#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpp s GLU 8 N 0.00 1.80 0.37 0.00 -1.05 -1.26 -5.03 118.70 113.54 1xpp s GLU 8 Ca 0.00 0.77 -0.26 0.00 -0.15 0.00 0.00 54.97 55.34 1xpp s GLU 8 Cb 0.00 -1.88 -0.09 0.00 -0.44 0.00 0.00 34.13 31.73 1xpp s GLU 8 CO 0.00 -1.85 1.11 -1.12 0.95 0.00 0.00 175.26 174.35 1xpp s SER 9 N -3.66 6.78 0.35 0.83 0.01 -1.26 -4.72 113.70 112.03 1xpp s SER 9 Ca 0.62 2.21 -0.06 0.00 1.31 0.00 0.00 55.95 60.03 1xpp s SER 9 Cb -0.16 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.48 1xpp s SER 9 CO 0.55 -0.48 0.55 -0.94 0.41 0.00 0.00 173.24 173.33 1xpp s SER 10 N -1.24 0.65 0.15 2.44 1.04 -0.06 -5.02 113.70 111.67 1xpp s SER 10 Ca 0.54 -1.38 -0.21 0.00 0.48 0.00 0.00 55.95 55.39 1xpp s SER 10 Cb -0.28 0.70 0.06 0.00 0.10 0.00 0.00 66.02 66.60 1xpp s SER 10 CO 0.35 -1.38 0.54 -1.48 0.98 0.00 0.00 173.24 172.26 1xpp s LEU 11 N -3.19 -0.29 -0.25 2.42 0.05 -1.26 -0.40 118.68 115.76 1xpp s LEU 11 Ca 0.27 -0.08 -0.14 0.00 0.05 0.00 0.00 54.13 54.22 1xpp s LEU 11 Cb -0.01 2.38 0.08 0.00 -2.05 0.00 0.00 46.19 46.58 1xpp s LEU 11 CO 0.18 -0.93 0.62 -0.60 -0.55 0.00 0.00 176.35 175.07 1xpp s ARG 12 N -3.74 0.64 0.22 1.48 6.06 -0.65 -4.98 118.95 117.98 1xpp s ARG 12 Ca 0.01 1.13 -0.31 0.00 -2.50 0.00 0.00 55.73 54.06 1xpp s ARG 12 Cb -0.00 0.10 -0.11 0.00 0.06 0.00 0.00 34.95 35.00 1xpp s ARG 12 CO -0.12 -0.15 1.58 0.08 -2.50 0.00 0.00 175.30 174.18 1xpp s VAL 13 N 1.58 2.38 -0.18 7.11 1.01 -1.26 0.22 120.40 131.26 1xpp s VAL 13 Ca -0.10 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1xpp s VAL 13 Cb -0.06 -3.19 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1xpp s VAL 13 CO -0.18 0.03 -0.17 -0.38 0.00 0.00 0.00 175.10 174.40 1xpp n ILE 14 N 3.23 1.02 -3.67 2.22 2.08 0.58 -4.86 119.36 119.95 1xpp n ILE 14 Ca 0.12 -0.37 -0.12 0.00 0.56 0.00 0.00 62.75 62.94 1xpp n ILE 14 Cb 0.38 -1.20 -0.06 0.00 -0.75 0.00 0.00 39.64 38.01 1xpp n ILE 14 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1xpp s SER 15 N -5.83 -0.23 -0.13 4.38 1.04 -1.10 -5.02 113.70 106.81 1xpp s SER 15 Ca -0.24 -0.16 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 1xpp s SER 15 Cb 0.07 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1xpp s SER 15 CO 0.40 -0.73 0.27 -0.75 0.98 0.00 0.00 173.24 173.41 1xpp s LYS 16 N -3.03 0.18 -0.03 4.02 2.47 -1.26 -0.75 119.74 121.34 1xpp s LYS 16 Ca -0.02 0.73 -0.10 0.00 -1.56 0.00 0.00 55.97 55.02 1xpp s LYS 16 Cb 0.00 -0.03 0.01 0.00 -1.46 0.00 0.00 37.83 36.36 1xpp s LYS 16 CO -0.06 -0.25 0.22 -1.21 0.16 0.00 0.00 175.35 174.20 1xpp s GLU 17 N 2.16 0.49 0.00 4.03 2.02 -0.67 -5.02 118.70 121.71 1xpp s GLU 17 Ca -0.02 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1xpp s GLU 17 Cb -0.12 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.33 1xpp s GLU 17 CO -0.09 -0.12 0.00 1.63 0.02 0.00 0.00 175.26 176.71 1xpp n LYS 18 N 1.78 0.00 -1.53 1.61 5.02 -1.26 0.82 118.16 124.61 1xpp n LYS 18 Ca -0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.97 1xpp n LYS 18 Cb 0.56 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.66 1xpp n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xpp n ASN 19 N 0.00 3.66 -3.89 4.39 5.03 -1.26 -4.95 115.26 118.24 1xpp n ASN 19 Ca 0.00 -3.75 -0.10 0.00 0.87 0.00 0.00 54.58 51.60 1xpp n ASN 19 Cb 0.00 -0.41 -0.09 0.00 -1.02 0.00 0.00 39.78 38.26 1xpp n ASN 19 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1xpp s SER 20 N -3.46 0.10 0.02 6.41 1.04 