#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s GLU 5 N 0.00 4.17 -0.38 0.00 2.02 -1.26 -4.97 118.70 118.28 3i55 s GLU 5 Ca 0.00 2.50 0.01 0.00 0.02 0.00 0.00 54.97 57.49 3i55 s GLU 5 Cb 0.00 -3.07 0.13 0.00 0.10 0.00 0.00 34.13 31.28 3i55 s GLU 5 CO 0.00 -0.62 0.19 0.12 0.02 0.00 0.00 175.26 174.98 3i55 s PHE 6 N 0.46 1.55 -0.97 1.61 5.36 -1.26 -5.06 117.98 119.66 3i55 s PHE 6 Ca 0.66 -2.00 -0.26 0.00 -0.96 0.00 0.00 56.93 54.38 3i55 s PHE 6 Cb -0.46 -1.58 -0.16 0.00 -0.34 0.00 0.00 43.02 40.48 3i55 s PHE 6 CO 0.41 -0.82 2.18 0.34 -1.46 0.00 0.00 175.22 175.87 3i55 s ASP 7 N 0.91 3.96 0.05 6.13 -1.08 -1.26 -4.91 116.67 120.48 3i55 s ASP 7 Ca 0.15 -0.66 -0.28 0.00 -0.52 0.00 0.00 52.55 51.24 3i55 s ASP 7 Cb -0.22 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.62 3i55 s ASP 7 CO -0.07 -4.04 0.91 0.00 0.52 0.00 0.00 175.17 172.48 3i55 s ALA 8 N 14.81 3.25 0.20 3.66 0.00 -1.26 -4.92 121.76 137.49 3i55 s ALA 8 Ca 0.83 0.47 0.19 0.00 0.00 0.00 0.00 51.96 53.45 3i55 s ALA 8 Cb -0.08 -3.22 0.73 0.00 0.00 0.00 0.00 23.12 20.56 3i55 s ALA 8 CO 0.12 -0.07 1.76 -0.44 0.00 0.00 0.00 175.76 177.13 3i55 h ASP 9 N 6.03 0.00 -3.64 0.00 3.32 -1.52 -3.43 116.42 117.17 3i55 h ASP 9 Ca -0.42 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.39 3i55 h ASP 9 Cb 1.21 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.47 3i55 h ASP 9 CO 0.73 0.36 -0.65 -0.69 -1.72 0.00 0.00 179.24 177.26 3i55 s VAL 10 N -3.68 -0.02 -0.17 -1.35 1.01 -1.20 -4.94 120.40 110.05 3i55 s VAL 10 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3i55 s VAL 10 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.36 3i55 s VAL 10 CO 0.68 0.03 -0.11 -0.63 0.00 0.00 0.00 175.10 175.07 3i55 s ILE 11 N 0.46 2.98 -0.07 2.22 1.01 -1.26 -0.82 121.20 125.71 3i55 s ILE 11 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.98 3i55 s ILE 11 Cb -0.05 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3i55 s ILE 11 CO -0.02 0.49 -0.12 -0.69 0.00 0.00 0.00 174.94 174.61 3i55 s VAL 12 N 0.91 3.26 -0.46 2.92 1.01 0.14 -1.04 120.40 127.14 3i55 s VAL 12 Ca -0.02 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3i55 s VAL 12 Cb -0.15 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 33.97 3i55 s VAL 12 CO -0.01 0.58 0.45 -0.62 0.00 0.00 0.00 175.10 175.50 3i55 s ASP 13 N -0.52 6.18 0.26 3.32 3.68 0.12 -0.10 116.67 129.61 3i55 s ASP 13 Ca 0.07 -0.98 0.03 0.00 2.13 0.00 0.00 52.55 53.80 3i55 s ASP 13 Cb -0.12 -2.22 0.35 0.00 -1.45 0.00 0.00 42.92 39.49 3i55 s ASP 13 CO 0.02 -0.66 1.66 0.00 0.13 0.00 0.00 175.17 176.31 3i55 h ALA 14 N 8.79 1.00 -0.11 3.66 0.00 -1.40 -3.44 119.26 127.76 3i55 h ALA 14 Ca -0.27 -0.42 -0.44 0.00 0.00 0.00 0.00 54.91 53.79 3i55 h ALA 14 Cb 1.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3i55 h ALA 14 CO 0.86 0.61 0.66 -2.13 0.00 0.00 0.00 179.25 179.24 3i55 n ARG 15 N -4.04 0.00 -2.19 0.00 0.63 -1.25 0.21 116.66 110.03 3i55 n ARG 15 Ca -0.01 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.75 3i55 n ARG 15 Cb 0.49 -0.82 -0.02 0.00 0.45 0.00 0.00 32.46 32.55 3i55 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3i55 n ASP 16 N 3.73 -4.86 -4.23 6.15 9.92 -0.84 -4.95 116.55 121.47 3i55 n ASP 16 Ca 0.28 0.04 -0.32 0.00 -0.53 0.00 0.00 54.79 54.26 3i55 n ASP 16 Cb -0.02 -3.95 -0.17 0.00 -0.64 0.00 0.00 41.12 36.34 3i55 n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i55 n ILE 18 N 3.44 -0.02 -0.16 0.00 5.41 0.22 -2.87 119.36 125.39 3i55 n ILE 18 Ca -0.19 -0.52 -0.04 0.00 1.00 0.00 0.00 62.75 63.00 3i55 n ILE 18 Cb 0.53 -2.07 -0.04 0.00 -0.71 0.00 0.00 39.64 37.35 3i55 n ILE 18 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 3i55 n MET 19 N 8.78 -0.17 -0.20 0.38 0.00 0.70 -1.29 117.12 125.32 3i55 n MET 19 Ca 0.45 0.85 -0.03 0.00 -0.00 0.00 0.00 57.70 58.97 3i55 n MET 19 Cb 0.37 -1.26 0.03 0.00 0.00 0.00 0.00 33.22 32.37 3i55 n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3i55 h GLY 20 N 0.00 0.16 0.79 -5.12 0.00 -1.88 0.48 103.07 97.50 3i55 h GLY 20 Ca 0.06 0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.72 3i55 h GLY 20 CO -0.36 -0.23 -0.11 3.21 0.00 0.00 0.00 176.54 179.05 3i55 h ARG 21 N -0.10 -0.21 -0.30 4.80 3.08 -1.58 0.12 114.38 120.20 3i55 h ARG 21 Ca 0.26 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.38 3i55 h ARG 21 Cb 0.51 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 3i55 h ARG 21 CO -0.65 -0.14 -0.05 0.28 -1.07 0.00 0.00 179.97 178.33 3i55 h VAL 22 N -0.22 0.72 -0.22 2.04 2.07 -0.16 -2.40 116.25 118.08 3i55 h VAL 22 Ca 0.02 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3i55 h VAL 22 Cb 0.24 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3i55 h VAL 22 CO -0.07 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.43 3i55 h ALA 23 N 1.29 0.11 -0.98 1.67 0.00 0.41 -1.58 119.26 120.17 3i55 h ALA 23 