#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8r s THR 2 N 0.00 2.03 -0.26 3.34 -1.32 -1.26 -4.79 115.64 113.37 1o8r s THR 2 Ca 0.00 -2.27 -0.18 0.00 -1.21 0.00 0.00 61.69 58.03 1o8r s THR 2 Cb 0.00 -2.26 -0.02 0.00 -1.51 0.00 0.00 72.50 68.71 1o8r s THR 2 CO 0.00 -0.44 0.54 -0.69 -2.21 0.00 0.00 174.62 171.81 1o8r s VAL 3 N -2.78 5.05 -0.11 5.08 1.01 -0.25 -2.07 120.40 126.33 1o8r s VAL 3 Ca 0.27 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 1o8r s VAL 3 Cb -0.01 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1o8r s VAL 3 CO 0.11 0.06 -0.07 -1.10 0.00 0.00 0.00 175.10 174.10 1o8r s GLN 4 N 2.36 3.17 -0.02 2.72 -0.21 -0.79 -1.95 119.66 124.93 1o8r s GLN 4 Ca 0.22 -0.56 0.17 0.00 0.02 0.00 0.00 55.36 55.21 1o8r s GLN 4 Cb -0.16 -2.71 0.52 0.00 1.00 0.00 0.00 33.01 31.67 1o8r s GLN 4 CO 0.09 0.45 1.44 -0.25 -2.12 0.00 0.00 175.29 174.90 1o8r n ASP 5 N 2.87 3.68 0.00 5.90 8.00 -1.26 -4.77 116.55 130.97 1o8r n ASP 5 Ca -0.18 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.22 1o8r n ASP 5 Cb 0.53 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o8r n GLY 6 N 1.06 -0.63 0.67 0.44 0.00 -1.26 -4.95 105.19 100.51 1o8r n GLY 6 Ca 0.20 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.48 1o8r n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o8r n ASN 7 N 0.00 1.94 -4.56 1.61 3.02 -1.26 -4.88 115.26 111.13 1o8r n ASN 7 Ca 0.00 -2.01 -0.27 0.00 -0.03 0.00 0.00 54.58 52.28 1o8r n ASN 7 Cb 0.00 -0.25 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1o8r s PHE 8 N -1.53 2.61 -0.24 3.10 0.08 -1.26 -5.11 117.98 115.63 1o8r s PHE 8 Ca 0.24 -0.23 -0.08 0.00 0.12 0.00 0.00 56.93 56.98 1o8r s PHE 8 Cb 0.13 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 1o8r s PHE 8 CO 0.16 0.52 0.08 -1.54 -0.10 0.00 0.00 175.22 174.34 1o8r s SER 9 N -2.87 5.30 -0.12 1.36 1.04 -1.26 -4.09 113.70 113.06 1o8r s SER 9 Ca 0.25 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.56 1o8r s SER 9 Cb -0.09 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1o8r s SER 9 CO 0.15 -0.00 -0.21 -0.36 0.98 0.00 0.00 173.24 173.79 1o8r s PHE 10 N 1.44 2.64 0.89 5.02 0.08 -0.82 -4.99 117.98 122.23 1o8r s PHE 10 Ca 0.06 -1.09 -0.12 0.00 0.12 0.00 0.00 56.93 55.90 1o8r s PHE 10 Cb -0.15 -1.77 0.12 0.00 -0.57 0.00 0.00 43.02 40.65 1o8r s PHE 10 CO 0.04 -0.46 1.09 -1.12 -0.10 0.00 0.00 175.22 174.68 1o8r s SER 11 N 0.53 3.56 0.00 1.36 0.01 -1.26 -1.08 113.70 116.82 1o8r s SER 11 Ca -0.13 1.41 0.23 0.00 1.31 0.00 0.00 55.95 58.77 1o8r s SER 11 Cb -0.17 -2.10 0.09 0.00 0.21 0.00 0.00 66.02 64.06 1o8r s SER 11 CO 0.05 -2.57 1.13 0.18 0.41 0.00 0.00 173.24 172.43 1o8r n LEU 12 N -3.83 1.02 0.00 2.44 4.32 -1.26 -4.37 117.00 115.31 1o8r n LEU 12 Ca 0.07 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 1o8r n LEU 12 Cb 0.56 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1o8r n LEU 12 CO 0.56 0.23 0.22 1.21 -1.22 0.00 0.00 177.39 178.39 1o8r n GLU 13 N -1.21 0.00 -0.29 3.23 2.13 -1.26 -1.66 120.64 121.59 1o8r n GLU 13 Ca 0.06 0.46 0.05 0.00 0.66 0.00 0.00 57.16 58.39 1o8r n GLU 13 Cb 0.35 -1.19 0.14 0.00 0.27 0.00 0.00 31.44 31.02 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1o8r h SER 14 N 0.00 -0.60 -0.29 4.31 0.02 -1.95 0.17 113.55 115.21 1o8r h SER 14 Ca 0.00 0.24 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1o8r h SER 14 Cb 0.00 0.46 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1o8r h SER 14 CO 0.00 -0.26 0.17 -0.37 -1.14 0.00 0.00 176.83 175.24 1o8r h VAL 15 N 0.03 1.04 0.29 2.27 -1.51 -1.76 1.39 116.25 117.99 1o8r h VAL 15 Ca 0.43 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 1o8r h VAL 15 Cb 0.72 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 1o8r h VAL 15 CO -0.80 0.06 -0.29 0.50 -1.23 0.00 0.00 177.57 175.81 1o8r h LYS 16 N 0.35 -0.58 -0.10 5.19 3.64 0.20 0.98 116.57 126.25 1o8r h LYS 16 Ca 0.11 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1o8r h LYS 16 Cb -0.01 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1o8r h LYS 16 CO -0.05 -0.39 0.00 1.17 -2.27 0.00 0.00 179.45 177.92 1o8r n LYS 17 N -5.41 1.04 -0.19 1.90 3.00 -0.20 -4.01 118.16 114.30 1o8r n LYS 17 Ca -0.09 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.31 58.14 1o8r n LYS 17 Cb 0.31 -1.06 0.08 0.00 0.00 0.00 0.00 35.03 34.36 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1o8r h LEU 18 N 0.09 0.39 -0.47 3.14 5.85 0.45 -2.31 115.31 122.45 1o8r h LEU 18 Ca 0.00 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1o8r h LEU 18 Cb 0.07 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1o8r h LEU 18 CO 0.00 0.25 0.22 0.50 -0.34 0.00 0.00 178.44 179.07 1o8r h LYS 19 N 0.53 0.42 -5.02 1.25 3.64 -1.73 -3.39 116.57 112.26 1o8r h LYS 19 Ca 0.26 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.98 1o8r h LYS 19 Cb 0.21 -0.09 -0.21 0.00 -0.41 0.00 0.00 32.23 31.72 1o8r h LYS 19 CO -0.20 0.28 -0.61 0.34 -2.27 0.00 0.00 179.45 176.98 1o8r s ASP 20 N -5.45 5.21 0.20 4.20 2.15 -0.87 -5.08 116.67 117.04 1o8r s ASP 20 Ca -0.13 -0.15 -0.30 0.00 0.43 0.00 0.00 52.55 52.40 1o8r s ASP 20 Cb 0.13 -1.93 -0.08 0.00 -0.30 0.00 0.00 42.92 40.75 1o8r s ASP 20 CO 0.73 0.01 1.00 -0.76 -0.17 0.00 0.00 175.17 175.98 1o8r s LEU 21 N 1.34 4.56 -0.25 -1.34 1.43 -1.26 -4.80 118.68 118.37 1o8r s LEU 21 Ca 0.05 1.99 -0.08 0.00 -1.03 0.00 0.00 54.13 55.06 1o8r s LEU 21 Cb -0.15 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1o8r s LEU 21 CO 0.03 -0.02 0.08 -1.58 0.23 0.00 0.00 176.35 175.09 1o8r s GLN 22 N -0.75 3.70 0.15 1.70 0.74 -1.26 -4.99 119.66 118.94 1o8r s GLN 22 Ca 0.45 -0.46 -0.23 0.00 0.05 0.00 0.00 55.36 55.17 1o8r s GLN 22 Cb -0.27 -3.35 0.03 0.00 1.10 0.00 0.00 33.01 30.52 1o8r s GLN 22 CO 0.33 -0.17 1.62 0.93 -0.55 0.00 0.00 175.29 177.45 1o8r h GLU 23 N 8.19 -0.27 -7.04 1.67 3.07 -2.03 -3.42 114.58 114.76 1o8r h GLU 23 Ca -0.38 0.02 -0.56 0.00 -0.50 0.00 0.00 59.36 57.94 1o8r h GLU 23 Cb 1.18 0.06 0.16 0.00 -0.84 0.00 0.00 28.75 29.31 