0.24 -1.23 113.70 116.82 1xpp s SER 20 Ca 0.46 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 1xpp s SER 20 Cb 0.39 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1xpp s SER 20 CO -0.00 -0.52 0.16 -0.51 0.98 0.00 0.00 173.24 173.34 1xpp s ILE 21 N -2.49 0.10 -0.09 -1.02 2.07 -0.47 -1.67 121.20 117.62 1xpp s ILE 21 Ca -0.06 -0.81 0.01 0.00 -1.41 0.00 0.00 60.65 58.38 1xpp s ILE 21 Cb -0.02 -0.66 0.02 0.00 0.13 0.00 0.00 42.46 41.93 1xpp s ILE 21 CO -0.04 -0.45 -0.09 -0.89 -1.91 0.00 0.00 174.94 171.56 1xpp s THR 22 N -1.93 1.04 -0.07 4.00 2.01 0.07 -1.36 115.64 119.40 1xpp s THR 22 Ca -0.10 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1xpp s THR 22 Cb -0.05 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.47 1xpp s THR 22 CO -0.01 0.35 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.47 1xpp s VAL 23 N 1.20 1.10 -0.07 3.82 1.01 0.40 -0.31 120.40 127.55 1xpp s VAL 23 Ca -0.05 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1xpp s VAL 23 Cb -0.14 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1xpp s VAL 23 CO -0.02 0.35 1.01 -0.70 0.00 0.00 0.00 175.10 175.74 1xpp s GLU 24 N 0.84 4.46 -0.30 2.72 2.12 0.13 -0.26 118.70 128.41 1xpp s GLU 24 Ca -0.11 1.41 -0.08 0.00 0.36 0.00 0.00 54.97 56.55 1xpp s GLU 24 Cb -0.15 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.73 1xpp s GLU 24 CO 0.02 -0.24 0.11 -1.64 -0.54 0.00 0.00 175.26 172.96 1xpp s MET 25 N 1.71 3.15 -0.21 4.30 -1.94 0.20 -1.63 119.30 124.88 1xpp s MET 25 Ca 0.50 -0.83 -0.05 0.00 -1.71 0.00 0.00 55.69 53.60 1xpp s MET 25 Cb -0.19 -3.44 -0.02 0.00 2.01 0.00 0.00 34.83 33.18 1xpp s MET 25 CO 0.21 -0.45 -0.01 0.42 -0.01 0.00 0.00 175.02 175.18 1xpp s ILE 26 N 1.53 3.79 -1.29 2.53 1.01 0.46 -3.82 121.20 125.41 1xpp s ILE 26 Ca 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 1xpp s ILE 26 Cb -0.17 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1xpp s ILE 26 CO 0.04 0.42 1.07 0.59 0.00 0.00 0.00 174.94 177.06 1xpp n ASN 27 N 4.43 -6.10 -4.90 3.58 5.03 -1.26 -0.88 115.26 115.15 1xpp n ASN 27 Ca -0.17 -0.48 -0.32 0.00 0.87 0.00 0.00 54.58 54.47 1xpp n ASN 27 Cb 0.52 -4.74 -0.05 0.00 -1.02 0.00 0.00 39.78 34.49 1xpp n ASN 27 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1xpp s TYR 28 N -3.29 3.51 0.22 3.10 1.51 -1.26 -4.18 117.35 116.95 1xpp s TYR 28 Ca 0.53 0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 56.57 1xpp s TYR 28 Cb -0.23 -1.78 -0.09 0.00 -0.11 0.00 0.00 41.96 39.75 1xpp s TYR 28 CO 0.65 0.61 1.33 0.34 -1.11 0.00 0.00 175.55 177.37 1xpp s ASP 29 N -2.27 6.85 0.39 2.29 2.15 -1.26 -4.92 116.67 119.89 1xpp s ASP 29 Ca 0.32 2.46 0.06 0.00 0.43 0.00 0.00 52.55 55.82 1xpp s ASP 29 Cb -0.13 -2.61 0.78 0.00 -0.30 0.00 0.00 42.92 40.65 1xpp s ASP 29 CO 0.24 -0.55 2.00 0.78 -0.17 0.00 0.00 175.17 177.46 1xpp h ASN 30 N 5.19 0.47 -0.62 -0.34 2.35 -1.99 -1.32 115.58 119.31 1xpp h ASN 30 Ca -0.45 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1xpp h ASN 30 Cb 1.22 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 1xpp h ASN 30 CO 0.77 0.41 0.39 0.74 -1.65 0.00 0.00 177.43 178.09 1xpp h THR 31 N 0.53 1.17 -0.42 2.81 2.02 -1.99 -1.10 112.91 115.93 1xpp h THR 31 Ca 0.13 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.00 1xpp h THR 31 Cb 0.08 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1xpp h THR 31 CO -0.02 0.17 0.17 0.25 0.37 0.00 0.00 175.52 176.46 1xpp h LEU 32 N 0.84 0.21 -1.27 2.58 6.46 -1.66 -1.09 115.31 