#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab5 s LEU 6 N 0.00 4.06 -0.19 4.31 0.05 -1.26 -4.80 118.68 120.85 1ab5 s LEU 6 Ca 0.00 1.73 -0.29 0.00 0.05 0.00 0.00 54.13 55.62 1ab5 s LEU 6 Cb 0.00 -4.37 -0.00 0.00 -2.05 0.00 0.00 46.19 39.76 1ab5 s LEU 6 CO 0.00 -0.27 1.14 -0.75 -0.55 0.00 0.00 176.35 175.92 1ab5 s LYS 7 N -2.83 4.25 0.24 1.48 2.20 -1.26 -4.58 119.74 119.25 1ab5 s LYS 7 Ca 0.58 1.50 0.03 0.00 -0.36 0.00 0.00 55.97 57.73 1ab5 s LYS 7 Cb -0.12 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 1ab5 s LYS 7 CO 0.16 -0.65 0.38 -0.06 -0.36 0.00 0.00 175.35 174.83 1ab5 s PHE 8 N 3.28 3.47 -0.17 4.03 0.40 -0.65 -1.57 117.98 126.77 1ab5 s PHE 8 Ca 0.49 0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.91 1ab5 s PHE 8 Cb -0.18 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.73 1ab5 s PHE 8 CO 0.11 0.39 0.01 -1.17 0.70 0.00 0.00 175.22 175.25 1ab5 s LEU 9 N -3.85 1.26 -0.26 -0.37 2.96 -0.56 -1.46 118.68 116.39 1ab5 s LEU 9 Ca 0.36 -0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 1ab5 s LEU 9 Cb -0.10 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1ab5 s LEU 9 CO 0.30 -0.26 0.42 -0.69 -1.32 0.00 0.00 176.35 174.80 1ab5 s VAL 10 N 1.80 5.15 -0.26 1.68 1.01 0.52 -1.16 120.40 129.14 1ab5 s VAL 10 Ca -0.00 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 1ab5 s VAL 10 Cb -0.16 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1ab5 s VAL 10 CO -0.07 0.15 -0.01 -0.69 0.00 0.00 0.00 175.10 174.48 1ab5 s VAL 11 N 2.01 3.31 -0.28 2.92 1.01 0.60 -1.21 120.40 128.77 1ab5 s VAL 11 Ca 0.17 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1ab5 s VAL 11 Cb -0.16 -2.66 0.11 0.00 0.00 0.00 0.00 36.38 33.67 1ab5 s VAL 11 CO 0.09 0.20 0.93 -0.62 0.00 0.00 0.00 175.10 175.70 1ab5 s ASP 12 N 1.41 -0.56 0.28 3.32 -1.08 -0.72 -1.10 116.67 118.22 1ab5 s ASP 12 Ca 0.02 1.04 0.14 0.00 -0.52 0.00 0.00 52.55 53.23 1ab5 s ASP 12 Cb -0.16 1.08 0.33 0.00 -1.46 0.00 0.00 42.92 42.71 1ab5 s ASP 12 CO -0.02 -0.18 1.57 -2.24 0.52 0.00 0.00 175.17 174.82 1ab5 h ASP 13 N 4.71 0.00 -3.59 -0.34 2.03 -1.74 -3.37 116.42 114.12 1ab5 h ASP 13 Ca -0.28 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.45 1ab5 h ASP 13 Cb 1.18 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.61 1ab5 h ASP 13 CO 0.10 0.58 0.97 0.21 -1.03 0.00 0.00 179.24 180.07 1ab5 s ASN 14 N -6.61 6.54 0.24 4.15 3.84 -1.26 -4.93 114.94 116.91 1ab5 s ASN 14 Ca 0.00 0.54 -0.05 0.00 0.21 0.00 0.00 52.86 53.57 1ab5 s ASN 14 Cb 0.11 -2.55 0.37 0.00 -0.55 0.00 0.00 41.25 38.63 1ab5 s ASN 14 CO 0.74 -1.32 1.82 -1.28 -2.79 0.00 0.00 177.10 174.28 1ab5 h SER 15 N 9.64 0.71 -0.42 -4.21 0.87 -2.00 -1.82 113.55 116.32 1ab5 h SER 15 Ca -0.24 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.29 1ab5 h SER 15 Cb 1.07 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1ab5 h SER 15 CO 1.12 0.42 0.02 0.74 -0.53 0.00 0.00 176.83 178.61 1ab5 h THR 16 N 0.83 1.26 -0.50 2.23 2.02 -1.98 -2.24 112.91 114.53 1ab5 h THR 16 Ca 0.38 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 1ab5 h THR 16 Cb 0.30 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1ab5 h THR 16 CO -0.22 0.34 0.07 -0.03 0.37 0.00 0.00 175.52 176.04 1ab5 h MET 17 N 0.56 0.83 -0.65 6.66 -1.53 -1.91 -0.08 114.93 118.82 1ab5 h MET 17 Ca 0.12 -0.23 -0.00 0.00 -3.44 0.00 0.00 59.70 56.15 1ab5 h MET 17 Cb 0.45 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.38 1ab5 h MET 17 CO 0.02 0.84 0.40 0.00 0.14 0.00 0.00 176.91 178.30 1ab5 h ARG 18 N 0.71 0.87 -0.64 0.39 3.08 -1.27 0.14 114.38 117.66 1ab5 h ARG 18 Ca 0.15 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1ab5 h ARG 18 Cb 0.41 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1ab5 h ARG 18 CO 0.01 0.61 0.06 -0.09 -1.07 0.00 0.00 179.97 179.49 1ab5 h ARG 19 N 0.89 1.09 -0.19 0.04 2.43 -0.75 0.60 114.38 118.48 1ab5 h ARG 19 Ca 0.23 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1ab5 h ARG 19 Cb -0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1ab5 h ARG 19 CO -0.05 1.02 0.06 0.82 -1.51 0.00 0.00 179.97 180.31 1ab5 h ILE 20 N 1.00 1.19 0.02 1.20 2.04 0.23 -1.85 117.51 121.34 1ab5 h ILE 20 Ca 0.19 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1ab5 h ILE 20 Cb 0.49 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1ab5 