Ca 0.14 0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.35 3i55 h ALA 23 Cb 0.21 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 3i55 h ALA 23 CO -0.29 -0.51 0.57 1.03 0.00 0.00 0.00 179.25 180.06 3i55 h SER 24 N -0.05 0.68 0.10 0.00 0.87 -0.27 0.11 113.55 114.99 3i55 h SER 24 Ca 0.12 0.12 -0.27 0.00 -1.23 0.00 0.00 61.79 60.52 3i55 h SER 24 Cb 0.23 0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.21 3i55 h SER 24 CO -0.26 0.18 -1.10 1.56 -0.53 0.00 0.00 176.83 176.68 3i55 h GLN 25 N 0.65 0.63 -0.74 2.24 4.20 -1.13 -2.47 115.11 118.49 3i55 h GLN 25 Ca 0.60 -0.73 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3i55 h GLN 25 Cb 1.03 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 3i55 h GLN 25 CO -0.43 1.31 0.44 0.28 -0.67 0.00 0.00 178.83 179.76 3i55 h VAL 26 N 0.33 1.21 0.36 -0.54 2.07 -0.23 -1.10 116.25 118.35 3i55 h VAL 26 Ca -0.14 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3i55 h VAL 26 Cb 1.76 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3i55 h VAL 26 CO 0.21 0.22 -0.26 0.00 0.02 0.00 0.00 177.57 177.76 3i55 h ALA 27 N 1.23 -0.61 -0.53 1.67 0.00 -0.85 0.53 119.26 120.70 3i55 h ALA 27 Ca 0.27 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3i55 h ALA 27 Cb -0.03 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 3i55 h ALA 27 CO -0.05 -0.86 -0.38 1.49 0.00 0.00 0.00 179.25 179.45 3i55 h GLU 28 N -0.62 -0.21 0.22 0.00 4.57 -1.05 -1.22 114.58 116.28 3i55 h GLU 28 Ca -0.03 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3i55 h GLU 28 Cb 0.53 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3i55 h GLU 28 CO 0.01 -0.14 -0.11 1.96 -1.18 0.00 0.00 179.01 179.55 3i55 h GLN 29 N -0.22 -0.28 -1.08 1.92 4.20 -0.98 -2.27 115.11 116.40 3i55 h GLN 29 Ca 0.19 0.02 0.29 0.00 0.06 0.00 0.00 58.65 59.21 3i55 h GLN 29 Cb 0.56 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.31 3i55 h GLN 29 CO -0.65 -0.10 0.71 0.00 -0.67 0.00 0.00 178.83 178.12 3i55 h ALA 30 N 0.35 2.39 0.00 3.87 0.00 -0.41 1.54 119.26 127.01 3i55 h ALA 30 Ca -0.03 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3i55 h ALA 30 Cb 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i55 h ALA 30 CO 0.05 -0.81 -0.43 -0.07 0.00 0.00 0.00 179.25 177.99 3i55 h LEU 31 N 0.31 0.00 -0.50 0.00 3.38 -0.87 -2.45 115.31 115.18 3i55 h LEU 31 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3i55 h LEU 31 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3i55 h LEU 31 CO -0.27 0.43 0.00 0.47 0.09 0.00 0.00 178.44 179.16 3i55 n ASP 32 N -3.46 0.73 0.00 -0.43 8.00 0.52 -4.85 116.55 117.06 3i55 n ASP 32 Ca 0.00 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.72 3i55 n ASP 32 Cb 0.57 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3i55 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i55 n GLY 33 N 0.82 0.76 3.90 0.44 0.00 -0.83 -5.06 105.19 105.22 3i55 n GLY 33 Ca 0.09 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3i55 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i55 s GLU 34 N -0.74 3.43 -0.66 1.61 0.41 -0.85 -4.99 118.70 116.92 3i55 s GLU 34 Ca 0.00 0.32 0.06 0.00 -0.41 0.00 0.00 54.97 54.94 3i55 s GLU 34 Cb 0.00 -2.27 0.22 0.00 -1.78 0.00 0.00 34.13 30.30 3i55 s GLU 34 CO 0.00 -0.41 0.66 2.41 -0.49 0.00 0.00 175.26 177.43 3i55 n THR 35 N -2.46 2.07 -1.83 3.63 -1.04 -1.26 -4.34 114.28 109.04 3i55 n THR 35 Ca 0.03 -5.08 -0.34 0.00 -2.04 0.00 0.00 64.05 56.61 3i55 n THR 35 Cb 0.55 -2.12 0.05 0.00 -1.82 0.00 0.00 70.33 66.99 3i55 n THR 35 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i55 s VAL 36 N -2.12 2.82 -0.11 12.58 1.01 -1.24 -1.24 120.40 132.10 3i55 s VAL 36 Ca 0.35 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3i55 s VAL 36 Cb 0.09 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.47 3i55 s VAL 36 CO -0.07 -0.18 0.14 0.00 0.00 0.00 0.00 175.10 174.99 3i55 s ALA 37 N -1.95 0.01 -0.13 5.51 0.00 -0.00 -3.21 121.76 121.99 3i55 s ALA 37 Ca 0.73 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 3i55 s ALA 37 Cb -0.26 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 3i55 s ALA 37 CO 0.38 -0.76 0.35 0.08 0.00 0.00 0.00 175.76 175.80 3i55 s VAL 38 N 2.25 5.25 0.09 0.00 1.01 -0.44 0.23 120.40 128.79 3i55 s VAL 38 Ca 0.04 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.77 3i55 s VAL 38 Cb -0.13 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3i55 s VAL 38 CO -0.07 0.40 -0.21 0.54 0.00 0.00 0.00 175.10 175.77 3i55 s VAL 39 N 0.27 1.71 -0.86 2.92 0.11 0.86 0.08 120.40 125.49 3i55 s VAL 39 Ca 0.20 -1.50 -0.04 0.00 -2.93 0.00 0.00 61.98 57.70 3i55 s VAL 39 Cb -0.14 -1.55 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 3i55 s VAL 39 CO 0.07 -0.02 0.75 0.59 -3.33 0.00 0.00 175.10 173.15 3i55 n ASN 40 N 1.19 -4.20 -0.25 3.54 3.02 0.50 -1.26 115.26 117.79 3i55 n ASN 40 Ca -0.19 -0.36 -0.06 