121.37 1xpp h LEU 32 Ca 0.22 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 1xpp h LEU 32 Cb -0.06 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1xpp h LEU 32 CO -0.04 0.16 0.09 -0.07 -0.62 0.00 0.00 178.44 177.95 1xpp h LEU 33 N 0.35 0.54 -0.18 2.25 3.38 -0.82 -1.17 115.31 119.65 1xpp h LEU 33 Ca 0.19 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1xpp h LEU 33 Cb 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xpp h LEU 33 CO -0.17 0.55 -0.38 -0.09 0.09 0.00 0.00 178.44 178.44 1xpp h ARG 34 N 0.58 0.58 -0.49 1.13 2.43 -0.87 -2.65 114.38 115.09 1xpp h ARG 34 Ca 0.13 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1xpp h ARG 34 Cb 0.24 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1xpp h ARG 34 CO -0.00 1.00 0.19 1.79 -1.51 0.00 0.00 179.97 181.44 1xpp h THR 35 N 0.25 1.19 0.13 0.20 1.35 -0.96 -1.09 112.91 113.97 1xpp h THR 35 Ca 0.00 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.28 1xpp h THR 35 Cb 0.98 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1xpp h THR 35 CO 0.08 0.23 -0.06 0.25 -0.25 0.00 0.00 175.52 175.77 1xpp h LEU 36 N 0.70 -0.15 -0.60 3.87 5.85 -1.07 -0.99 115.31 122.94 1xpp h LEU 36 Ca 0.17 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1xpp h LEU 36 Cb 0.15 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1xpp h LEU 36 CO -0.02 -0.03 -0.12 -0.37 -0.34 0.00 0.00 178.44 177.56 1xpp h VAL 37 N -0.26 1.27 -0.90 1.05 -1.51 -1.21 -1.35 116.25 113.34 1xpp h VAL 37 Ca -0.02 -1.26 0.14 0.00 -1.23 0.00 0.00 66.70 64.33 1xpp h VAL 37 Cb 0.20 0.98 -0.09 0.00 -2.13 0.00 0.00 31.29 30.25 1xpp h VAL 37 CO 0.03 0.44 0.51 -0.08 -1.23 0.00 0.00 177.57 177.24 1xpp h GLU 38 N 0.88 0.73 -0.13 5.19 4.81 -1.11 -0.80 114.58 124.16 1xpp h GLU 38 Ca 0.14 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1xpp h GLU 38 Cb 0.67 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1xpp h GLU 38 CO 0.05 0.48 -0.26 1.49 -0.73 0.00 0.00 179.01 180.04 1xpp h GLU 39 N 0.75 0.40 -0.71 1.92 4.57 -0.72 -2.84 114.58 117.96 1xpp h GLU 39 Ca 0.48 -0.26 0.11 0.00 -1.18 0.00 0.00 59.36 58.51 1xpp h GLU 39 Cb 0.61 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.19 1xpp h GLU 39 CO -0.33 0.86 0.47 0.82 -1.18 0.00 0.00 179.01 179.65 1xpp h ILE 40 N -0.00 0.89 0.00 2.32 2.04 -0.82 -1.93 117.51 120.00 1xpp h ILE 40 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1xpp h ILE 40 Cb 0.85 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1xpp h ILE 40 CO 0.06 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.48 1xpp n LEU 41 N -4.49 0.00 0.13 1.44 4.77 -0.34 -1.95 117.00 116.56 1xpp n LEU 41 Ca 0.12 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.72 1xpp n LEU 41 Cb 0.40 -0.49 0.37 0.00 -2.33 0.00 0.00 43.42 41.37 1xpp n LEU 41 CO 0.33 -0.14 0.87 0.11 -1.33 0.00 0.00 177.39 177.23 1xpp h LYS 42 N 0.00 0.00 -6.14 3.23 1.57 -1.31 -3.45 116.57 110.47 1xpp h LYS 42 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1xpp h LYS 42 Cb 0.34 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1xpp h LYS 42 CO 0.00 0.00 0.80 0.34 -0.57 0.00 0.00 179.45 180.02 1xpp s ASP 43 N -4.84 7.06 0.60 0.86 -1.08 -0.82 -4.94 116.67 113.52 1xpp s ASP 43 Ca 0.10 1.53 0.31 0.00 -0.52 0.00 0.00 52.55 53.97 1xpp s ASP 43 Cb 0.11 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.83 1xpp s ASP 43 CO 0.60 -0.67 2.17 0.44 0.52 0.00 0.00 175.17 178.23 1xpp h ASP 44 N 7.65 0.00 0.04 -0.34 3.45 -1.88 -2.67 116.42 122.67 1xpp h ASP 44 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 1xpp h ASP 44 Cb 1.