h ILE 20 CO 0.02 0.19 -0.01 0.74 0.00 0.00 0.00 178.15 179.09 1ab5 h THR 21 N 0.13 1.09 -0.91 -0.27 2.02 -0.87 -1.63 112.91 112.46 1ab5 h THR 21 Ca 0.06 -0.33 0.21 0.00 0.77 0.00 0.00 66.41 67.12 1ab5 h THR 21 Cb 0.23 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 1ab5 h THR 21 CO -0.00 0.08 0.61 -0.09 0.37 0.00 0.00 175.52 176.49 1ab5 h ARG 22 N -0.17 0.36 0.09 6.66 2.43 -0.83 -1.28 114.38 121.63 1ab5 h ARG 22 Ca -0.00 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.86 1ab5 h ARG 22 Cb 0.16 -0.08 0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1ab5 h ARG 22 CO 0.00 0.24 -1.15 -0.97 -1.51 0.00 0.00 179.97 176.58 1ab5 h ASN 23 N 0.37 0.86 -0.59 -3.80 -0.73 -0.89 -2.80 115.58 107.99 1ab5 h ASN 23 Ca 0.47 -0.81 -0.02 0.00 1.87 0.00 0.00 56.30 57.81 1ab5 h ASN 23 Cb 1.24 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 39.53 1ab5 h ASN 23 CO -0.17 1.57 0.29 -0.07 -0.37 0.00 0.00 177.43 178.68 1ab5 h LEU 24 N 0.26 0.79 -0.66 0.34 4.07 -0.36 0.13 115.31 119.87 1ab5 h LEU 24 Ca -0.17 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.61 1ab5 h LEU 24 Cb 1.83 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 43.34 1ab5 h LEU 24 CO 0.22 0.68 -0.00 -0.07 -1.08 0.00 0.00 178.44 178.19 1ab5 h LEU 25 N 0.87 1.02 -0.39 1.67 3.38 -1.31 -1.88 115.31 118.67 1ab5 h LEU 25 Ca 0.21 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1ab5 h LEU 25 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ab5 h LEU 25 CO -0.03 1.07 -0.05 0.50 0.09 0.00 0.00 178.44 180.02 1ab5 h LYS 26 N 0.95 0.72 -0.18 1.13 3.64 -1.08 0.88 116.57 122.63 1ab5 h LYS 26 Ca 0.17 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1ab5 h LYS 26 Cb 0.55 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1ab5 h LYS 26 CO 0.03 0.85 0.13 0.93 -2.27 0.00 0.00 179.45 179.12 1ab5 h GLU 27 N 0.54 0.00 0.00 1.90 4.39 -0.55 0.17 114.58 121.02 1ab5 h GLU 27 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ab5 h GLU 27 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1ab5 h GLU 27 CO 0.03 0.00 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.38 1ab5 h LEU 28 N 0.00 0.00 0.00 1.33 3.38 -0.50 -3.48 115.31 116.04 1ab5 h LEU 28 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ab5 h LEU 28 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ab5 h LEU 28 CO -0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1ab5 n GLY 29 N 1.29 0.85 3.47 0.83 0.00 0.60 -5.05 105.19 107.17 1ab5 n GLY 29 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1ab5 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ab5 s PHE 30 N -2.00 2.66 -0.25 1.61 0.08 0.10 -4.60 117.98 115.59 1ab5 s PHE 30 Ca 0.00 -0.60 0.20 0.00 0.12 0.00 0.00 56.93 56.65 1ab5 s PHE 30 Cb 0.00 -4.36 0.05 0.00 -0.57 0.00 0.00 43.02 38.14 1ab5 s PHE 30 CO 0.00 -1.71 1.18 -0.91 -0.10 0.00 0.00 175.22 173.68 1ab5 h ASN 31 N 9.55 0.00 -1.86 1.36 -0.26 -1.90 -3.29 115.58 119.18 1ab5 h ASN 31 Ca -0.20 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 54.93 1ab5 h ASN 31 Cb 1.06 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.20 1ab5 h ASN 31 CO 1.20 0.19 1.14 0.21 -1.06 0.00 0.00 177.43 179.11 1ab5 s ASN 32 N -5.79 6.40 0.02 5.81 2.47 -1.26 -4.96 114.94 117.63 1ab5 s ASN 32 Ca 0.01 -1.27 0.00 0.00 0.42 0.00 0.00 52.86 52.03 1ab5 s ASN 32 Cb 0.08 -2.52 -0.02 0.00 -1.45 0.00 0.00 41.25 37.35 1ab5 s ASN 32 CO 0.76 -1.49 -0.04 -0.69 -3.72 0.00 0.00 177.10 171.92 1ab5 s VAL 33 N 4.60 0.18 0.15 -5.21 1.01 -1.26 -1.64 120.40 118.24 1ab5 s VAL 33 Ca 0.38 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1ab5 s VAL 33 Cb -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1ab5 s VAL 33 CO -0.01 -0.38 0.03 -1.61 0.00 0.00 0.00 175.10 173.13 1ab5 s GLU 34 N -1.22 1.03 0.11 2.72 0.41 -0.54 -4.92 118.70 116.29 1ab5 s GLU 34 Ca -0.12 -1.49 0.04 0.00 -0.41 0.00 0.00 54.97 52.99 1ab5 s GLU 34 Cb -0.08 -0.01 -0.04 0.00 -1.78 0.00 0.00 34.13 32.22 1ab5 s GLU 34 CO -0.01 -0.20 -0.10 -1.21 -0.49 0.00 0.00 175.26 173.25 1ab5 s GLU 35 N -3.99 0.92 0.05 1.61 2.02 -1.26 -0.36 118.70 117.69 1ab5 s GLU 35 Ca 0.24 -1.25 -0.05 0.00 0.02 0.00 0.00 54.97 53.93 1ab5 s GLU 35 Cb 0.07 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.71 1ab5 s GLU 35 CO 0.03 0.08 0.08 0.00 0.02 0.00 0.00 175.26 175.48 1ab5 