1o8r h GLU 23 CO 0.58 -0.18 0.38 -2.30 -1.40 0.00 0.00 179.01 176.09 1o8r n PRO 24 N -5.40 0.95 -1.26 2.33 -0.01 -1.26 -4.86 135.00 125.50 1o8r n PRO 24 Ca -0.01 0.38 -0.23 0.00 -0.01 0.00 0.00 63.50 63.63 1o8r n PRO 24 Cb 0.31 -2.42 -0.10 0.00 -0.01 0.00 0.00 33.50 31.28 1o8r n PRO 24 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 1o8r n GLN 25 N -1.80 2.69 -3.26 -0.52 6.02 -1.26 -4.72 117.38 114.53 1o8r n GLN 25 Ca 0.15 -1.75 -0.10 0.00 -0.01 0.00 0.00 57.00 55.29 1o8r n GLN 25 Cb 0.48 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1o8r n GLN 25 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1o8r n GLU 26 N 2.33 -1.56 -1.75 -1.09 1.02 -1.26 -4.90 120.64 113.42 1o8r n GLU 26 Ca 0.54 1.38 -0.36 0.00 -0.02 0.00 0.00 57.16 58.70 1o8r n GLU 26 Cb 0.64 -4.59 0.06 0.00 -0.02 0.00 0.00 31.44 27.53 1o8r n GLU 26 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1o8r s PRO 27 N -3.43 2.59 0.54 3.49 0.02 -1.26 -4.76 135.00 132.18 1o8r s PRO 27 Ca 0.06 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1o8r s PRO 27 Cb -0.01 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1o8r s PRO 27 CO 0.80 -1.53 0.00 0.54 -0.33 0.00 0.00 177.00 176.48 1o8r n ARG 28 N -2.01 -0.04 -5.26 5.54 1.74 -1.26 -4.72 116.66 110.64 1o8r n ARG 28 Ca 0.14 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.94 1o8r n ARG 28 Cb 0.49 -0.05 -0.16 0.00 -1.02 0.00 0.00 32.46 31.72 1o8r n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1o8r s VAL 29 N -0.07 2.08 -0.74 1.55 0.11 -1.26 -5.08 120.40 117.00 1o8r s VAL 29 Ca 0.00 -1.06 -0.17 0.00 -2.93 0.00 0.00 61.98 57.82 1o8r s VAL 29 Cb 0.00 -1.75 0.15 0.00 -1.53 0.00 0.00 36.38 33.26 1o8r s VAL 29 CO 0.00 0.57 0.78 -0.83 -3.33 0.00 0.00 175.10 172.29 1o8r s GLY 30 N -0.23 2.16 0.48 6.54 0.00 -1.26 -4.88 107.32 110.12 1o8r s GLY 30 Ca -0.01 -2.77 0.13 0.00 0.00 0.00 0.00 44.72 42.07 1o8r s GLY 30 CO 0.03 1.50 2.09 0.50 0.00 0.00 0.00 173.10 177.22 1o8r h LYS 31 N 8.58 0.14 -5.87 2.90 1.57 -2.01 -3.41 116.57 118.47 1o8r h LYS 31 Ca -0.06 -0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.10 1o8r h LYS 31 Cb 1.06 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.27 1o8r h LYS 31 CO 0.97 0.14 -0.22 -0.51 -0.57 0.00 0.00 179.45 179.25 1o8r s LEU 32 N -9.09 4.40 -0.30 2.94 1.43 -1.26 -5.06 118.68 111.75 1o8r s LEU 32 Ca -0.06 0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 1o8r s LEU 32 Cb 0.17 -2.55 0.10 0.00 0.03 0.00 0.00 46.19 43.94 1o8r s LEU 32 CO 0.69 0.24 0.14 -0.13 0.23 0.00 0.00 176.35 177.52 1o8r s ARG 33 N -0.54 0.23 0.30 1.70 0.52 -1.26 -5.09 118.95 114.81 1o8r s ARG 33 Ca 0.23 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1o8r s ARG 33 Cb -0.16 -1.19 -0.03 0.00 0.52 0.00 0.00 34.95 34.09 1o8r s ARG 33 CO 0.11 -1.03 0.23 -0.80 0.02 0.00 0.00 175.30 173.82 1o8r s ASN 34 N 2.01 1.40 -0.87 0.23 0.01 -1.25 -4.27 114.94 112.20 1o8r s ASN 34 Ca 0.10 -1.66 -0.03 0.00 -0.71 0.00 0.00 52.86 50.56 1o8r s ASN 34 Cb -0.17 0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 1o8r s ASN 34 CO -0.34 -0.99 0.78 0.33 -1.51 0.00 0.00 177.10 175.38 1o8r n PHE 35 N -0.56 -2.58 -1.91 2.20 7.35 -1.13 -4.82 117.46 116.01 1o8r n PHE 35 Ca 0.05 0.94 -0.29 0.00 -0.76 0.00 0.00 57.45 57.39 1o8r n PHE 35 Cb 0.63 -4.03 0.11 0.00 0.35 0.00 0.00 39.48 36.54 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1o8r s ALA 36 N -3.20 2.58 -1.30 3.13 0.00 -1.26 -4.87 121.76 116.84 1o8r s ALA 36 Ca 0.24 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.51 1o8r s ALA 36 Cb -0.03 -2.92 0.27 0.00 0.00 0.00 0.00 23.12 20.44 1o8r s ALA 36 CO 0.71 -1.81 1.07 -0.35 0.00 0.00 0.00 175.76 175.38 1o8r n PRO 37 N -3.39 0.06 -1.14 0.00 -0.05 -1.26 -4.88 135.00 124.34 1o8r n PRO 37 Ca 0.09 0.28 0.00 0.00 -0.05 0.00 0.00 63.50 63.83 1o8r n PRO 37 Cb 0.61 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.56 1o8r n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1o8r n ILE 38 N -1.35 -4.05 -0.59 0.52 -0.00 -1.26 -4.88 119.36 107.75 1o8r n ILE 38 Ca 0.02 1.69 -0.29 0.00 -0.00 0.00 0.00 62.75 64.17 1o8r n ILE 38 Cb 0.05 -2.40 0.22 0.00 -0.00 0.00 0.00 39.64 37.52 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1o8r s PRO 39 N -3.97 -0.24 0.00 0.38 0.04 -1.26 -4.15 135.00 125.79 1o8r s PRO 39 Ca 0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1o8r s PRO 39 Cb 0.00 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1o8r s PRO 39 CO 0.00 -3.35 0.00 0.41 0.04 0.00 0.00 177.00 174.10 1o8r n GLY 40 N 0.61 0.58 2.44 0.56 0.00 -1.26 -5.01 105.19 103.11 1o8r n GLY 40 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1o8r n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8r n GLU 41 N -1.55 1.08 -1.85 1.61 1.02 -1.26 -5.10 120.64 114.59 1o8r n GLU 41 Ca 0.00 -3.72 -0.40 0.00 -0.02 0.00 0.00 57.16 53.03 1o8r n GLU 41 Cb 0.00 -1.77 0.01 0.00 -0.02 0.00 0.00 31.44 29.67 1o8r n GLU 41 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 42 N -1.04 3.69 -0.63 3.49 0.05 -1.26 -4.87 135.00 134.43 1o8r s PRO 42 Ca 0.33 2.35 0.01 0.00 0.05 0.00 0.00 61.00 63.75 1o8r s PRO 42 Cb 0.08 -2.64 0.40 0.00 0.05 0.00 0.00 34.50 32.38 1o8r s PRO 42 CO -0.14 -0.79 1.61 1.33 0.05 0.00 0.00 177.00 179.07 1o8r n VAL 43 N -0.20 3.05 -2.69 -0.36 0.24 -1.26 -4.61 118.33 112.49 1o8r n VAL 43 Ca 0.05 -4.39 -0.07 0.00 -2.04 0.00 0.00 64.34 57.90 1o8r n VAL 43 Cb 0.42 -1.23 0.09 0.00 -1.47 0.00 0.00 33.84 31.65 1o8r n VAL 43 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1o8r n VAL 44 N -0.57 0.42 0.15 3.34 0.31 -1.26 -2.43 118.33 118.29 1o8r n VAL 44 Ca 0.48 -2.07 -0.06 0.00 -0.01 0.00 0.00 64.34 62.69 1o8r n VAL 44 Cb 0.50 0.91 -0.03 0.00 -0.91 0.00 0.00 33.84 34.32 1o8r n VAL 44 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1o8r h PRO 45 N 2.27 -0.36 0.00 5.55 0.13 -1.95 -3.44 132.00 134.21 1o8r h PRO 45 Ca -0.23 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1o8r h PRO 45 Cb 1.26 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1o8r