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1xpp h ASP 44 CO 0.96 0.00 -0.04 0.00 -1.57 0.00 0.00 179.24 178.58 1xpp n GLN 45 N -3.66 1.47 -3.62 3.56 6.02 -1.26 -4.83 117.38 115.05 1xpp n GLN 45 Ca -0.01 -0.82 -0.36 0.00 -0.01 0.00 0.00 57.00 55.80 1xpp n GLN 45 Cb 0.23 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.92 1xpp n GLN 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xpp s VAL 46 N -2.09 5.34 -0.09 5.09 1.01 -1.01 -0.42 120.40 128.22 1xpp s VAL 46 Ca 0.36 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 1xpp s VAL 46 Cb 0.21 -3.54 -0.28 0.00 0.00 0.00 0.00 36.38 32.77 1xpp s VAL 46 CO 0.37 0.35 0.51 0.44 0.00 0.00 0.00 175.10 176.78 1xpp h ASP 47 N 7.25 0.48 -4.47 3.32 3.45 -1.22 -3.46 116.42 121.77 1xpp h ASP 47 Ca -0.39 -0.92 -0.13 0.00 0.43 0.00 0.00 57.03 56.03 1xpp h ASP 47 Cb 1.16 -0.16 -0.22 0.00 -0.56 0.00 0.00 39.33 39.56 1xpp h ASP 47 CO 0.69 1.78 -0.30 -0.70 -1.57 0.00 0.00 179.24 179.15 1xpp s GLU 48 N -2.54 0.54 -0.19 3.56 2.12 -0.89 -4.99 118.70 116.30 1xpp s GLU 48 Ca -0.20 0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.17 1xpp s GLU 48 Cb 0.06 0.25 0.09 0.00 0.26 0.00 0.00 34.13 34.78 1xpp s GLU 48 CO 0.80 -0.12 0.40 0.00 -0.54 0.00 0.00 175.26 175.80 1xpp s ALA 49 N -0.64 -1.10 0.24 6.30 0.00 -1.26 -0.80 121.76 124.50 1xpp s ALA 49 Ca -0.07 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.11 1xpp s ALA 49 Cb -0.04 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.83 1xpp s ALA 49 CO 0.02 -0.75 0.87 -0.98 0.00 0.00 0.00 175.76 174.92 1xpp s ARG 50 N 2.60 1.57 0.10 0.00 1.70 -0.74 -4.95 118.95 119.23 1xpp s ARG 50 Ca -0.01 -0.92 0.03 0.00 -0.47 0.00 0.00 55.73 54.35 1xpp s ARG 50 Cb -0.12 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 1xpp s ARG 50 CO -0.12 -0.73 0.12 0.71 -1.08 0.00 0.00 175.30 174.20 1xpp s TYR 51 N -3.12 3.25 0.14 5.89 1.51 -1.26 -0.98 117.35 122.78 1xpp s TYR 51 Ca 0.14 0.09 0.05 0.00 -1.01 0.00 0.00 57.07 56.34 1xpp s TYR 51 Cb -0.04 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1xpp s TYR 51 CO 0.06 0.53 -0.12 0.71 -1.11 0.00 0.00 175.55 175.62 1xpp s TYR 52 N -1.50 1.32 -0.19 2.71 1.51 0.11 -4.96 117.35 116.35 1xpp s TYR 52 Ca 0.31 -0.66 -0.20 0.00 -1.01 0.00 0.00 57.07 55.51 1xpp s TYR 52 Cb -0.12 -0.68 0.05 0.00 -0.11 0.00 0.00 41.96 41.11 1xpp s TYR 52 CO 0.24 0.12 0.55 -1.50 -1.11 0.00 0.00 175.55 173.85 1xpp s ILE 53 N -2.77 0.00 -0.05 2.71 2.07 -1.26 -0.94 121.20 120.96 1xpp s ILE 53 Ca 0.13 -0.02 -0.23 0.00 -1.41 0.00 0.00 60.65 59.12 1xpp s ILE 53 Cb -0.01 -0.78 -0.28 0.00 0.13 0.00 0.00 42.46 41.52 1xpp s ILE 53 CO 0.02 -0.01 0.94 0.11 -1.91 0.00 0.00 174.94 174.09 1xpp h LYS 54 N 5.07 0.26 -3.80 3.50 1.57 -1.97 -3.43 116.57 117.78 1xpp h LYS 54 Ca -0.28 -0.37 -0.63 0.00 -1.87 0.00 0.00 60.65 57.50 1xpp h LYS 54 Cb 1.17 0.13 -0.40 0.00 0.08 0.00 0.00 32.23 33.20 1xpp h LYS 54 CO 0.18 1.13 -0.71 -1.01 -0.57 0.00 0.00 179.45 178.47 1xpp s HIS 55 N -2.69 2.88 0.49 -1.35 3.76 -1.26 -5.02 115.29 112.09 1xpp s HIS 55 Ca -0.15 -2.70 0.29 0.00 -0.15 0.00 0.00 55.06 52.35 1xpp s HIS 55 Cb 0.01 -2.47 1.36 0.00 1.11 0.00 0.00 32.58 32.59 1xpp s HIS 55 CO 0.79 -0.85 1.81 -1.35 -0.85 0.00 0.00 174.74 174.30 1xpp h PRO 56 N 7.24 0.15 -0.01 8.40 0.11 -1.91 -0.62 132.00 145.36 1xpp h PRO 56 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1xpp h PRO 56 Cb 0.97 