0.00 -0.21 0.09 0.11 -1.29 0.00 0.00 177.43 176.12 2rld h LYS 108 N -0.03 1.03 -0.34 0.81 1.57 -1.19 -0.96 116.57 117.46 2rld h LYS 108 Ca 0.27 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2rld h LYS 108 Cb 0.44 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2rld h LYS 108 CO -0.59 0.96 0.04 -0.07 -0.57 0.00 0.00 179.45 179.21 2rld h LEU 109 N 0.96 0.56 -0.22 2.94 3.38 -0.96 -1.19 115.31 120.78 2rld h LEU 109 Ca 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2rld h LEU 109 Cb 0.44 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2rld h LEU 109 CO 0.01 0.69 0.14 -0.07 0.09 0.00 0.00 178.44 179.30 2rld h LEU 110 N 0.40 0.26 -0.43 1.67 3.38 -0.76 -0.76 115.31 119.08 2rld h LEU 110 Ca 0.10 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2rld h LEU 110 Cb 0.38 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2rld h LEU 110 CO 0.01 0.21 0.28 0.40 0.09 0.00 0.00 178.44 179.43 2rld h ILE 111 N 0.28 1.10 -0.62 1.22 2.04 -1.09 0.31 117.51 120.75 2rld h ILE 111 Ca 0.08 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2rld h ILE 111 Cb -0.00 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2rld h ILE 111 CO -0.02 0.10 0.32 0.28 0.00 0.00 0.00 178.15 178.84 2rld h SER 112 N 0.57 0.46 -0.22 1.72 0.02 -0.87 0.12 113.55 115.35 2rld h SER 112 Ca 0.16 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2rld h SER 112 Cb -0.06 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2rld h SER 112 CO -0.04 0.29 -0.12 0.40 -1.14 0.00 0.00 176.83 176.22 2rld h ILE 113 N 0.60 1.31 -0.91 3.27 2.04 -0.54 -2.75 117.51 120.52 2rld h ILE 113 Ca 0.29 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2rld h ILE 113 Cb 0.21 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2rld h ILE 113 CO -0.20 0.37 0.57 0.40 0.00 0.00 0.00 178.15 179.30 2rld h ILE 114 N 0.18 1.24 -0.01 -0.67 2.04 -0.58 -2.12 117.51 117.59 2rld h ILE 114 Ca 0.05 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2rld h ILE 114 Cb 0.63 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2rld h ILE 114 CO 0.04 0.24 0.00 0.29 0.00 0.00 0.00 178.15 178.72 2rld n LYS 115 N -4.38 1.10 0.00 2.37 5.02 0.40 -5.09 118.16 117.58 2rld n LYS 115 Ca 0.10 -0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.33 2rld n LYS 115 Cb 0.04 -1.42 0.52 0.00 -0.02 0.00 0.00 35.03 34.15 2rld n LYS 115 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29