h PRO 45 CO 0.13 -0.24 0.00 -0.89 -0.23 0.00 0.00 178.00 176.77 1o8r n ILE 46 N -3.03 0.00 -3.44 -3.56 5.41 -1.26 -5.00 119.36 108.49 1o8r n ILE 46 Ca -0.05 0.40 -0.21 0.00 1.00 0.00 0.00 62.75 63.90 1o8r n ILE 46 Cb 0.15 -1.40 -0.11 0.00 -0.71 0.00 0.00 39.64 37.57 1o8r n ILE 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1o8r s LEU 47 N -4.87 0.04 -0.09 1.39 2.96 -1.26 -5.03 118.68 111.83 1o8r s LEU 47 Ca 0.00 -1.04 -0.06 0.00 -0.22 0.00 0.00 54.13 52.81 1o8r s LEU 47 Cb 0.00 0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.95 1o8r s LEU 47 CO 0.00 -0.39 0.12 0.00 -1.32 0.00 0.00 176.35 174.76 1o8r n SER 49 N 2.13 0.00 -4.61 0.00 2.88 -1.02 -4.54 113.62 108.46 1o8r n SER 49 Ca -0.20 0.70 -0.43 0.00 -1.33 0.00 0.00 58.87 57.61 1o8r n SER 49 Cb 0.31 -0.35 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 1o8r n SER 49 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1o8r s ASN 50 N -2.12 6.62 0.00 -3.46 -0.87 -1.26 -4.85 114.94 109.00 1o8r s ASN 50 Ca 0.00 0.82 0.08 0.00 -1.57 0.00 0.00 52.86 52.19 1o8r s ASN 50 Cb 0.00 -2.54 0.35 0.00 -0.02 0.00 0.00 41.25 39.03 1o8r s ASN 50 CO 0.00 -1.19 1.23 -0.81 -2.57 0.00 0.00 177.10 173.75 1o8r n PRO 51 N 7.61 0.02 -0.47 -0.60 -0.05 -1.26 -1.77 135.00 138.48 1o8r n PRO 51 Ca 0.14 0.34 0.06 0.00 -0.05 0.00 0.00 63.50 63.99 1o8r n PRO 51 Cb 0.48 -1.50 0.19 0.00 -0.05 0.00 0.00 33.50 32.62 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1o8r n ASN 52 N -1.46 1.99 -4.45 3.54 3.02 -1.26 -4.99 115.26 111.65 1o8r n ASN 52 Ca 0.02 -3.66 -0.29 0.00 -0.03 0.00 0.00 54.58 50.61 1o8r n ASN 52 Cb 0.09 -0.51 0.15 0.00 -0.61 0.00 0.00 39.78 38.89 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1o8r s PHE 53 N -3.14 2.15 -0.57 3.10 -0.71 -0.73 -4.80 117.98 113.29 1o8r s PHE 53 Ca 0.37 0.49 -0.24 0.00 -1.04 0.00 0.00 56.93 56.51 1o8r s PHE 53 Cb 0.35 -3.87 -0.25 0.00 -1.21 0.00 0.00 43.02 38.05 1o8r s PHE 53 CO -0.04 -2.29 1.74 -2.30 -1.34 0.00 0.00 175.22 170.99 1o8r n PRO 54 N -3.58 0.05 -0.34 1.99 -0.01 -1.26 -4.64 135.00 127.20 1o8r n PRO 54 Ca 0.12 -1.21 0.34 0.00 -0.01 0.00 0.00 63.50 62.74 1o8r n PRO 54 Cb 0.60 -3.02 0.52 0.00 -0.01 0.00 0.00 33.50 31.59 1o8r n PRO 54 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 1o8r n GLU 55 N 7.45 0.01 0.30 -0.52 0.28 -1.26 0.24 120.64 127.14 1o8r n GLU 55 Ca 0.36 1.01 0.14 0.00 -0.16 0.00 0.00 57.16 58.51 1o8r n GLU 55 Cb 0.44 -2.46 0.72 0.00 1.43 0.00 0.00 31.44 31.58 1o8r n GLU 55 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1o8r h GLU 56 N 0.00 0.00 -0.31 3.44 4.57 -1.97 1.97 114.58 122.28 1o8r h GLU 56 Ca 0.60 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.78 1o8r h GLU 56 Cb 3.