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1xpp h PRO 56 CO 0.55 0.10 -0.54 1.33 -0.21 0.00 0.00 178.00 179.22 1xpp n VAL 57 N -4.37 0.00 -0.04 3.15 0.24 -1.26 -4.67 118.33 111.39 1xpp n VAL 57 Ca 0.24 -0.23 -0.05 0.00 -2.04 0.00 0.00 64.34 62.26 1xpp n VAL 57 Cb 1.04 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 34.51 1xpp n VAL 57 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1xpp n ILE 58 N -0.59 0.42 -2.54 1.34 5.41 -0.82 -5.08 119.36 117.49 1xpp n ILE 58 Ca 0.06 -0.16 -0.24 0.00 1.00 0.00 0.00 62.75 63.41 1xpp n ILE 58 Cb 0.34 -0.76 0.04 0.00 -0.71 0.00 0.00 39.64 38.55 1xpp n ILE 58 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1xpp s ASP 59 N -4.68 5.30 0.17 4.38 1.01 -0.30 -5.06 116.67 117.48 1xpp s ASP 59 Ca -0.10 0.29 -0.21 0.00 0.71 0.00 0.00 52.55 53.24 1xpp s ASP 59 Cb 0.02 -1.19 -0.08 0.00 1.01 0.00 0.00 42.92 42.69 1xpp s ASP 59 CO 0.17 -1.17 0.69 0.20 0.21 0.00 0.00 175.17 175.27 1xpp s ASN 60 N -4.39 7.14 0.60 0.27 -0.87 -1.26 -4.91 114.94 111.52 1xpp s ASN 60 Ca 0.56 1.43 -0.18 0.00 -1.57 0.00 0.00 52.86 53.10 1xpp s ASN 60 Cb -0.10 -2.42 -0.03 0.00 -0.02 0.00 0.00 41.25 38.68 1xpp s ASN 60 CO 0.41 0.15 1.16 -2.16 -2.57 0.00 0.00 177.10 174.08 1xpp s PRO 61 N -1.53 2.99 -0.12 -0.60 0.04 -1.25 -4.76 135.00 129.77 1xpp s PRO 61 Ca 0.37 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1xpp s PRO 61 Cb -0.19 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1xpp s PRO 61 CO 0.22 -1.15 -0.18 -0.65 0.04 0.00 0.00 177.00 175.29 1xpp s GLN 62 N -3.55 3.22 0.05 4.56 -0.21 -0.12 -0.63 119.66 122.99 1xpp s GLN 62 Ca 0.73 -0.77 -0.20 0.00 0.02 0.00 0.00 55.36 55.13 1xpp s GLN 62 Cb -0.25 -2.50 -0.06 0.00 1.00 0.00 0.00 33.01 31.19 1xpp s GLN 62 CO 0.34 0.17 0.60 -1.50 -2.12 0.00 0.00 175.29 172.78 1xpp s ILE 63 N 0.43 4.77 -0.11 1.08 2.07 0.64 -0.72 121.20 129.36 1xpp s ILE 63 Ca -0.13 1.29 0.03 0.00 -1.41 0.00 0.00 60.65 60.43 1xpp s ILE 63 Cb -0.17 -3.94 0.00 0.00 0.13 0.00 0.00 42.46 38.49 1xpp s ILE 63 CO 0.06 0.49 -0.23 -0.47 -1.91 0.00 0.00 174.94 172.88 1xpp s TYR 64 N -0.73 2.60 -0.08 3.50 5.04 -0.15 -0.45 117.35 127.08 1xpp s TYR 64 Ca 0.31 -1.08 0.00 0.00 -2.44 0.00 0.00 57.07 53.86 1xpp s TYR 64 Cb -0.19 -1.74 0.02 0.00 0.35 0.00 0.00 41.96 40.40 1xpp s TYR 64 CO 0.19 -0.45 -0.06 0.08 -1.34 0.00 0.00 175.55 173.97 1xpp s VAL 65 N 0.44 0.81 -0.03 3.14 1.01 -0.46 -1.78 120.40 123.52 1xpp s VAL 65 Ca -0.16 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1xpp s VAL 65 Cb -0.17 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1xpp s VAL 65 CO 0.07 0.31 -0.22 -0.60 0.00 0.00 0.00 175.10 174.65 1xpp s ARG 66 N 1.31 2.23 0.23 2.72 3.52 0.02 -1.37 118.95 127.62 1xpp s ARG 66 Ca -0.04 -0.86 0.12 0.00 -0.13 0.00 0.00 55.73 54.82 1xpp s ARG 66 Cb -0.14 -2.14 -0.05 0.00 -1.56 0.00 0.00 34.95 31.06 1xpp s ARG 66 CO -0.03 0.58 -0.22 0.14 -0.81 0.00 0.00 175.30 174.96 1xpp s VAL 67 N -0.64 2.45 -0.11 7.11 -7.23 -0.36 -0.73 120.40 120.88 1xpp s VAL 67 Ca 0.10 -2.17 0.16 0.00 -1.81 0.00 0.00 61.98 58.27 1xpp s VAL 67 Cb -0.10 -2.22 -0.16 0.00 0.56 0.00 0.00 36.38 34.45 1xpp s VAL 67 CO -0.00 -0.23 0.75 2.29 -0.31 0.00 0.00 175.10 177.59 1xpp n LYS 68 N -0.11 0.63 -3.85 4.82 2.85 0.44 -4.73 118.16 118.21 1xpp n LYS 68 Ca -0.09 0.21 -0.11 0.00 -1.05 0.00 0.00 58.31 57.27 1xpp n LYS 68 Cb 0.58 -1.78 -0.09 0.00 -0.65 0.00 0.00 35.03 33.08 1xpp n LYS 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1xpp