0.00 -0.03 0.00 0.00 54.58 53.93 3i55 n ASN 40 Cb 0.53 -3.48 0.05 0.00 -0.61 0.00 0.00 39.78 36.28 3i55 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i55 h ALA 41 N 0.65 0.89 -1.01 5.41 0.00 -1.71 -1.70 119.26 121.78 3i55 h ALA 41 Ca -0.37 -0.15 0.28 0.00 0.00 0.00 0.00 54.91 54.66 3i55 h ALA 41 Cb 1.24 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3i55 h ALA 41 CO 0.36 0.47 0.70 1.05 0.00 0.00 0.00 179.25 181.83 3i55 h GLU 42 N 0.97 0.14 -0.64 0.00 9.09 -1.87 0.72 114.58 122.98 3i55 h GLU 42 Ca 0.24 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.64 3i55 h GLU 42 Cb 0.14 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 3i55 h GLU 42 CO -0.03 0.09 0.00 0.54 0.05 0.00 0.00 179.01 179.66 3i55 n ARG 43 N -4.36 3.93 -1.70 1.06 1.74 -0.65 -1.75 116.66 114.93 3i55 n ARG 43 Ca 0.22 -2.66 -0.30 0.00 -0.77 0.00 0.00 57.85 54.35 3i55 n ARG 43 Cb 0.99 -2.00 0.21 0.00 -1.02 0.00 0.00 32.46 30.64 3i55 n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i55 s ALA 44 N -2.17 1.76 0.09 7.54 0.00 0.25 -1.98 121.76 127.24 3i55 s ALA 44 Ca 0.47 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 3i55 s ALA 44 Cb 0.33 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.68 3i55 s ALA 44 CO 0.18 -2.83 0.30 0.54 0.00 0.00 0.00 175.76 173.96 3i55 s VAL 45 N -3.68 0.10 -0.16 0.00 0.11 -1.14 -3.13 120.40 112.50 3i55 s VAL 45 Ca 0.74 -0.79 -0.04 0.00 -2.93 0.00 0.00 61.98 58.96 3i55 s VAL 45 Cb -0.05 -1.14 0.08 0.00 -1.53 0.00 0.00 36.38 33.74 3i55 s VAL 45 CO 0.54 -0.44 0.23 -0.51 -3.33 0.00 0.00 175.10 171.59 3i55 s ILE 46 N -3.39 -0.36 0.96 7.04 2.07 -0.82 -0.22 121.20 126.49 3i55 s ILE 46 Ca 0.01 0.12 -0.11 0.00 -1.41 0.00 0.00 60.65 59.26 3i55 s ILE 46 Cb 0.02 -0.53 0.17 0.00 0.13 0.00 0.00 42.46 42.25 3i55 s ILE 46 CO -0.09 -0.02 1.11 0.42 -1.91 0.00 0.00 174.94 174.45 3i55 s THR 47 N 2.36 2.22 0.00 4.00 -4.23 -1.26 -1.30 115.64 117.44 3i55 s THR 47 Ca 0.04 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 3i55 s THR 47 Cb -0.14 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3i55 s THR 47 CO -0.10 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 3i55 n GLY 48 N 0.11 2.10 3.55 3.99 0.00 -0.50 -4.81 105.19 109.62 3i55 n GLY 48 Ca 0.09 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 3i55 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i55 s ARG 49 N -1.63 3.34 0.13 1.61 3.52 -1.26 -3.37 118.95 121.29 3i55 s ARG 49 Ca 0.00 -0.63 -0.02 0.00 -0.13 0.00 0.00 55.73 54.95 3i55 s ARG 49 Cb 0.00 -4.64 0.24 0.00 -1.56 0.00 0.00 34.95 28.99 3i55 s ARG 49 CO 0.00 -2.15 0.68 -1.91 -0.81 0.00 0.00 175.30 171.11 3i55 n GLU 50 N 9.07 -0.04 -0.18 5.12 2.13 -1.26 0.63 120.64 136.11 3i55 n GLU 50 Ca 0.14 0.67 -0.01 0.00 0.66 0.00 0.00 57.16 58.63 3i55 n GLU 50 Cb 0.50 -1.02 0.09 0.00 0.27 0.00 0.00 31.44 31.27 3i55 n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3i55 h GLU 51 N 0.00 0.22 0.01 5.31 3.07 -2.00 0.67 114.58 121.86 3i55 h GLU 51 Ca 0.23 -0.01 -0.23 0.00 -0.50 0.00 0.00 59.36 58.84 3i55 h GLU 51 Cb 0.39 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3i55 h GLU 51 CO -0.44 0.15 -0.96 -0.56 -1.40 0.00 0.00 179.01 175.80 3i55 h GLN 52 N 0.23 0.42 -0.21 2.33 -0.00 -0.21 -2.81 115.11 114.85 3i55 h GLN 52 Ca 0.28 -0.46 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 3i55 h GLN 52 Cb 0.40 0.13 -0.01 0.00 -0.00 0.00 0.00 27.48 28.01 3i55 h GLN 52 CO -0.38 1.12 0.13 0.82 -0.00 0.00 0.00 178.83 180.53 3i55 h ILE 53 N 0.23 1.07 -0.52 1.86 2.04 -0.80 -2.55 117.51 118.84 3i55 h ILE 53 Ca -0.08 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3i55 h ILE 53 Cb 1.60 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3i55 h ILE 53 CO 0.17 0.07 0.12 0.58 0.00 0.00 0.00 178.15 179.08 3i55 h VAL 54 N 0.27 1.22 -0.66 1.67 2.07 -0.93 -2.69 116.25 117.20 3i55 h VAL 54 Ca 0.08 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3i55 h VAL 54 Cb -0.01 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3i55 h VAL 54 CO -0.02 0.30 0.39 -0.33 0.02 0.00 0.00 177.57 177.93 3i55 h GLU 55 N 0.77 0.72 0.32 1.57 5.08 -1.19 0.54 114.58 122.39 3i55 h GLU 55 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3i55 h GLU 55 Cb 0.29 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3i55 h GLU 55 CO -0.00 0.48 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.07 3i55 h LYS 56 N 0.74 -0.47 0.00 2.33 3.64 -1.16 0.25 116.57 121.91 3i55 h LYS 56 Ca 0.28 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3i55 h LYS 56 Cb 0.09 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3i55 h LYS 56 CO -0.14 -0.31 -0.09 1.88 -2.27 0.00 0.00 179.45 178.52 3i55 h TYR 57 N -0.49 0.00 0.11 1.91 -1.99 -1.16 -2.72 116.97 112.63 3i55 h TYR 57 Ca -0.03 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.43 3i55 h TYR 57 Cb 0.40 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 