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.68 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.10 1o8r n LEU 57 N -2.73 2.03 -0.36 1.64 4.77 0.65 -4.45 117.00 118.55 1o8r n LEU 57 Ca -0.02 -0.95 0.03 0.00 -0.03 0.00 0.00 56.01 55.04 1o8r n LEU 57 Cb 0.37 -0.21 0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1o8r n LEU 57 CO 0.12 0.48 0.62 0.29 -1.33 0.00 0.00 177.39 177.56 1o8r n LYS 58 N 0.59 -0.15 -0.27 3.23 5.02 0.67 0.11 118.16 127.36 1o8r n LYS 58 Ca 0.15 1.53 0.02 0.00 -2.02 0.00 0.00 58.31 57.99 1o8r n LYS 58 Cb 0.35 -2.28 0.15 0.00 -0.02 0.00 0.00 35.03 33.23 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1o8r h PRO 59 N 0.00 0.68 -0.72 1.97 0.10 -1.81 -0.33 132.00 131.89 1o8r h PRO 59 Ca 0.42 -0.04 0.04 0.00 0.10 0.00 0.00 66.00 66.51 1o8r h PRO 59 Cb 0.67 -0.15 -0.04 0.00 0.10 0.00 0.00 31.00 31.57 1o8r h PRO 59 CO -1.00 0.45 0.47 -0.07 0.10 0.00 0.00 178.00 177.95 1o8r h LEU 60 N 0.70 0.74 -1.62 2.35 3.38 0.48 -0.38 115.31 120.96 1o8r h LEU 60 Ca 0.37 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1o8r h LEU 60 Cb 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1o8r h LEU 60 CO -0.25 0.51 -0.20 0.00 0.09 0.00 0.00 178.44 178.58 1o8r n LYS 62 N -3.80 1.90 -4.73 0.00 5.02 -0.18 -4.72 118.16 111.64 1o8r n LYS 62 Ca -0.02 -1.35 -0.30 0.00 -2.02 0.00 0.00 58.31 54.62 1o8r n LYS 62 Cb 0.30 -1.43 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1o8r s GLU 63 N -1.77 1.76 0.50 1.97 -1.05 -0.81 -5.00 118.70 114.30 1o8r s GLU 63 Ca 0.34 -1.14 0.34 0.00 -0.15 0.00 0.00 54.97 54.36 1o8r s GLU 63 Cb 0.19 -2.01 1.74 0.00 -0.44 0.00 0.00 34.13 33.62 1o8r s GLU 63 CO 0.28 0.50 2.03 -1.35 0.95 0.00 0.00 175.26 177.68 1o8r h PRO 64 N 4.51 0.00 0.00 -4.83 0.11 -1.90 -1.51 132.00 128.38 1o8r h PRO 64 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1o8r h PRO 64 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1o8r h PRO 64 CO 0.43 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.31 1o8r n ASN 65 N -2.74 0.62 -0.31 -2.05 5.03 -1.26 -3.78 115.26 110.77 1o8r n ASN 65 Ca -0.01 0.56 0.14 0.00 0.87 0.00 0.00 54.58 56.14 1o8r n ASN 65 Cb 0.11 -0.73 0.33 0.00 -1.02 0.00 0.00 39.78 38.47 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1o8r h ALA 66 N 2.63 1.50 -1.01 5.41 0.00 -1.34 0.48 119.26 126.92 1o8r h ALA 66 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1o8r h ALA 66 Cb 0.67 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1o8r h ALA 66 CO 0.00 -0.36 0.67 1.96 0.00 0.00 0.00 179.25 181.52 1o8r h GLN 67 N 0.40 1.31 0.17 0.00 4.20 -1.81 0.18 115.11 119.56 1o8r h GLN 67 Ca 0.58 -0.08 -0.30 0.00 0.06 0.00 0.00 58.65 58.91 1o8r h GLN 67 Cb 1.13 -0.30 0.02 0.00 0.30 0.00 0.00 27.48 28.63 1o8r h GLN 67 CO -0.54 0.87 -1.33 1.49 -0.67 0.00 0.00 178.83 178.65 1o8r h GLU 68 N 1.35 0.36 -0.34 1.46 4.81 -0.73 -3.27 114.58 118.22 1o8r h GLU 68 Ca 0.38 -0.62 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 1o8r h GLU 68 Cb -0.13 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1o8r h GLU 68 CO -0.09 1.29 -0.00 0.82 -0.73 0.00 0.00 179.01 180.31 1o8r h ILE 69 N 0.10 1.26 -0.08 2.32 2.04 0.09 -3.05 117.51 120.19 1o8r h ILE 69 Ca -0.18 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.75 