s SER 69 N -5.78 0.02 0.38 -5.58 1.04 -1.25 -5.11 113.70 97.43 1xpp s SER 69 Ca -0.04 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1xpp s SER 69 Cb 0.09 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1xpp s SER 69 CO 0.82 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 175.18 1xpp n GLY 70 N 1.05 -1.07 3.90 7.32 0.00 -1.26 -4.91 105.19 110.22 1xpp n GLY 70 Ca -0.21 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1xpp n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpp s LYS 71 N 0.00 3.33 0.14 1.61 1.02 -1.26 -4.93 119.74 119.65 1xpp s LYS 71 Ca 0.00 -0.53 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 1xpp s LYS 71 Cb 0.00 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1xpp s LYS 71 CO 0.00 0.58 1.57 -1.00 -0.92 0.00 0.00 175.35 175.58 1xpp h PRO 72 N 2.87 0.87 -0.80 -1.68 0.13 -1.90 -2.88 132.00 128.61 1xpp h PRO 72 Ca -0.46 -0.31 0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1xpp h PRO 72 Cb 1.17 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1xpp h PRO 72 CO 0.72 0.95 0.53 1.96 -0.23 0.00 0.00 178.00 181.92 1xpp h GLN 73 N 0.71 0.49 -0.16 0.86 7.50 -1.94 -1.16 115.11 121.41 1xpp h GLN 73 Ca 0.12 -0.03 -0.10 0.00 0.50 0.00 0.00 58.65 59.14 1xpp h GLN 73 Cb 0.60 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1xpp h GLN 73 CO 0.04 0.33 -0.34 0.77 -1.50 0.00 0.00 178.83 178.12 1xpp h SER 74 N 0.51 0.32 -0.50 1.46 0.02 -1.93 -0.88 113.55 112.56 1xpp h SER 74 Ca 0.39 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 61.10 1xpp h SER 74 Cb 0.80 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1xpp h SER 74 CO -0.14 0.65 -0.16 0.00 -1.14 0.00 0.00 176.83 176.04 1xpp h ALA 75 N 1.37 0.76 0.24 3.77 0.00 -1.20 0.13 119.26 124.34 1xpp h ALA 75 Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1xpp h ALA 75 Cb 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xpp h ALA 75 CO 0.06 0.67 -0.12 0.82 0.00 0.00 0.00 179.25 180.68 1xpp h ILE 76 N 0.87 0.81 -0.48 0.00 2.04 -1.22 -2.23 117.51 117.32 1xpp h ILE 76 Ca 0.13 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.70 1xpp h ILE 76 Cb 0.72 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 1xpp h ILE 76 CO 0.06 0.08 0.01 0.50 0.00 0.00 0.00 178.15 178.80 1xpp h LYS 77 N -0.52 0.12 -1.01 2.37 3.64 -1.02 -0.19 116.57 119.97 1xpp h LYS 77 Ca -0.03 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1xpp h LYS 77 Cb 0.39 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 1xpp h LYS 77 CO 0.05 0.08 0.65 0.00 -2.27 0.00 0.00 179.45 177.97 1xpp h ARG 78 N 0.13 1.15 -0.27 1.90 3.08 -0.64 -0.49 114.38 119.23 1xpp h ARG 78 Ca 0.24 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.09 1xpp h ARG 78 Cb 0.35 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1xpp h ARG 78 CO -0.39 0.76 -0.33 0.00 -1.07 0.00 0.00 179.97 178.94 1xpp h ALA 79 N 1.46 0.40 -0.25 0.04 0.00 -0.60 -1.79 119.26 118.52 1xpp h ALA 79 Ca 0.44 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1xpp h ALA 79 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xpp h ALA 79 CO -0.17 0.45 -0.51 0.28 0.00 0.00 0.00 179.25 179.30 1xpp h VAL 80 N 0.43 1.30 -0.49 0.00 2.07 -0.74 -1.55 116.25 117.28 1xpp h VAL 80 Ca 0.03 -1.71 -0.06 0.00 0.82 0.00 0.00 66.70 65.78 1xpp h VAL 80 Cb 0.91 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1xpp h VAL 80 CO 0.08 0.55 0.07 0.03 0.02 0.00 0.00 177.57 178.31 1xpp h ARG 81 N 0.56 0.81 -0.67 1.57 3.08 -1.07 -0.08 114.38 