s ALA 36 N -2.70 0.01 -0.11 5.21 0.00 -0.35 -4.91 121.76 118.91 1ab5 s ALA 36 Ca 0.09 -0.67 0.22 0.00 0.00 0.00 0.00 51.96 51.60 1ab5 s ALA 36 Cb -0.01 0.28 -0.21 0.00 0.00 0.00 0.00 23.12 23.17 1ab5 s ALA 36 CO 0.00 -0.34 0.68 0.39 0.00 0.00 0.00 175.76 176.49 1ab5 n GLU 37 N 0.59 0.64 -3.51 0.00 1.02 -1.26 -1.76 120.64 116.36 1ab5 n GLU 37 Ca -0.18 -0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 56.81 1ab5 n GLU 37 Cb 0.59 -1.64 0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1ab5 n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ab5 n ASP 38 N -2.44 -1.97 -0.26 1.62 5.68 -1.26 -2.59 116.55 115.33 1ab5 n ASP 38 Ca -0.03 -2.46 -0.05 0.00 -0.50 0.00 0.00 54.79 51.75 1ab5 n ASP 38 Cb 0.58 3.30 0.06 0.00 -1.14 0.00 0.00 41.12 43.93 1ab5 n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ab5 h GLY 39 N 1.77 1.02 1.02 6.12 0.00 -0.83 -0.71 103.07 111.45 1ab5 h GLY 39 Ca -0.29 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 1ab5 h GLY 39 CO 0.38 0.37 0.23 -2.08 0.00 0.00 0.00 176.54 175.44 1ab5 h VAL 40 N 0.98 1.24 -0.25 4.60 2.07 -1.89 0.13 116.25 123.13 1ab5 h VAL 40 Ca 0.27 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1ab5 h VAL 40 Cb -0.11 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1ab5 h VAL 40 CO -0.06 0.31 0.05 -0.78 0.02 0.00 0.00 177.57 177.11 1ab5 h ASP 41 N 0.94 0.39 -0.08 0.57 3.58 -1.89 0.18 116.42 120.10 1ab5 h ASP 41 Ca 0.21 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1ab5 h ASP 41 Cb 0.25 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1ab5 h ASP 41 CO -0.01 0.54 0.04 0.00 -2.88 0.00 0.00 179.24 176.93 1ab5 h ALA 42 N 0.86 0.10 -0.89 -0.78 0.00 -0.96 -1.82 119.26 115.78 1ab5 h ALA 42 Ca 0.08 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ab5 h ALA 42 Cb 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1ab5 h ALA 42 CO 0.00 -0.34 0.55 -0.07 0.00 0.00 0.00 179.25 179.40 1ab5 h LEU 43 N 0.01 0.87 -1.57 0.00 3.38 -0.64 0.32 115.31 117.67 1ab5 h LEU 43 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ab5 h LEU 43 Cb 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ab5 h LEU 43 CO -0.00 0.56 0.00 -1.13 0.09 0.00 0.00 178.44 177.95 1ab5 h ASN 44 N 1.01 0.00 0.05 -0.43 -1.24 -0.46 -1.61 115.58 112.90 1ab5 h ASN 44 Ca 0.39 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 57.02 1ab5 h ASN 44 Cb 0.17 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.18 1ab5 h ASN 44 CO -0.17 0.00 -2.28 0.29 -1.29 0.00 0.00 177.43 173.98 1ab5 n LYS 45 N -2.66 0.69 0.30 6.67 5.02 0.26 -4.16 118.16 124.28 1ab5 n LYS 45 Ca -0.00 0.20 0.16 0.00 -2.02 0.00 0.00 58.31 56.65 1ab5 n LYS 45 Cb 0.17 -1.60 0.91 0.00 -0.02 0.00 0.00 35.03 34.50 1ab5 n LYS 45 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ab5 h LEU 46 N 0.00 0.00 -1.48 -0.35 3.38 -0.16 -0.96 115.31 115.74 1ab5 h LEU 46 Ca -0.52 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 1ab5 h LEU 46 Cb 1.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1ab5 h LEU 46 CO -0.03 0.03 -0.25 1.56 0.09 0.00 0.00 178.44 179.85 1ab5 h GLN 47 N 0.00 0.00 0.00 1.13 1.08 -1.46 -2.39 115.11 113.47 1ab5 h GLN 47 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ab5 h GLN 47 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1ab5 h GLN 47 CO 0.00 0.25 -0.08 0.00 -0.95 0.00 0.00 178.83 178.05 1ab5 n ALA 48 N -2.35 2.52 -0.33 3.87 0.00 -0.37 -5.04 120.51 118.82 1ab5 n ALA 48 Ca -0.01 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1ab5 n ALA 48 Cb 0.35 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1ab5 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ab5 n GLY 49 N 1.49 -1.87 0.00 0.00 0.00 -0.90 -5.01 105.19 98.90 1ab5 n GLY 49 Ca 0.07 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1ab5 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ab5 n GLY 50 N -2.52 3.06 3.77 -0.02 0.00 -1.26 -4.93 105.19 103.29 1ab5 n GLY 50 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ab5 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ab5 s TYR 51 N -2.69 3.77 -0.10 1.61 2.02 -1.26 -4.50 117.35 116.19 1ab5 s TYR 51 Ca 0.00 1.79 0.04 0.00 -0.37 0.00 0.00 57.07 58.53 1ab5 s TYR 51 Cb 0.00 -2.92 -0.05 0.00 -0.40 0.00 0.00 41.96 38.59 1ab5 s TYR 51 CO 0.00 0.28 0.13 0.41 -1.57 0.00 0.00 175.55 174.80 1ab5 n