1o8r h ILE 69 Cb 2.04 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 39.28 1o8r h ILE 69 CO 0.23 0.32 -0.39 0.25 0.00 0.00 0.00 178.15 178.55 1o8r h LEU 70 N 0.40 -1.21 -0.43 1.44 7.12 -0.75 -1.21 115.31 120.67 1o8r h LEU 70 Ca 0.10 0.16 0.08 0.00 0.13 0.00 0.00 57.88 58.35 1o8r h LEU 70 Cb 0.45 0.49 -0.09 0.00 -0.53 0.00 0.00 40.66 40.97 1o8r h LEU 70 CO 0.02 -0.42 -0.34 1.56 -0.13 0.00 0.00 178.44 179.13 1o8r h GLN 71 N -0.50 -0.24 -0.15 1.25 4.20 -1.60 -1.00 115.11 117.07 1o8r h GLN 71 Ca 0.07 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1o8r h GLN 71 Cb 0.62 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 1o8r h GLN 71 CO -0.35 -0.16 -0.31 0.00 -0.67 0.00 0.00 178.83 177.34 1o8r h ARG 72 N -0.25 -0.36 -0.49 1.46 3.08 -1.28 -1.38 114.38 115.15 1o8r h ARG 72 Ca 0.18 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.35 1o8r h ARG 72 Cb 0.54 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.59 1o8r h ARG 72 CO -0.56 -0.24 -0.08 -0.07 -1.07 0.00 0.00 179.97 177.95 1o8r h LEU 73 N -0.37 -0.38 -0.29 3.04 3.38 -0.28 -1.47 115.31 118.94 1o8r h LEU 73 Ca 0.10 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1o8r h LEU 73 Cb 0.53 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1o8r h LEU 73 CO -0.36 -0.14 -0.01 -0.33 0.09 0.00 0.00 178.44 177.70 1o8r h GLU 74 N 0.03 0.07 0.30 1.13 5.08 -0.35 0.26 114.58 121.10 1o8r h GLU 74 Ca 0.24 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1o8r h GLU 74 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1o8r h GLU 74 CO -0.48 0.05 -0.25 1.49 -1.00 0.00 0.00 179.01 178.81 1o8r h GLU 75 N 0.07 -0.55 -0.69 2.33 4.81 -0.32 -1.96 114.58 118.27 1o8r h GLU 75 Ca 0.14 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1o8r h GLU 75 Cb 0.19 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1o8r h GLU 75 CO -0.24 -0.37 0.43 0.82 -0.73 0.00 0.00 179.01 178.92 1o8r h ILE 76 N -0.57 1.19 -0.40 2.32 1.08 -1.07 -1.03 117.51 119.03 1o8r h ILE 76 Ca -0.02 -0.41 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 1o8r h ILE 76 Cb 0.51 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1o8r h ILE 76 CO -0.02 0.20 0.27 0.00 -0.69 0.00 0.00 178.15 177.90 1o8r h ALA 77 N 1.52 2.02 -0.75 1.87 0.00 0.06 -1.30 119.26 122.68 1o8r h ALA 77 Ca 0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1o8r h ALA 77 Cb -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1o8r h ALA 77 CO -0.05 -0.10 0.26 1.49 0.00 0.00 0.00 179.25 180.85 1o8r h GLU 78 N 0.28 1.15 -3.29 0.00 4.81 -0.45 -3.32 114.58 113.75 1o8r h GLU 78 Ca 0.18 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1o8r h GLU 78 Cb 0.35 -0.17 -0.16 0.00 0.63 0.00 0.00 28.75 29.40 1o8r h GLU 78 CO -0.04 0.96 -0.18 0.34 -0.73 0.00 0.00 179.01 179.36 1o8r s ASP 79 N -6.36 -0.17 0.03 1.04 -1.08 -0.49 -2.85 116.67 106.78 1o8r s ASP 79 Ca -0.12 -0.21 -0.15 0.00 -0.52 0.00 0.00 52.55 51.55 1o8r s ASP 79 Cb 0.15 0.40 -0.08 0.00 -1.46 0.00 0.00 42.92 41.93 1o8r s ASP 