118.58 1xpp h ARG 81 Ca 0.02 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 59.87 1xpp h ARG 81 Cb 1.07 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 1xpp h ARG 81 CO 0.10 0.82 0.42 0.87 -1.07 0.00 0.00 179.97 181.12 1xpp h LYS 82 N 0.68 0.81 -0.29 0.04 1.57 -1.12 -1.05 116.57 117.21 1xpp h LYS 82 Ca 0.15 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 1xpp h LYS 82 Cb 0.41 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1xpp h LYS 82 CO 0.01 0.54 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.16 1xpp h LEU 83 N 0.84 0.68 -0.45 2.94 3.38 -0.84 -0.87 115.31 120.99 1xpp h LEU 83 Ca 0.26 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1xpp h LEU 83 Cb -0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1xpp h LEU 83 CO -0.09 0.97 0.22 0.28 0.09 0.00 0.00 178.44 179.91 1xpp h SER 84 N 0.38 0.31 -0.39 -0.43 0.02 -0.93 -2.48 113.55 110.04 1xpp h SER 84 Ca 0.06 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1xpp h SER 84 Cb 0.75 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1xpp h SER 84 CO 0.05 0.22 -0.22 0.50 -1.14 0.00 0.00 176.83 176.25 1xpp h LYS 85 N 0.44 0.89 -0.24 3.45 1.63 -1.00 -0.60 116.57 121.13 1xpp h LYS 85 Ca 0.19 -0.37 0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1xpp h LYS 85 Cb 0.11 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1xpp h LYS 85 CO -0.14 1.02 0.09 1.25 -3.45 0.00 0.00 179.45 178.22 1xpp h LEU 86 N 0.77 0.11 -0.50 5.20 6.46 -0.92 0.27 115.31 126.70 1xpp h LEU 86 Ca 0.10 0.02 -0.17 0.00 -0.12 0.00 0.00 57.88 57.72 1xpp h LEU 86 Cb 0.77 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1xpp h LEU 86 CO 0.06 0.09 -0.73 1.88 -0.62 0.00 0.00 178.44 179.12 1xpp h TYR 87 N 0.21 0.23 -0.46 1.25 0.05 -1.28 -0.55 116.97 116.41 1xpp h TYR 87 Ca 0.11 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1xpp h TYR 87 Cb 0.07 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1xpp h TYR 87 CO -0.12 0.84 0.18 0.93 -1.05 0.00 0.00 178.16 178.94 1xpp h GLU 88 N 0.11 0.69 -0.52 4.88 5.08 -0.79 -1.97 114.58 122.06 1xpp h GLU 88 Ca -0.02 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1xpp h GLU 88 Cb 1.29 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1xpp h GLU 88 CO 0.11 0.63 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.19 1xpp h ASP 89 N 0.60 1.00 -0.73 1.42 3.32 -0.39 -2.15 116.42 119.49 1xpp h ASP 89 Ca 0.15 -0.36 0.11 0.00 0.02 0.00 0.00 57.03 56.96 1xpp h ASP 89 Cb 0.20 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.40 1xpp h ASP 89 CO -0.01 1.12 0.34 0.25 -1.72 0.00 0.00 179.24 179.22 1xpp h LEU 90 N 0.86 0.40 -0.45 1.55 5.85 -1.04 0.08 115.31 122.56 1xpp h LEU 90 Ca 0.13 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1xpp h LEU 90 Cb 0.68 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1xpp h LEU 90 CO 0.05 0.21 0.29 1.23 -0.34 0.00 0.00 178.44 179.88 1xpp h GLY 91 N 0.55 0.63 1.01 3.75 0.00 -0.96 0.17 103.07 108.22 1xpp h GLY 91 Ca 0.37 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1xpp h GLY 91 CO -0.32 0.24 0.48 -0.84 0.00 0.00 0.00 176.54 176.10 1xpp h THR 92 N 0.61 1.21 -0.32 4.70 2.02 -0.75 -1.02 112.91 119.36 1xpp h THR 92 Ca 0.16 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1xpp h THR 92 Cb -0.06 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1xpp h THR 92 CO -0.03 0.21 0.08 1.56 0.37 0.00 0.00 175.52 177.71 1xpp h GLN 93 N 1.05 0.51 -0.44 6.66 4.20 -0.47 -1.33 115.11 125.28 1xpp h GLN 93 Ca 0.28 