GLY 52 N 0.81 0.28 3.33 0.71 0.00 -0.61 -4.97 105.19 104.74 1ab5 n GLY 52 Ca 0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1ab5 n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ab5 s PHE 53 N -1.77 -0.42 -0.07 1.61 2.19 -1.10 -4.14 117.98 114.29 1ab5 s PHE 53 Ca 0.00 0.93 0.02 0.00 0.33 0.00 0.00 56.93 58.21 1ab5 s PHE 53 Cb 0.03 0.17 0.01 0.00 -1.31 0.00 0.00 43.02 41.92 1ab5 s PHE 53 CO 0.16 -0.32 -0.12 0.08 1.83 0.00 0.00 175.22 176.85 1ab5 s VAL 54 N -0.34 1.13 -0.21 3.12 1.01 -0.38 -1.50 120.40 123.23 1ab5 s VAL 54 Ca -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ab5 s VAL 54 Cb -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1ab5 s VAL 54 CO 0.03 0.35 -0.12 -0.63 0.00 0.00 0.00 175.10 174.73 1ab5 s ILE 55 N 0.70 2.64 0.08 2.22 1.01 -0.31 -0.76 121.20 126.79 1ab5 s ILE 55 Ca -0.14 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.72 1ab5 s ILE 55 Cb -0.16 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 1ab5 s ILE 55 CO 0.03 0.40 -0.18 -0.55 0.00 0.00 0.00 174.94 174.64 1ab5 s SER 56 N 1.35 2.21 0.38 3.58 0.15 0.06 -0.29 113.70 121.13 1ab5 s SER 56 Ca 0.03 -0.62 -0.11 0.00 0.70 0.00 0.00 55.95 55.95 1ab5 s SER 56 Cb -0.15 -0.12 -0.07 0.00 -1.71 0.00 0.00 66.02 63.98 1ab5 s SER 56 CO -0.08 0.03 0.75 -0.62 1.20 0.00 0.00 173.24 174.53 1ab5 s ASP 57 N -1.69 6.58 0.02 5.45 2.15 -0.26 -0.51 116.67 128.41 1ab5 s ASP 57 Ca 0.04 1.16 -0.26 0.00 0.43 0.00 0.00 52.55 53.92 1ab5 s ASP 57 Cb -0.10 -2.33 -0.17 0.00 -0.30 0.00 0.00 42.92 40.03 1ab5 s ASP 57 CO 0.03 -0.34 1.31 -0.25 -0.17 0.00 0.00 175.17 175.75 1ab5 h TRP 58 N 1.54 -0.37 -3.70 -5.34 2.91 -1.50 -3.10 115.95 106.38 1ab5 h TRP 58 Ca -0.47 -0.01 -0.64 0.00 1.13 0.00 0.00 58.89 58.89 1ab5 h TRP 58 Cb 1.18 0.12 -0.20 0.00 -0.51 0.00 0.00 29.16 29.76 1ab5 h TRP 58 CO 0.61 -0.06 -0.58 -0.80 -1.03 0.00 0.00 178.44 176.57 1ab5 s ASN 59 N -5.06 5.48 0.03 2.65 -0.87 -1.26 -0.70 114.94 115.21 1ab5 s ASN 59 Ca -0.14 -0.11 -0.13 0.00 -1.57 0.00 0.00 52.86 50.90 1ab5 s ASN 59 Cb 0.03 -1.99 0.02 0.00 -0.02 0.00 0.00 41.25 39.28 1ab5 s ASN 59 CO 0.57 -0.02 0.28 -0.04 -2.57 0.00 0.00 177.10 175.31 1ab5 s MET 60 N 1.55 0.76 0.56 -0.60 -1.94 -1.26 -4.81 119.30 113.56 1ab5 s MET 60 Ca 0.06 -0.48 -0.14 0.00 -1.71 0.00 0.00 55.69 53.42 1ab5 s MET 60 Cb -0.15 0.33 -0.06 0.00 2.01 0.00 0.00 34.83 36.95 1ab5 s MET 60 CO 0.06 -0.23 1.00 -1.25 -0.01 0.00 0.00 175.02 174.58 1ab5 s PRO 61 N -2.36 3.79 0.00 2.03 0.04 -1.26 -3.55 135.00 133.69 1ab5 s PRO 61 Ca -0.06 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1ab5 s PRO 61 Cb -0.02 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1ab5 s PRO 61 CO -0.02 -0.39 0.00 0.09 0.04 0.00 0.00 177.00 176.71 1ab5 n ASN 62 N -2.08 0.00 -3.60 6.66 3.02 -1.26 -4.45 115.26 113.55 1ab5 n ASN 62 Ca 0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.36 1ab5 n ASN 62 Cb 0.54 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.54 1ab5 n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1ab5 s MET 63 N 0.00 0.07 0.52 3.52 1.75 -1.26 -4.93 119.30 118.96 1ab5 s MET 63 Ca 0.00 -0.08 -0.09 0.00 -1.25 0.00 0.00 55.69 54.27 1ab5 s MET 63 Cb 0.00 -1.76 0.13 0.00 2.84 0.00 0.00 34.83 36.03 1ab5 s MET 63 CO 0.00 -0.68 0.42 -0.40 -0.65 0.00 0.00 175.02 173.70 1ab5 n ASP 64 N 5.28 -1.77 0.08 1.11 5.68 -1.23 -0.25 116.55 125.45 1ab5 n ASP 64 Ca -0.07 -0.67 -0.03 0.00 -0.50 0.00 0.00 54.79 53.52 1ab5 n ASP 64 Cb 0.49 -0.40 0.19 0.00 -1.14 0.00 0.00 41.12 40.26 1ab5 n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ab5 h GLY 65 N -1.54 0.30 0.56 6.12 0.00 -0.84 -2.88 103.07 104.79 1ab5 h GLY 65 Ca -0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1ab5 h GLY 65 CO 0.10 0.27 -0.06 -2.00 0.00 0.00 0.00 176.54 174.86 1ab5 h LEU 66 N 0.23 0.13 -1.82 3.11 5.85 -1.85 -2.35 115.31 118.62 1ab5 h LEU 66 Ca 0.02 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 1ab5 h LEU 66 Cb 0.87 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1ab5 h LEU 66 CO 0.07 0.63 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.32 1ab5 h GLU 67 N -0.36 0.00 0.02 1.25 4.39 -1.93 -0.89 114.58 117.06 1ab5 h GLU 67 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ab5 h GLU 67 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1ab5 h GLU 67 CO 