3i55 h TYR 57 CO -0.09 0.09 -1.21 0.93 -0.00 0.00 0.00 178.16 177.88 3i55 h GLU 58 N 0.00 0.23 -0.46 4.88 5.08 0.68 -3.19 114.58 121.80 3i55 h GLU 58 Ca -0.00 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 3i55 h GLU 58 Cb 0.41 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3i55 h GLU 58 CO 0.01 1.19 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.96 3i55 h LYS 59 N 0.06 0.83 -0.89 2.33 1.63 -0.67 -3.01 116.57 116.85 3i55 h LYS 59 Ca -0.12 -0.28 0.09 0.00 -0.85 0.00 0.00 60.65 59.50 3i55 h LYS 59 Cb 1.94 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 33.43 3i55 h LYS 59 CO 0.19 0.90 0.54 0.00 -3.45 0.00 0.00 179.45 177.63 3i55 h ARG 60 N 0.68 0.89 -0.97 1.90 3.08 -1.57 -0.80 114.38 117.59 3i55 h ARG 60 Ca 0.13 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3i55 h ARG 60 Cb 0.54 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3i55 h ARG 60 CO 0.03 0.59 0.64 0.28 -1.07 0.00 0.00 179.97 180.43 3i55 h VAL 61 N 0.91 1.19 0.20 2.04 2.07 -1.51 -3.09 116.25 118.07 3i55 h VAL 61 Ca 0.42 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3i55 h VAL 61 Cb 0.34 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3i55 h VAL 61 CO -0.23 0.23 -0.10 0.44 0.02 0.00 0.00 177.57 177.93 3i55 h ASP 62 N 1.25 -0.23 -0.81 0.57 3.32 -1.26 -3.46 116.42 115.81 3i55 h ASP 62 Ca 0.38 -0.29 -0.58 0.00 0.02 0.00 0.00 57.03 56.56 3i55 h ASP 62 Cb -0.04 0.06 0.07 0.00 0.22 0.00 0.00 39.33 39.64 3i55 h ASP 62 CO -0.11 0.24 -0.26 -0.38 -1.72 0.00 0.00 179.24 177.01 3i55 n ILE 63 N -5.00 1.04 0.00 0.35 5.41 -0.42 -4.83 119.36 115.91 3i55 n ILE 63 Ca -0.08 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.40 3i55 n ILE 63 Cb 0.26 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 3i55 n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i55 n GLY 64 N 1.47 2.59 0.00 7.39 0.00 -1.26 -4.59 105.19 110.79 3i55 n GLY 64 Ca 0.15 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3i55 n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i55 n ASN 65 N 0.00 0.00 -0.27 1.61 0.23 -1.26 -4.95 115.26 110.62 3i55 n ASN 65 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.99 3i55 n ASN 65 Cb 0.00 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.76 3i55 n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3i55 h ASP 66 N 0.00 0.98 -0.16 0.53 3.32 -2.03 -1.60 116.42 117.46 3i55 h ASP 66 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 56.94 3i55 h ASP 66 Cb 0.00 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3i55 h ASP 66 CO 0.00 0.84 -0.01 -1.13 -1.72 0.00 0.00 179.24 177.22 3i55 h ASN 67 N 1.05 -0.08 -5.00 6.45 -0.73 -2.05 -3.48 115.58 111.74 3i55 h ASN 67 Ca 0.26 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.46 3i55 h ASN 67 Cb 0.12 0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.78 3i55 h ASN 67 CO -0.03 -0.02 0.00 0.61 -0.37 0.00 0.00 177.43 177.62 3i55 n GLY 68 N -1.17 2.49 2.77 1.57 0.00 -0.60 -4.97 105.19 105.29 3i55 n GLY 68 Ca -0.03 -1.77 -0.00 0.00 0.00 0.00 0.00 46.02 44.22 3i55 n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i55 n TYR 69 N 1.24 0.76 -1.12 1.61 9.36 -1.26 -4.74 117.16 123.01 3i55 n TYR 69 Ca 0.00 -2.03 -0.44 0.00 3.32 0.00 0.00 57.90 58.75 3i55 n TYR 69 Cb 0.00 0.02 -0.06 0.00 -0.63 0.00 0.00 39.34 38.67 3i55 n TYR 69 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3i55 n PHE 70 N -0.70 0.90 -4.18 2.98 7.35 -1.26 -4.92 117.46 117.63 3i55 n PHE 70 Ca 0.03 0.76 -0.20 0.00 -0.76 0.00 0.00 57.45 57.28 3i55 n PHE 70 Cb 0.82 -1.47 -0.16 0.00 0.35 0.00 0.00 39.48 39.01 3i55 n PHE 70 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3i55 s TYR 71 N 1.25 0.74 0.81 -5.13 5.04 -1.26 -5.14 117.35 113.65 3i55 s TYR 71 Ca 0.67 -0.20 -0.13 0.00 -2.44 0.00 0.00 57.07 54.98 3i55 s TYR 71 Cb -0.96 -0.65 0.08 0.00 0.35 0.00 0.00 41.96 40.79 3i55 s TYR 71 CO 0.49 -0.18 1.18 -1.25 -1.34 0.00 0.00 175.55 174.45 3i55 s PRO 72 N 0.86 1.68 0.00 4.97 0.04 -1.26 -4.93 135.00 136.36 3i55 s PRO 72 Ca -0.12 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3i55 s PRO 72 Cb -0.14 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3i55 s PRO 72 CO 0.00 -2.15 0.00 1.63 0.04 0.00 0.00 177.00 176.52 3i55 n LYS 73 N -3.39 0.00 -1.71 4.56 5.02 -1.26 -4.68 118.16 116.71 3i55 n LYS 73 Ca 0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.02 3i55 n LYS 73 Cb 0.51 -0.79 0.03 0.00 -0.02 0.00 0.00 35.03 34.76 3i55 n LYS 73 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i55 n ARG 74 N -2.39 1.67 0.33 1.97 5.12 -1.26 -4.32 116.66 117.78 3i55 n ARG 74 Ca 0.00 0.61 0.21 0.00 -1.93 0.00 0.00 57.85 56.74 3i55 n ARG 74 Cb 0.39 -2.43 1.12 0.00 -1.16 0.00 0.00 32.46 30.38 3i55 n ARG 74 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3i55 h PRO 75 N 1.57 0.00 0.00 5.56 0.13 -1.94 -2.80 132.00 134.52 3i55 