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1xpp h GLN 93 Cb -0.07 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1xpp h GLN 93 CO -0.05 0.57 0.11 0.74 -0.67 0.00 0.00 178.83 179.52 1xpp h PHE 94 N 0.35 0.75 -0.57 2.96 0.04 -0.86 -0.90 116.94 118.71 1xpp h PHE 94 Ca 0.10 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1xpp h PHE 94 Cb 0.29 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1xpp h PHE 94 CO 0.01 0.69 0.28 0.37 -0.60 0.00 0.00 178.31 179.06 1xpp h GLN 95 N 0.59 0.81 -0.53 1.51 4.15 -1.09 0.22 115.11 120.77 1xpp h GLN 95 Ca 0.14 -0.12 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 1xpp h GLN 95 Cb 0.32 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1xpp h GLN 95 CO 0.00 0.66 -0.12 0.87 -1.93 0.00 0.00 178.83 178.31 1xpp h LYS 96 N 0.77 1.01 -0.36 1.69 1.57 -1.15 -0.97 116.57 119.12 1xpp h LYS 96 Ca 0.20 -0.38 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 1xpp h LYS 96 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xpp h LYS 96 CO -0.03 1.07 -0.38 1.49 -0.57 0.00 0.00 179.45 181.03 1xpp h GLU 97 N 0.88 0.90 -0.72 3.15 4.57 -0.51 -1.22 114.58 121.63 1xpp h GLU 97 Ca 0.13 -0.48 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 1xpp h GLU 97 Cb 0.69 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 1xpp h GLU 97 CO 0.05 1.13 0.28 0.74 -1.18 0.00 0.00 179.01 180.03 1xpp h PHE 98 N 0.71 1.11 -0.66 0.92 0.04 -0.53 0.18 116.94 118.71 1xpp h PHE 98 Ca 0.06 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.78 1xpp h PHE 98 Cb 0.97 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 38.75 1xpp h PHE 98 CO 0.07 0.86 0.40 1.96 -0.60 0.00 0.00 178.31 180.99 1xpp h GLN 99 N 1.04 0.74 -0.04 1.51 4.20 -0.97 -1.41 115.11 120.18 1xpp h GLN 99 Ca 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1xpp h GLN 99 Cb 0.23 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1xpp h GLN 99 CO -0.02 0.49 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.48 1xpp h ARG 100 N 0.76 0.11 -0.67 1.46 2.43 -0.74 -1.27 114.38 116.46 1xpp h ARG 100 Ca 0.28 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1xpp h ARG 100 Cb 0.08 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1xpp h ARG 100 CO -0.13 0.62 0.42 -0.92 -1.51 0.00 0.00 179.97 178.44 1xpp h TYR 101 N -0.39 0.78 -0.10 2.20 5.03 -0.58 -0.31 116.97 123.60 1xpp h TYR 101 Ca 0.00 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.18 1xpp h TYR 101 Cb 0.61 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 1xpp h TYR 101 CO 0.11 0.44 -0.60 1.49 -1.32 0.00 0.00 178.16 178.27 1xpp h GLU 102 N 0.81 0.33 -0.82 1.82 4.22 -1.30 -1.38 114.58 118.26 1xpp h GLU 102 Ca 0.27 -0.23 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 1xpp h GLU 102 Cb 0.03 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1xpp h GLU 102 CO -0.11 0.83 0.50 0.77 -2.18 0.00 0.00 179.01 178.82 1xpp h SER 103 N 0.24 0.99 -0.26 1.04 0.02 -0.72 -2.75 113.55 112.12 1xpp h SER 103 Ca -0.01 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1xpp h SER 103 Cb 1.12 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1xpp h SER 103 CO 0.10 0.77 0.09 0.44 -1.14 0.00 0.00 176.83 177.09 1xpp h ASP 104 N 1.13 0.37 -0.01 3.07 3.32 -0.81 -3.51 116.42 119.99 1xpp h ASP 104 Ca 0.30 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xpp h ASP 104 Cb -0.04 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1xpp h ASP 104 CO -0.06 0.45 0.00 1.41 -1.72 0.00 0.00 179.24 179.33