0.01 0.15 -0.01 1.25 -1.16 0.00 0.00 179.01 179.25 1ab5 h LEU 68 N 0.00 -0.03 -0.66 1.33 5.85 -1.48 -2.17 115.31 118.15 1ab5 h LEU 68 Ca -0.00 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.18 1ab5 h LEU 68 Cb 0.34 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1ab5 h LEU 68 CO 0.02 0.58 0.39 0.25 -0.34 0.00 0.00 178.44 179.34 1ab5 h LEU 69 N -0.66 0.61 -1.06 2.25 5.85 -1.03 0.19 115.31 121.46 1ab5 h LEU 69 Ca -0.00 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1ab5 h LEU 69 Cb 0.61 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ab5 h LEU 69 CO 0.01 0.42 -0.27 0.11 -0.34 0.00 0.00 178.44 178.36 1ab5 h LYS 70 N 0.75 0.34 0.00 1.25 1.57 -1.24 -0.46 116.57 118.77 1ab5 h LYS 70 Ca 0.28 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.76 1ab5 h LYS 70 Cb 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1ab5 h LYS 70 CO -0.14 0.59 -0.85 1.15 -0.57 0.00 0.00 179.45 179.63 1ab5 h THR 71 N 0.30 1.60 0.05 -0.16 2.02 -0.80 -2.69 112.91 113.23 1ab5 h THR 71 Ca 0.04 -2.92 -0.00 0.00 0.77 0.00 0.00 66.41 64.30 1ab5 h THR 71 Cb 0.64 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1ab5 h THR 71 CO 0.05 0.83 -0.03 0.40 0.37 0.00 0.00 175.52 177.14 1ab5 h ILE 72 N 0.00 1.28 -0.21 3.11 2.04 -0.79 -2.88 117.51 120.07 1ab5 h ILE 72 Ca -0.01 -1.49 0.06 0.00 1.00 0.00 0.00 64.86 64.43 1ab5 h ILE 72 Cb 1.51 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 1ab5 h ILE 72 CO 0.11 0.35 0.24 0.03 0.00 0.00 0.00 178.15 178.88 1ab5 h ARG 73 N -0.78 0.00 0.00 2.37 2.47 -1.14 -1.98 114.38 115.33 1ab5 h ARG 73 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1ab5 h ARG 73 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1ab5 h ARG 73 CO 0.01 0.00 -1.30 0.00 0.56 0.00 0.00 179.97 179.24 1ab5 n ALA 74 N -2.31 3.03 -1.90 0.04 0.00 -1.01 -4.53 120.51 113.83 1ab5 n ALA 74 Ca 0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1ab5 n ALA 74 Cb 0.36 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1ab5 n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ab5 s ASP 75 N -4.46 6.61 0.00 0.00 -1.08 -0.76 -4.84 116.67 112.13 1ab5 s ASP 75 Ca -0.01 2.66 0.08 0.00 -0.52 0.00 0.00 52.55 54.76 1ab5 s ASP 75 Cb 0.13 -2.61 0.47 0.00 -1.46 0.00 0.00 42.92 39.45 1ab5 s ASP 75 CO 0.83 -0.77 1.03 0.61 0.52 0.00 0.00 175.17 177.39 1ab5 n GLY 76 N 2.92 -0.38 0.28 2.66 0.00 -1.26 -1.96 105.19 107.44 1ab5 n GLY 76 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ab5 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab5 n ALA 77 N -1.11 2.25 0.83 4.61 0.00 -1.26 -4.76 120.51 121.06 1ab5 n ALA 77 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1ab5 n ALA 77 Cb 0.04 0.43 0.51 0.00 0.00 0.00 0.00 19.45 20.43 1ab5 n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ab5 n MET 78 N -2.49 0.12 -0.25 0.00 2.81 -1.21 -4.45 117.12 111.65 1ab5 n MET 78 Ca 0.00 0.09 0.03 0.00 -1.81 0.00 0.00 57.70 56.01 1ab5 n MET 78 Cb 0.43 -1.63 0.07 0.00 -0.71 0.00 0.00 33.22 31.38 1ab5 n MET 78 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ab5 n SER 79 N -1.84 -0.30 0.00 7.83 7.64 -0.83 -1.40 113.62 124.73 1ab5 n SER 79 Ca 0.06 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.23 1ab5 n SER 79 Cb 0.38 -0.32 0.72 0.00 -1.01 0.00 0.00 64.21 63.97 1ab5 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ab5 n ALA 80 N -3.72 2.39 -1.75 -0.43 0.00 -1.26 -4.46 120.51 111.27 1ab5 n ALA 80 Ca 0.10 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1ab5 n ALA 80 Cb 0.32 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 1ab5 n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ab5 s LEU 81 N -2.28 4.35 0.17 0.00 1.43 -0.49 -4.94 118.68 116.91 1ab5 s LEU 81 Ca 0.32 2.95 -0.30 0.00 -1.03 0.00 0.00 54.13 56.07 1ab5 s LEU 81 Cb 0.18 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.69 1ab5 s LEU 81 CO 0.35 -0.94 1.26 -2.84 0.23 0.00 0.00 176.35 174.40 1ab5 s PRO 82 N -0.17 4.43 -0.23 1.29 0.02 -1.26 -4.93 135.00 134.14 1ab5 s PRO 82 Ca 0.66 1.95 -0.00 0.00 0.02 0.00 0.00 61.00 63.62 1ab5 s PRO 82 Cb -0.49 -3.24 0.06 0.00 0.02 0.00 0.00 34.50 30.86 1ab5 s PRO 82 CO 0.45 -0.20 -0.02 0.08 -0.33 0.00 0.00 177.00 176.98 1ab5 s VAL 83 N 0.24 1.29 -0.24 3.83 1.01 -1.26 -1.25 120.40 124.03 1ab5 s VAL 83 Ca 0.56 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1ab5 