h PRO 75 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3i55 h PRO 75 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3i55 h PRO 75 CO 0.57 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.88 3i55 n ASP 76 N -3.16 0.00 0.34 1.44 -0.08 -1.26 -3.06 116.55 110.77 3i55 n ASP 76 Ca -0.03 0.82 -0.16 0.00 -1.51 0.00 0.00 54.79 53.91 3i55 n ASP 76 Cb 0.11 -0.32 -0.08 0.00 2.34 0.00 0.00 41.12 43.17 3i55 n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3i55 h GLY 77 N 0.00 -0.90 -0.28 0.27 0.00 -1.87 -3.17 103.07 97.12 3i55 h GLY 77 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.71 3i55 h GLY 77 CO 0.00 -0.33 -0.10 1.39 0.00 0.00 0.00 176.54 177.50 3i55 n ILE 78 N -5.41 -0.14 0.25 2.60 2.08 -1.08 0.21 119.36 117.86 3i55 n ILE 78 Ca -0.13 0.66 -0.14 0.00 0.56 0.00 0.00 62.75 63.70 3i55 n ILE 78 Cb 0.36 -0.88 -0.08 0.00 -0.75 0.00 0.00 39.64 38.30 3i55 n ILE 78 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 3i55 h PHE 79 N 0.00 -0.60 -0.76 1.39 3.57 -1.59 0.79 116.94 119.75 3i55 h PHE 79 Ca 0.11 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.74 3i55 h PHE 79 Cb 0.18 0.20 -0.14 0.00 2.79 0.00 0.00 35.95 38.97 3i55 h PHE 79 CO -0.24 -0.27 -0.19 -0.22 -2.23 0.00 0.00 178.31 175.16 3i55 h LYS 80 N -0.93 0.00 -0.12 1.11 1.63 0.24 0.38 116.57 118.89 3i55 h LYS 80 Ca -0.07 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3i55 h LYS 80 Cb 0.59 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 3i55 h LYS 80 CO 0.11 0.00 0.07 -0.09 -3.45 0.00 0.00 179.45 176.09 3i55 h ARG 81 N 0.00 0.16 -0.62 1.90 9.65 0.09 -0.08 114.38 125.48 3i55 h ARG 81 Ca 0.36 -0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.35 3i55 h ARG 81 Cb 0.56 -0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 29.00 3i55 h ARG 81 CO -0.78 0.18 0.04 1.15 2.80 0.00 0.00 179.97 183.36 3i55 h THR 82 N 0.11 0.53 -0.11 0.20 2.02 0.20 0.12 112.91 115.98 3i55 h THR 82 Ca 0.04 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3i55 h THR 82 Cb 0.06 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3i55 h THR 82 CO -0.01 0.03 0.06 0.40 0.37 0.00 0.00 175.52 176.37 3i55 h ILE 83 N 0.16 1.00 -0.99 3.11 2.04 -0.04 -2.13 117.51 120.66 3i55 h ILE 83 Ca 0.33 -0.04 0.23 0.00 1.00 0.00 0.00 64.86 66.37 3i55 h ILE 83 Cb 0.53 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.38 3i55 h ILE 83 CO -0.50 0.02 0.63 -0.09 0.00 0.00 0.00 178.15 178.22 3i55 h ARG 84 N 0.12 0.50 0.00 2.37 2.43 0.11 0.45 114.38 120.36 3i55 h ARG 84 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i55 h ARG 84 Cb 0.00 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3i55 h ARG 84 CO -0.03 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.17 3i55 n GLY 85 N -1.44 -0.58 0.46 2.80 0.00 -0.31 -1.76 105.19 104.36 3i55 n GLY 85 Ca 0.23 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3i55 n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i55 n MET 86 N -1.17 2.07 -3.94 1.61 2.81 0.16 -4.98 117.12 113.68 3i55 n MET 86 Ca 0.07 -2.69 -0.10 0.00 -1.81 0.00 0.00 57.70 53.17 3i55 n MET 86 Cb 0.08 -1.66 -0.12 0.00 -0.71 0.00 0.00 33.22 30.81 3i55 n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i55 s LEU 87 N -2.83 2.12 -1.41 4.03 1.43 -0.72 -4.85 118.68 116.44 3i55 s LEU 87 Ca 0.37 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 3i55 s LEU 87 Cb 0.31 0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.65 3i55 s LEU 87 CO 0.06 -0.21 2.24 -0.81 0.23 0.00 0.00 176.35 177.86 3i55 n PRO 88 N 2.06 2.78 0.00 1.29 -0.04 -1.26 -4.74 135.00 135.09 3i55 n PRO 88 Ca -0.20 -2.52 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 3i55 n PRO 88 Cb 0.57 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 3i55 n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3i55 n HIS 89 N 6.09 0.00 0.24 0.54 1.44 -1.26 -1.75 115.22 120.52 3i55 n HIS 89 Ca 0.53 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 56.27 3i55 n HIS 89 Cb 0.38 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.49 3i55 n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i55 n LYS 90 N -0.72 2.43 -3.14 -1.40 5.02 -1.26 -4.21 118.16 114.87 3i55 n LYS 90 Ca 0.00 -0.44 -0.21 0.00 -2.02 0.00 0.00 58.31 55.64 3i55 n LYS 90 Cb 0.00 -0.94 0.01 0.00 -0.02 0.00 0.00 35.03 34.08 3i55 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i55 s LYS 91 N -0.97 3.01 0.00 1.97 1.02 -0.72 -4.93 119.74 119.13 3i55 s LYS 91 Ca 0.04 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3i55 s LYS 91 Cb 0.04 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3i55 s LYS 91 CO 0.14 -0.19 0.89 0.94 -0.92 0.00 0.00 175.35 176.22 3i55 n GLN 92 N -1.92 0.00 -0.19 1.68 7.27 -1.26 -1.44 117.38 121.52 3i55 n GLN 92 Ca 0.02 0.46 -0.02 0.00 0.07 0.00 0.00 57.00 57.53 3i55 n GLN 92 Cb 0.58 -1.39 -0.01 0.00 2.41 0.00 0.00 30.24 31.83 3i55 n GLN 92 