79 CO 0.84 -0.69 1.23 1.55 0.52 0.00 0.00 175.17 178.62 1o8r h PRO 80 N 2.94 -0.51 0.00 4.34 0.13 -1.83 -3.41 132.00 133.66 1o8r h PRO 80 Ca -0.32 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1o8r h PRO 80 Cb 1.21 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1o8r h PRO 80 CO 0.46 -0.34 0.00 0.41 -0.23 0.00 0.00 178.00 178.31 1o8r n GLY 81 N -1.27 0.25 0.23 1.56 0.00 -1.26 -3.49 105.19 101.21 1o8r n GLY 81 Ca -0.07 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.04 1o8r n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1o8r h THR 82 N 0.00 0.00 0.05 2.61 1.35 -1.96 -3.28 112.91 111.68 1o8r h THR 82 Ca 0.00 -0.85 0.01 0.00 -0.55 0.00 0.00 66.41 65.02 1o8r h THR 82 Cb 0.00 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1o8r h THR 82 CO 0.00 0.00 -0.07 0.00 -0.25 0.00 0.00 175.52 175.20 1o8r h GLU 84 N -0.14 0.02 -0.59 0.00 4.81 -1.71 0.34 114.58 117.31 1o8r h GLU 84 Ca 0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1o8r h GLU 84 Cb 0.15 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1o8r h GLU 84 CO -0.04 0.01 0.00 0.44 -0.73 0.00 0.00 179.01 178.70 1o8r n ILE 85 N -4.33 1.26 -1.39 2.32 -5.35 -0.65 -4.92 119.36 106.30 1o8r n ILE 85 Ca 0.14 -1.09 -0.14 0.00 -0.27 0.00 0.00 62.75 61.39 1o8r n ILE 85 Cb 0.77 0.38 -0.06 0.00 -1.74 0.00 0.00 39.64 38.98 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r n ALA 87 N 1.08 1.69 -2.30 0.00 0.00 0.67 -4.77 120.51 116.89 1o8r n ALA 87 Ca -0.14 0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 1o8r n ALA 87 Cb 0.58 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 1o8r n ALA 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1o8r s TYR 88 N -3.30 1.45 -1.98 0.00 5.04 -1.23 -4.99 117.35 112.35 1o8r s TYR 88 Ca 0.05 -0.96 0.20 0.00 -2.44 0.00 0.00 57.07 53.92 1o8r s TYR 88 Cb 0.09 -0.83 1.16 0.00 0.35 0.00 0.00 41.96 42.73 1o8r s TYR 88 CO 0.40 -0.10 1.56 0.00 -1.34 0.00 0.00 175.55 176.07 1o8r n ALA 89 N -0.36 2.22 -0.19 3.97 0.00 -1.26 -3.24 120.51 121.64 1o8r n ALA 89 Ca -0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1o8r n ALA 89 Cb 0.64 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.78 1o8r n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o8r h ALA 90 N 3.21 0.73 -2.31 0.00 0.00 -1.92 -3.40 119.26 115.56 1o8r h ALA 90 Ca 0.00 -0.26 -0.66 0.00 0.00 0.00 0.00 54.91 53.99 1o8r h ALA 90 Cb 0.01 -0.20 -0.16 0.00 0.00 0.00 0.00 17.79 17.44 1o8r h ALA 90 CO 0.00 0.50 0.01 0.00 0.00 0.00 0.00 179.25 179.76 1o8r n THR 92 N 5.62 0.42 -0.02 0.00 -1.04 -0.88 -4.58 114.28 113.81 1o8r n THR 92 Ca -0.04 -0.71 -0.12 0.00 -2.04 0.00 0.00 64.05 61.15 1o8r n THR 92 Cb 0.48 0.92 -0.10 0.00 -1.82 0.00 0.00 70.33 69.82 1o8r n THR 92 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1o8r h GLY 93 N 2.08 -0.07 0.00 3.41 0.00 -1.87 -3.46 103.07 103.17 1o8r h GLY 93 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1o8r h GLY 93 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.51