s VAL 83 Cb -0.34 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1ab5 s VAL 83 CO 0.36 -0.16 0.50 -0.22 0.00 0.00 0.00 175.10 175.58 1ab5 s LEU 84 N 1.50 4.09 0.03 3.92 2.96 0.07 -0.92 118.68 130.32 1ab5 s LEU 84 Ca -0.04 0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 54.28 1ab5 s LEU 84 Cb -0.18 -2.66 -0.06 0.00 0.50 0.00 0.00 46.19 43.79 1ab5 s LEU 84 CO -0.07 -0.23 0.44 -0.04 -1.32 0.00 0.00 176.35 175.12 1ab5 s MET 85 N 2.02 3.94 -0.21 1.98 -1.94 0.47 -0.76 119.30 124.80 1ab5 s MET 85 Ca 0.22 0.43 -0.01 0.00 -1.71 0.00 0.00 55.69 54.62 1ab5 s MET 85 Cb -0.15 -3.17 0.01 0.00 2.01 0.00 0.00 34.83 33.52 1ab5 s MET 85 CO 0.09 0.65 -0.12 0.08 -0.01 0.00 0.00 175.02 175.71 1ab5 s VAL 86 N -1.15 2.63 0.10 -6.03 1.01 0.33 -0.72 120.40 116.57 1ab5 s VAL 86 Ca 0.27 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1ab5 s VAL 86 Cb -0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1ab5 s VAL 86 CO 0.15 0.43 -0.06 -0.89 0.00 0.00 0.00 175.10 174.73 1ab5 s THR 87 N 1.35 3.63 -0.07 3.92 2.01 -0.84 -1.18 115.64 124.46 1ab5 s THR 87 Ca 0.04 -1.15 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 1ab5 s THR 87 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1ab5 s THR 87 CO -0.08 0.12 1.33 0.00 -0.69 0.00 0.00 174.62 175.30 1ab5 s ALA 88 N -1.25 3.59 0.00 7.40 0.00 -1.26 -1.96 121.76 128.28 1ab5 s ALA 88 Ca 0.23 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1ab5 s ALA 88 Cb -0.11 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1ab5 s ALA 88 CO 0.15 -1.00 0.00 -1.91 0.00 0.00 0.00 175.76 173.00 1ab5 n GLU 89 N 5.89 0.00 0.00 0.00 0.00 -1.21 -4.89 120.64 120.42 1ab5 n GLU 89 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1ab5 n GLU 89 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.89 1ab5 n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ab5 n ALA 90 N 0.00 0.00 -1.89 4.31 0.00 -1.26 -4.97 120.51 116.69 1ab5 n ALA 90 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ab5 n ALA 90 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1ab5 n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ab5 n LYS 91 N -0.02 4.14 -0.61 0.00 4.81 -1.26 -4.92 118.16 120.29 1ab5 n LYS 91 Ca 0.00 -3.24 -0.14 0.00 -0.87 0.00 0.00 58.31 54.06 1ab5 n LYS 91 Cb 0.00 -2.52 0.11 0.00 0.02 0.00 0.00 35.03 32.65 1ab5 n LYS 91 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ab5 n LYS 92 N 1.49 -1.67 0.00 1.64 5.02 -1.26 -5.01 118.16 118.38 1ab5 n LYS 92 Ca 0.59 -0.88 0.08 0.00 -2.02 0.00 0.00 58.31 56.09 1ab5 n LYS 92 Cb 0.31 -0.75 -0.07 0.00 -0.02 0.00 0.00 35.03 34.51 1ab5 n LYS 92 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ab5 n GLU 93 N -2.91 1.50 0.09 1.97 0.28 -1.26 -4.05 120.64 116.25 1ab5 n GLU 93 Ca 0.07 -0.28 -0.07 0.00 -0.16 0.00 0.00 57.16 56.73 1ab5 n GLU 93 Cb 0.28 -1.30 0.03 0.00 1.43 0.00 0.00 31.44 31.88 1ab5 n GLU 93 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1ab5 h ASN 94 N 0.64 0.20 -0.89 -1.84 2.35 -1.95 -2.35 115.58 111.74 1ab5 h ASN 94 Ca 0.00 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1ab5 h ASN 94 Cb 0.46 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1ab5 h ASN 94 CO 0.00 0.92 0.58 0.40 -1.65 0.00 0.00 177.43 177.68 1ab5 h ILE 95 N 0.10 1.23 -0.64 2.81 2.04 -1.92 0.21 117.51 121.34 1ab5 h ILE 95 Ca -0.03 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 1ab5 h ILE 95 Cb 1.40 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1ab5 h ILE 95 CO 0.12 0.23 0.18 0.40 0.00 0.00 0.00 178.15 179.08 1ab5 h ILE 96 N 1.22 1.25 0.15 -0.67 5.03 -1.68 -0.79 117.51 122.02 1ab5 h ILE 96 Ca 0.33 -0.89 -0.01 0.00 -0.12 0.00 0.00 64.86 64.17 1ab5 h ILE 96 Cb -0.12 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 34.28 1ab5 h ILE 96 CO -0.07 0.34 -0.07 0.00 -0.68 0.00 0.00 178.15 177.67 1ab5 h ALA 97 N 1.07 -0.21 -0.62 1.87 0.00 -0.85 0.42 119.26 120.95 1ab5 h ALA 97 Ca 0.20 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1ab5 h ALA 97 Cb 0.32 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1ab5 h ALA 97 CO -0.00 -0.42 0.08 0.00 0.00 0.00 0.00 179.25 178.91 1ab5 h ALA 98 N 0.14 0.70 -0.36 0.00 0.00 -0.54 0.40 119.26 119.60 1ab5 h ALA 98 Ca -0.02 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1ab5 h ALA 98 Cb 0.46 