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3i55 n ARG 93 N -1.80 -0.15 0.53 3.69 0.63 -1.26 -1.47 116.66 116.83 3i55 n ARG 93 Ca 0.00 0.75 -0.21 0.00 -0.92 0.00 0.00 57.85 57.47 3i55 n ARG 93 Cb 0.00 -1.11 -0.10 0.00 0.45 0.00 0.00 32.46 31.71 3i55 n ARG 93 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3i55 h GLY 94 N 0.00 -1.39 -0.12 5.14 0.00 -1.63 -2.79 103.07 102.28 3i55 h GLY 94 Ca 0.14 0.52 0.25 0.00 0.00 0.00 0.00 47.33 48.23 3i55 h GLY 94 CO -0.48 -0.51 0.62 -0.09 0.00 0.00 0.00 176.54 176.09 3i55 h ARG 95 N -1.35 0.52 0.82 4.80 2.43 -0.10 0.01 114.38 121.52 3i55 h ARG 95 Ca -0.14 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 3i55 h ARG 95 Cb 1.02 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3i55 h ARG 95 CO 0.22 0.35 -0.40 0.93 -1.51 0.00 0.00 179.97 179.56 3i55 h GLU 96 N 0.54 -1.07 0.07 0.20 5.08 -1.38 0.11 114.58 118.14 3i55 h GLU 96 Ca 0.62 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 59.07 3i55 h GLU 96 Cb 1.28 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.73 3i55 h GLU 96 CO -0.41 -0.70 -0.49 0.00 -1.00 0.00 0.00 179.01 176.41 3i55 h ALA 97 N -1.04 -0.88 -0.31 3.43 0.00 -1.00 0.14 119.26 119.61 3i55 h ALA 97 Ca -0.11 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3i55 h ALA 97 Cb 0.86 0.84 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 3i55 h ALA 97 CO 0.19 -1.07 -0.52 0.35 0.00 0.00 0.00 179.25 178.20 3i55 h PHE 98 N -0.69 -1.55 -0.53 0.00 3.57 -1.02 0.15 116.94 116.87 3i55 h PHE 98 Ca 0.01 0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.71 3i55 h PHE 98 Cb 0.72 0.72 -0.03 0.00 2.79 0.00 0.00 35.95 40.15 3i55 h PHE 98 CO -0.45 -0.50 0.37 0.93 -2.23 0.00 0.00 178.31 176.44 3i55 h GLU 99 N -0.45 0.13 -0.99 1.11 5.08 -0.42 0.26 114.58 119.31 3i55 h GLU 99 Ca 0.08 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 3i55 h GLU 99 Cb 0.62 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 3i55 h GLU 99 CO -0.53 0.09 0.14 -1.13 -1.00 0.00 0.00 179.01 176.57 3i55 n SER 100 N -4.42 3.07 -3.76 1.42 3.41 0.52 -4.67 113.62 109.19 3i55 n SER 100 Ca 0.09 -2.36 -0.17 0.00 -0.26 0.00 0.00 58.87 56.17 3i55 n SER 100 Cb 0.51 -0.58 -0.17 0.00 -0.26 0.00 0.00 64.21 63.72 3i55 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i55 s VAL 101 N -0.83 0.01 0.03 -3.33 1.01 0.91 -3.61 120.40 114.59 3i55 s VAL 101 Ca 0.13 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.37 3i55 s VAL 101 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 3i55 s VAL 101 CO 0.03 0.13 -0.10 -0.13 0.00 0.00 0.00 175.10 175.03 3i55 s ARG 102 N 1.35 0.67 0.04 2.72 0.52 -1.20 -4.97 118.95 118.09 3i55 s ARG 102 Ca -0.05 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 54.58 3i55 s ARG 102 Cb -0.13 -0.59 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 3i55 s ARG 102 CO -0.03 0.14 -0.07 0.08 0.02 0.00 0.00 175.30 175.44 3i55 s VAL 103 N -0.85 3.58 0.05 3.52 1.01 -1.26 -1.33 120.40 125.12 3i55 s VAL 103 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3i55 s VAL 103 Cb -0.07 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3i55 s VAL 103 CO 0.01 0.28 -0.08 -0.31 0.00 0.00 0.00 175.10 175.00 3i55 s TYR 104 N -1.09 0.74 0.04 5.22 1.51 0.11 -4.94 117.35 118.94 3i55 s TYR 104 Ca 0.19 -0.54 -0.27 0.00 -1.01 0.00 0.00 57.07 55.44 3i55 s TYR 104 Cb -0.11 -0.44 -0.05 0.00 -0.11 0.00 0.00 41.96 41.25 3i55 s TYR 104 CO 0.10 -0.08 0.83 -0.51 -1.11 0.00 0.00 175.55 174.79 3i55 s LEU 105 N -1.76 4.44 0.00 -1.29 1.43 -1.26 -2.26 118.68 117.98 3i55 s LEU 105 Ca -0.07 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 3i55 s LEU 105 Cb -0.08 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3i55 s LEU 105 CO -0.00 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.14 3i55 n GLY 106 N 2.50 1.66 2.72 -3.19 0.00 -1.26 -4.59 105.19 103.02 3i55 n GLY 106 Ca -0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 3i55 n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i55 s ASN 107 N -4.00 1.97 0.11 1.61 3.04 -1.26 0.19 114.94 116.59 3i55 s ASN 107 Ca 0.00 -0.77 0.23 0.00 0.04 0.00 0.00 52.86 52.36 3i55 s ASN 107 Cb 0.00 0.33 0.90 0.00 -1.54 0.00 0.00 41.25 40.95 3i55 s ASN 107 CO 0.00 -0.39 1.71 -0.81 -3.04 0.00 0.00 177.10 174.57 3i55 n PRO 108 N 5.30 0.10 -2.39 0.43 -0.04 -1.26 -4.84 135.00 132.29 3i55 n PRO 108 Ca -0.03 0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 3i55 n PRO 108 Cb 0.46 -1.66 0.10 0.00 -0.04 0.00 0.00 33.50 32.37 3i55 n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i55 s TYR 109 N -3.10 2.09 -0.21 0.54 2.02 -1.26 -5.05 117.35 112.38 3i55 s TYR 109 Ca 0.09 0.03 -0.13 0.00 -0.37 0.00 0.00 57.07 56.69 3i55 s TYR 109 Cb 0.12 -3.19 -0.19 0.00 -0.40 0.00 0.00 41.96 38.31 3i55 s TYR 109 CO 0.43 -1.67 0.04 -0.25 -1.57 0.00 0.00 175.55 172.54 3i55 n ASP 110 N -2.93 1.96 -4.76 2.29 8.00 -1.26 -4.94 116.55 114.91 3i55 n ASP 110 Ca 0.12 0.28 -0.36 0.00 0.71 0.00 0.00 54.79 55.54 3i55 n ASP 110 Cb 0.60 -0.83 0.03 0.00 -0.02 0.00 0.00 41.12 40.90 3i55 n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i55 s GLU 111 N -2.47 3.14 0.19 -1.24 2.02 -1.26 -4.99 118.70 114.09 3i55 s GLU 111 Ca -0.31 1.85 -0.24 0.00 0.02 0.00 0.00 54.97 56.29 3i55 s GLU 111 Cb 0.09 -2.04 -0.08 0.00 0.10 0.00 0.00 34.13 32.20 3i55 s GLU 111 CO 0.61 -1.08 0.76 -0.51 0.02 0.00 0.00 175.26 175.06 3i55 s ASP 112 N -1.50 7.28 0.49 -0.19 1.11 -1.26 -5.03 116.67 117.57 3i55 s ASP 112 Ca 0.74 1.58 -0.20 0.00 0.18 0.00 0.00 52.55 54.86 3i55 s ASP 112 Cb -0.31 -2.48 -0.08 0.00 1.07 0.00 0.00 42.92 41.12 3i55 s ASP 112 CO 0.34 0.15 1.02 -0.83 1.18 0.00 0.00 175.17 177.04 3i55 s GLY 113 N -1.31 2.42 0.67 0.21 0.00 -1.26 -4.98 107.32 103.07 3i55 s GLY 113 Ca 0.38 0.53 -0.11 0.00 0.00 0.00 0.00 44.72 45.52 3i55 s GLY 113 CO 0.24 0.84 1.06 -1.83 0.00 0.00 0.00 173.10 173.41 3i55 s GLU 114 N -3.36 3.16 -0.48 2.90 -1.05 -0.21 -4.20 118.70 115.46 3i55 s GLU 114 Ca 0.66 0.66 -0.02 0.00 -0.15 0.00 0.00 54.97 56.11 3i55 s GLU 114 Cb -0.15 -2.04 0.13 0.00 -0.44 0.00 0.00 34.13 31.63 3i55 s GLU 114 CO 0.21 -0.86 0.28 0.08 0.95 0.00 0.00 175.26 175.92 3i55 s VAL 115 N -3.23 3.37 0.36 1.83 1.01 -1.26 -0.70 120.40 121.78 3i55 s VAL 115 Ca 0.57 -2.40 -0.24 0.00 0.00 0.00 0.00 61.98 59.91 3i55 s VAL 115 Cb -0.12 -3.28 -0.14 0.00 0.00 0.00 0.00 36.38 32.84 3i55 s VAL 115 CO 0.53 -0.75 0.47 0.18 0.00 0.00 0.00 175.10 175.53 3i55 n LEU 116 N 4.18 -0.79 -4.77 3.92 4.77 -1.26 -4.88 117.00 118.16 3i55 n LEU 116 Ca 0.01 0.95 -0.40 0.00 -0.03 0.00 0.00 56.01 56.55 3i55 n LEU 116 Cb 0.40 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 3i55 n LEU 116 CO 0.33 -3.09 0.93 -1.81 -1.33 0.00 0.00 177.39 172.41 3i55 s ASP 117 N -0.94 6.59 0.00 -1.43 1.01 -1.26 -3.18 116.67 117.47 3i55 s ASP 117 Ca 0.62 2.57 0.00 0.00 0.71 0.00 0.00 52.55 56.45 3i55 s ASP 117 Cb -0.68 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.61 3i55 s ASP 117 CO 0.59 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.94 3i55 n GLY 118 N 0.75 0.50 0.03 0.21 0.00 -1.26 -4.88 105.19 100.53 3i55 n GLY 118 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3i55 n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i55 n THR 119 N -2.57 0.27 -1.85 2.61 -2.24 -1.19 -4.92 114.28 104.39 3i55 n THR 119 Ca 0.00 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 60.90 3i55 n THR 119 Cb 0.08 -0.08 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3i55 n THR 119 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i55 s SER 120 N -4.59 5.20 -0.12 3.42 0.01 -1.26 0.73 113.70 117.09 3i55 s SER 120 Ca -0.08 2.05 0.03 0.00 1.31 0.00 0.00 55.95 59.25 3i55 s SER 120 Cb 0.12 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.80 3i55 s SER 120 CO 0.85 -1.57 -0.21 -0.22 0.41 0.00 0.00 173.24 172.50 3i55 s LEU 121 N -4.66 2.05 -0.66 2.44 2.96 0.30 -4.75 118.68 116.37 3i55 s LEU 121 Ca 0.68 -0.56 -0.25 0.00 -0.22 0.00 0.00 54.13 53.78 3i55 s LEU 121 Cb -0.21 -1.38 0.05 0.00 0.50 0.00 0.00 46.19 45.15 3i55 s LEU 121 CO 0.39 0.09 1.07 -0.62 -1.32 0.00 0.00 176.35 175.96 3i55 s ASP 122 N 0.71 6.22 0.56 3.68 2.15 -1.26 -4.87 116.67 123.85 3i55 s ASP 122 Ca -0.10 -0.64 0.30 0.00 0.43 0.00 0.00 52.55 52.54 3i55 s ASP 122 Cb -0.16 -2.47 1.46 0.00 -0.30 0.00 0.00 42.92 41.45 3i55 s ASP 122 CO 0.01 -1.52 1.88 0.03 -0.17 0.00 0.00 175.17 175.40 3i55 h ARG 123 N 9.66 0.00 0.00 4.34 3.08 -1.97 0.30 114.38 129.79 3i55 h ARG 123 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3i55 h ARG 123 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3i55 h ARG 123 CO 1.19 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 181.37 3i55 n LEU 124 N -4.04 0.70 -0.09 3.04 4.77 -1.26 -3.00 117.00 117.11 3i55 n LEU 124 Ca 0.15 0.63 0.02 0.00 -0.03 0.00 0.00 56.01 56.78 3i55 n LEU 124 Cb 0.86 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3i55 n LEU 124 CO 0.34 -0.43 0.14 -1.20 -1.33 0.00 0.00 177.39 174.92 3i55 n SER 125 N -2.23 0.76 -3.94 -1.43 7.64 0.99 -5.00 113.62 110.41 3i55 n SER 125 Ca 0.03 -0.88 -0.20 0.00 1.01 0.00 0.00 58.87 58.83 3i55 n SER 125 Cb 0.29 0.55 -0.16 0.00 -1.01 0.00 0.00 64.21 63.88 3i55 n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3i55 s ASN 126 N -0.98 1.06 -0.01 6.43 0.01 -0.75 -5.00 114.94 115.70 3i55 s ASN 126 Ca 0.04 -0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.06 3i55 s ASN 126 Cb 0.04 -0.44 -0.05 0.00 0.41 0.00 0.00 41.25 41.21 3i55 s ASN 126 CO 0.13 -0.01 0.07 0.00 -1.51 0.00 0.00 177.10 175.79 3i55 n ILE 127 N 3.76 0.02 -3.43 0.60 3.06 -1.26 -4.64 119.36 117.46 3i55 n ILE 127 Ca -0.23 -0.09 -0.44 0.00 -2.50 0.00 0.00 62.75 59.50 3i55 n ILE 127 Cb 0.52 0.32 -0.04 0.00 0.54 0.00 0.00 39.64 40.98 3i55 