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ab5 h ALA 98 CO 0.03 -0.35 -0.24 0.00 0.00 0.00 0.00 179.25 178.70 1ab5 h ALA 99 N 1.53 0.91 0.00 0.00 0.00 -1.12 0.12 119.26 120.70 1ab5 h ALA 99 Ca 0.33 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1ab5 h ALA 99 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ab5 h ALA 99 CO -0.47 0.62 -0.54 0.37 0.00 0.00 0.00 179.25 179.24 1ab5 h GLN 100 N 0.63 0.00 -0.01 0.00 4.15 0.54 -2.79 115.11 117.63 1ab5 h GLN 100 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1ab5 h GLN 100 Cb 0.73 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1ab5 h GLN 100 CO 0.06 0.54 -0.07 0.00 -1.93 0.00 0.00 178.83 177.42 1ab5 n ALA 101 N -2.41 2.72 -0.77 3.38 0.00 0.13 -4.95 120.51 118.61 1ab5 n ALA 101 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1ab5 n ALA 101 Cb 0.56 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1ab5 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ab5 n GLY 102 N 1.20 1.26 3.74 0.00 0.00 -0.81 -4.64 105.19 105.94 1ab5 n GLY 102 Ca 0.18 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1ab5 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab5 s ALA 103 N -2.14 3.34 0.12 4.61 0.00 0.35 -4.87 121.76 123.17 1ab5 s ALA 103 Ca 0.00 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 1ab5 s ALA 103 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1ab5 s ALA 103 CO 0.00 -0.13 1.68 0.77 0.00 0.00 0.00 175.76 178.08 1ab5 h SER 104 N 5.06 0.42 -5.12 0.00 0.02 -1.37 -3.44 113.55 109.13 1ab5 h SER 104 Ca -0.44 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.30 1ab5 h SER 104 Cb 1.21 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1ab5 h SER 104 CO 0.72 0.45 0.16 -0.83 -1.14 0.00 0.00 176.83 176.18 1ab5 s GLY 105 N -2.79 0.56 0.01 -3.77 0.00 -1.12 -4.93 107.32 95.29 1ab5 s GLY 105 Ca -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1ab5 s GLY 105 CO 0.73 -0.44 0.06 -2.52 0.00 0.00 0.00 173.10 170.92 1ab5 s TYR 106 N -2.71 0.15 -0.05 1.90 1.13 -1.26 -0.40 117.35 116.12 1ab5 s TYR 106 Ca 0.18 -0.34 -0.04 0.00 -1.41 0.00 0.00 57.07 55.46 1ab5 s TYR 106 Cb -0.04 -0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.72 1ab5 s TYR 106 CO 0.13 -0.25 0.13 0.54 -2.51 0.00 0.00 175.55 173.59 1ab5 s VAL 107 N -1.48 -0.02 0.09 -3.49 0.11 0.10 -4.90 120.40 110.81 1ab5 s VAL 107 Ca -0.15 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 58.80 1ab5 s VAL 107 Cb -0.08 -0.20 -0.07 0.00 -1.53 0.00 0.00 36.38 34.50 1ab5 s VAL 107 CO 0.00 0.02 0.52 -0.69 -3.33 0.00 0.00 175.10 171.62 1ab5 s VAL 108 N 0.40 4.86 0.08 2.04 1.01 -1.26 -1.99 120.40 125.54 1ab5 s VAL 108 Ca -0.03 0.93 0.03 0.00 0.00 0.00 0.00 61.98 62.92 1ab5 s VAL 108 Cb -0.04 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1ab5 s VAL 108 CO -0.02 0.40 0.05 -1.59 0.00 0.00 0.00 175.10 173.95 1ab5 s LYS 109 N -1.53 2.78 0.54 2.72 -2.85 -0.83 -3.83 119.74 116.75 1ab5 s LYS 109 Ca 0.32 -0.72 -0.16 0.00 -1.00 0.00 0.00 55.97 54.41 1ab5 s LYS 109 Cb -0.17 -2.67 -0.07 0.00 -2.06 0.00 0.00 37.83 32.87 1ab5 s LYS 109 CO 0.18 0.56 1.00 -1.25 0.10 0.00 0.00 175.35 175.95 1ab5 s PRO 110 N -2.30 3.79 0.30 1.78 0.04 -1.26 -3.33 135.00 134.03 1ab5 s PRO 110 Ca 0.27 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.32 1ab5 s PRO 110 Cb -0.12 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1ab5 s PRO 110 CO 0.20 -0.41 0.04 -0.59 0.04 0.00 0.00 177.00 176.28 1ab5 s PHE 111 N -2.68 1.89 0.50 0.56 -0.71 -1.25 -5.10 117.98 111.20 1ab5 s PHE 111 Ca 0.59 -0.93 0.06 0.00 -1.04 0.00 0.00 56.93 55.61 1ab5 s PHE 111 Cb -0.11 -1.20 0.01 0.00 -1.21 0.00 0.00 43.02 40.52 1ab5 s PHE 111 CO 0.35 0.02 0.38 0.95 -1.34 0.00 0.00 175.22 175.58 1ab5 s THR 112 N -3.30 1.95 0.34 -4.49 -4.23 -1.26 -4.98 115.64 99.68 1ab5 s THR 112 Ca 0.35 -1.48 0.34 0.00 -1.18 0.00 0.00 61.69 59.71 1ab5 s THR 112 Cb 0.08 -2.43 0.36 0.00 1.34 0.00 0.00 72.50 71.84 1ab5 s THR 112 CO 0.14 0.00 2.10 0.00 -0.54 0.00 0.00 174.62 176.32 1ab5 h ALA 113 N 0.89 1.09 0.06 3.99 0.00 -1.99 -1.11 119.26 122.20 1ab5 h ALA 113 Ca -0.38 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 1ab5 h ALA 113 Cb 1.29 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1ab5 h ALA 113 CO 0.59 0.07 -0.58 0.00 0.00 0.00 0.00 179.25 179.33 1ab5 h ALA 114 N 