n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3i55 s LYS 128 N -2.24 3.46 0.34 9.51 1.02 -1.26 -4.98 119.74 125.59 3i55 s LYS 128 Ca -0.01 -2.63 -0.16 0.00 0.02 0.00 0.00 55.97 53.19 3i55 s LYS 128 Cb 0.02 -4.28 0.04 0.00 -0.52 0.00 0.00 37.83 33.09 3i55 s LYS 128 CO 0.15 -1.26 0.73 -0.59 -0.92 0.00 0.00 175.35 173.46 3i55 s PHE 129 N -0.16 0.10 0.07 3.18 -0.12 -1.22 -1.41 117.98 118.42 3i55 s PHE 129 Ca 0.20 -0.66 -0.03 0.00 -0.05 0.00 0.00 56.93 56.39 3i55 s PHE 129 Cb -0.12 0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 3i55 s PHE 129 CO -0.08 -1.41 0.03 0.08 -0.05 0.00 0.00 175.22 173.80 3i55 s VAL 130 N -2.96 0.18 -0.22 -2.49 1.01 -0.42 -4.77 120.40 110.73 3i55 s VAL 130 Ca 0.15 -1.69 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 3i55 s VAL 130 Cb -0.05 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3i55 s VAL 130 CO 0.10 -0.84 0.11 -0.89 0.00 0.00 0.00 175.10 173.59 3i55 s THR 131 N -3.93 4.91 0.34 3.92 2.01 -1.26 -1.94 115.64 119.69 3i55 s THR 131 Ca 0.09 0.02 0.15 0.00 0.31 0.00 0.00 61.69 62.27 3i55 s THR 131 Cb 0.07 -3.27 0.33 0.00 0.01 0.00 0.00 72.50 69.64 3i55 s THR 131 CO -0.08 0.38 1.65 -0.07 -0.69 0.00 0.00 174.62 175.80 3i55 h LEU 132 N 7.46 0.46 -0.53 4.42 3.38 -1.64 0.87 115.31 129.73 3i55 h LEU 132 Ca -0.37 0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3i55 h LEU 132 Cb 1.17 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 3i55 h LEU 132 CO 0.64 -0.19 0.32 1.23 0.09 0.00 0.00 178.44 180.54 3i55 h GLY 133 N 0.26 0.75 0.68 0.83 0.00 -1.60 0.23 103.07 104.23 3i55 h GLY 133 Ca 0.75 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 3i55 h GLY 133 CO -0.64 0.21 -0.45 0.83 0.00 0.00 0.00 176.54 176.48 3i55 h GLU 134 N 0.64 -0.98 -0.75 4.80 5.08 0.43 -1.00 114.58 122.81 3i55 h GLU 134 Ca 0.21 0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.81 3i55 h GLU 134 Cb 0.01 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 29.37 3i55 h GLU 134 CO -0.09 -0.65 0.13 0.82 -1.00 0.00 0.00 179.01 178.22 3i55 h ILE 135 N -1.01 0.45 -0.80 3.13 2.04 -0.80 -0.37 117.51 120.14 3i55 h ILE 135 Ca -0.07 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3i55 h ILE 135 Cb 0.85 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3i55 h ILE 135 CO 0.01 0.04 0.45 0.28 0.00 0.00 0.00 178.15 178.93 3i55 h SER 136 N 0.21 0.99 0.26 1.72 0.02 -0.08 -0.34 113.55 116.32 3i55 h SER 136 Ca 0.42 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.22 3i55 h SER 136 Cb 0.74 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3i55 h SER 136 CO -0.56 0.79 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.26 3i55 h GLU 137 N 1.12 0.12 -0.16 3.45 5.08 0.24 -0.66 114.58 123.77 3i55 h GLU 137 Ca 0.29 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 3i55 h GLU 137 Cb 0.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i55 h GLU 137 CO -0.05 0.44 -0.13 1.15 -1.00 0.00 0.00 179.01 179.42 3i55 h THR 138 N 0.10 1.33 0.00 1.13 2.02 -0.34 -2.73 112.91 114.42 3i55 h THR 138 Ca 0.01 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3i55 h THR 138 Cb 0.64 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3i55 h THR 138 CO 0.05 0.37 0.00 0.18 0.37 0.00 0.00 175.52 176.49 3i55 n LEU 139 N -4.57 0.00 0.00 2.58 4.77 -0.23 -4.79 117.00 114.76 3i55 n LEU 139 Ca -0.06 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3i55 n LEU 139 Cb 0.34 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3i55 n LEU 139 CO 0.39 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3i55 n GLY 140 N -0.83 0.62 3.61 -0.72 0.00 -1.03 -5.06 105.19 101.78 3i55 n GLY 140 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3i55 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 n ALA 141 N -1.62 -0.58 -2.66 4.61 0.00 -0.28 -4.93 120.51 115.05 3i55 n ALA 141 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.71 3i55 n ALA 141 Cb 0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 3i55 n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i55 s ASN 142 N -1.94 6.72 -1.05 0.00 3.84 -1.26 -4.62 114.94 116.63 3i55 s ASN 142 Ca 0.70 0.88 -0.23 0.00 0.21 0.00 0.00 52.86 54.42 3i55 s ASN 142 Cb -0.30 -2.37 -0.04 0.00 -0.55 0.00 0.00 41.25 38.00 3i55 s ASN 142 CO 0.54 -0.32 1.86 -0.75 -2.79 0.00 0.00 177.10 175.63 3i55 s LYS 143 N 2.09 2.81 -0.35 0.43 2.20 -1.26 -4.76 119.74 120.90 3i55 s LYS 143 Ca 0.30 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 3i55 s LYS 143 Cb -0.16 -5.21 0.34 0.00 -1.51 0.00 0.00 37.83 31.29 3i55 s LYS 143 CO 0.10 -3.33 1.82 -2.37 -0.36 0.00 0.00 175.35 171.21 3i55 n THR 144 N 7.58 2.71 -1.38 3.43 5.66 -1.26 -5.21 114.28 125.81 3i55 n THR 144 Ca 0.42 -1.62 0.00 0.00 -3.05 0.00 0.00 64.05 59.80 3i55 n THR 144 Cb 0.47 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 3i55 n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35