1.94 -0.01 -0.31 0.00 0.00 -1.96 -1.77 119.26 117.16 1ab5 h ALA 114 Ca -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1ab5 h ALA 114 Cb 0.35 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ab5 h ALA 114 CO 0.01 0.28 -0.20 1.15 0.00 0.00 0.00 179.25 180.49 1ab5 h THR 115 N -0.38 1.26 -0.26 0.00 2.02 -1.89 -1.16 112.91 112.50 1ab5 h THR 115 Ca -0.09 -1.21 -0.17 0.00 0.77 0.00 0.00 66.41 65.72 1ab5 h THR 115 Cb 1.38 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1ab5 h THR 115 CO 0.11 0.39 -0.49 0.25 0.37 0.00 0.00 175.52 176.15 1ab5 h LEU 116 N 0.51 0.89 -1.24 2.58 5.85 -1.27 -2.20 115.31 120.43 1ab5 h LEU 116 Ca 0.08 -0.54 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1ab5 h LEU 116 Cb 0.62 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1ab5 h LEU 116 CO 0.04 1.26 -0.19 -0.08 -0.34 0.00 0.00 178.44 179.13 1ab5 h GLU 117 N 0.55 0.29 -0.04 1.25 4.81 -1.15 -0.34 114.58 119.95 1ab5 h GLU 117 Ca 0.01 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ab5 h GLU 117 Cb 1.10 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1ab5 h GLU 117 CO 0.11 0.47 0.01 1.49 -0.73 0.00 0.00 179.01 180.36 1ab5 h GLU 118 N 0.27 0.06 -0.06 1.92 4.81 -0.97 -1.72 114.58 118.87 1ab5 h GLU 118 Ca 0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1ab5 h GLU 118 Cb 0.49 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1ab5 h GLU 118 CO 0.03 0.27 0.02 0.87 -0.73 0.00 0.00 179.01 179.47 1ab5 h LYS 119 N -0.16 0.10 -1.01 1.92 1.79 -1.07 -2.35 116.57 115.79 1ab5 h LYS 119 Ca 0.01 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1ab5 h LYS 119 Cb 0.24 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.81 1ab5 h LYS 119 CO 0.00 0.28 0.65 -0.07 -1.08 0.00 0.00 179.45 179.23 1ab5 h LEU 120 N -0.10 1.05 -0.40 2.94 3.38 -1.09 -1.62 115.31 119.47 1ab5 h LEU 120 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1ab5 h LEU 120 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ab5 h LEU 120 CO -0.00 0.67 0.09 0.78 0.09 0.00 0.00 178.44 180.08 1ab5 h ASN 121 N 1.19 0.61 -0.83 -0.43 2.35 -1.15 0.24 115.58 117.56 1ab5 h ASN 121 Ca 0.43 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1ab5 h ASN 121 Cb 0.15 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1ab5 h ASN 121 CO -0.17 0.69 0.55 0.11 -1.65 0.00 0.00 177.43 176.96 1ab5 h LYS 122 N 0.51 1.06 -0.44 0.81 1.57 -0.89 -0.32 116.57 118.87 1ab5 h LYS 122 Ca 0.13 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1ab5 h LYS 122 Cb 0.32 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1ab5 h LYS 122 CO 0.00 0.70 -0.13 0.82 -0.57 0.00 0.00 179.45 180.27 1ab5 h ILE 123 N 1.09 1.27 -0.33 1.86 2.04 -0.99 -2.29 117.51 120.17 1ab5 h ILE 123 Ca 0.32 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1ab5 h ILE 123 Cb -0.07 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1ab5 h ILE 123 CO -0.09 0.43 0.20 -0.26 0.00 0.00 0.00 178.15 178.43 1ab5 h PHE 124 N 0.69 0.43 0.16 1.37 0.04 0.28 -2.90 116.94 117.01 1ab5 h PHE 124 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1ab5 h PHE 124 Cb 0.68 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1ab5 h PHE 124 CO 0.05 0.29 -0.08 0.93 -0.60 0.00 0.00 178.31 178.91 1ab5 h GLU 125 N 0.46 -0.21 0.00 1.51 4.39 -0.77 -3.14 114.58 116.82 1ab5 h GLU 125 Ca 0.12 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1ab5 h GLU 125 Cb -0.01 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1ab5 h GLU 125 CO -0.02 0.20 0.00 0.36 -1.16 0.00 0.00 179.01 178.38 1ab5 n LYS 126 N -4.98 0.19 0.00 2.33 2.85 -0.89 -4.24 118.16 113.42 1ab5 n LYS 126 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1ab5 n LYS 126 Cb 0.26 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.29 1ab5 n LYS 126 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ab5 n LEU 127 N -0.85 0.00 0.00 -5.58 4.77 -1.17 -5.09 117.00 109.08 1ab5 n LEU 127 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ab5 n LEU 127 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ab5 n LEU 127 CO 0.02 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1ab5 n GLY 128 N 5.00 -0.14 0.83 -0.72 0.00 -1.25 -5.12 105.19 103.80 1ab5 n GLY 128 Ca 0.00 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1ab5 n GLY 128 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19