#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptu n PRO 4 N 0.00 0.00 -0.83 0.00 -0.05 -1.26 -5.00 135.00 127.86 2ptu n PRO 4 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 63.56 2ptu n PRO 4 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.41 2ptu n PRO 4 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 2ptu n ASP 5 N 0.00 -4.96 -0.40 3.54 10.43 -1.26 -5.00 116.55 118.89 2ptu n ASP 5 Ca 0.00 0.54 0.00 0.00 2.57 0.00 0.00 54.79 57.90 2ptu n ASP 5 Cb 0.00 -2.64 0.00 0.00 1.84 0.00 0.00 41.12 40.32 2ptu n ASP 5 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2ptu n SER 6 N -3.41 0.00 -4.54 -2.24 3.41 -1.26 -4.66 113.62 100.92 2ptu n SER 6 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.28 2ptu n SER 6 Cb 0.38 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.52 2ptu n SER 6 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ptu n SER 7 N 0.00 -0.88 -3.72 4.04 7.64 -1.26 -4.42 113.62 115.02 2ptu n SER 7 Ca 0.00 0.21 -0.16 0.00 1.01 0.00 0.00 58.87 59.94 2ptu n SER 7 Cb 0.00 -1.33 -0.16 0.00 -1.01 0.00 0.00 64.21 61.72 2ptu n SER 7 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ptu s GLU 8 N -4.28 0.03 0.06 1.43 2.12 -0.87 -4.94 118.70 112.25 2ptu s GLU 8 Ca 0.64 0.39 -0.30 0.00 0.36 0.00 0.00 54.97 56.06 2ptu s GLU 8 Cb -0.22 -0.26 -0.05 0.00 0.26 0.00 0.00 34.13 33.85 2ptu s GLU 8 CO 0.62 -0.23 1.09 -1.21 -0.54 0.00 0.00 175.26 174.99 2ptu s GLU 9 N 1.60 4.52 -0.16 4.30 0.41 -1.26 -0.63 118.70 127.48 2ptu s GLU 9 Ca -0.04 1.61 0.01 0.00 -0.41 0.00 0.00 54.97 56.14 2ptu s GLU 9 Cb -0.12 -3.38 0.01 0.00 -1.78 0.00 0.00 34.13 28.86 2ptu s GLU 9 CO -0.05 -0.10 -0.19 0.08 -0.49 0.00 0.00 175.26 174.51 2ptu s VAL 10 N 0.77 2.22 -0.25 2.63 1.01 0.71 -4.91 120.40 122.58 2ptu s VAL 10 Ca 0.54 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2ptu s VAL 10 Cb -0.26 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2ptu s VAL 10 CO 0.30 0.53 0.06 -0.69 0.00 0.00 0.00 175.10 175.30 2ptu s VAL 11 N 1.02 4.21 0.35 2.92 1.01 -1.26 -0.46 120.40 128.19 2ptu s VAL 11 Ca -0.02 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2ptu s VAL 11 Cb -0.15 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 2ptu s VAL 11 CO -0.06 0.32 0.03 -0.83 0.00 0.00 0.00 175.10 174.56 2ptu s GLY 12 N 1.59 2.11 -0.20 4.51 0.00 0.15 -4.99 107.32 110.51 2ptu s GLY 12 Ca 0.06 -1.99 -0.06 0.00 0.00 0.00 0.00 44.72 42.73 2ptu s GLY 12 CO 0.03 -1.91 0.02 0.14 0.00 0.00 0.00 173.10 171.38 2ptu s VAL 13 N -2.54 4.23 0.14 1.40 1.01 -1.26 -0.86 120.40 122.52 2ptu s VAL 13 Ca 0.35 -0.22 -0.34 0.00 0.00 0.00 0.00 61.98 61.77 2ptu s VAL 13 Cb 0.01 -2.91 -0.16 0.00 0.00 0.00 0.00 36.38 33.31 2ptu s VAL 13 CO 0.20 0.43 1.15 -0.24 0.00 0.00 0.00 175.10 176.64 2ptu n SER 14 N 4.06 1.12 -0.40 3.32 2.88 0.20 -1.18 113.62 123.62 2ptu n SER 14 Ca -0.17 1.14 -0.05 0.00 -1.33 0.00 0.00 58.87 58.46 2ptu n SER 14 Cb 0.52 -1.17 -0.02 0.00 -0.75 0.00 0.00 64.21 62.79 2ptu n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ptu n GLY 15 N 2.05 0.73 3.47 0.46 0.00 0.23 -4.89 105.19 107.24 2ptu n GLY 15 Ca 0.16 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2ptu n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptu s LYS 16 N -1.95 1.67 0.38 1.61 -0.14 -0.32 -4.66 119.74 116.33 2ptu s LYS 16 Ca 0.00 -1.75 -0.26 0.00 -1.36 0.00 0.00 55.97 52.60 2ptu s LYS 16 Cb 0.00 -1.78 -0.09 0.00 -1.68 0.00 0.00 37.83 34.28 2ptu s LYS 16 CO 0.00 0.34 1.22 -1.25 -0.76 0.00 0.00 175.35 174.90 2ptu s PRO 17 N -3.43 4.11 -0.02 -1.68 0.04 -1.21 0.44 135.00 133.25 2ptu s PRO 17 Ca 0.29 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.33 2ptu s PRO 17 Cb -0.05 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.70 2ptu s PRO 17 CO 0.15 -0.32 -0.04 0.54 0.04 0.00 0.00 177.00 177.37 2ptu s VAL 18 N -1.31 0.37 -0.15 -0.36 0.11 -0.62 -4.84 120.40 113.59 2ptu s VAL 18 Ca 0.55 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2ptu s VAL 18 Cb -0.34 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2ptu s VAL 18 CO 0.44 0.14 -0.15 -1.58 -3.33 0.00 0.00 175.10 170.62 2ptu s GLN 19 N 0.32 3.23 -0.65 1.54 0.74 -1.26 -0.08 119.66 123.49 2ptu s GLN 19 Ca -0.03 -0.74 -0.23 0.00 0.05 0.00 0.00 55.36 54.41 2ptu s GLN 19 Cb -0.07 -2.63 0.07 0.00 1.10 0.00 0.00 33.01 31.48 2ptu s GLN 19 CO -0.00 0.03 0.96 -0.51 -0.55 0.00 0.00 175.29 175.22 2ptu s LEU 20 N 0.79 4.36 -0.18 3.68 1.43 -0.24 -5.00 118.68 123.52 2ptu s LEU 20 Ca -0.06 -0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 52.03 2ptu s LEU 20 Cb -0.15 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 2ptu s LEU 20 CO 0.00 -1.43 0.08 -0.13 0.23 0.00 0.00 176.35 175.11 2ptu s ARG 21 N 4.06 3.96 0.21 1.70 0.52 -1.26 -2.49 118.95 125.64 2ptu s ARG 21 Ca 0.23 -0.30 -0.09 0.00 -0.52 0.00 0.00 55.73 55.05 2ptu s ARG 21 Cb -0.16 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 31.99 2ptu s ARG 21 CO 0.11 0.34 0.51 -1.25 0.02 0.00 0.00 175.30 175.02 2ptu s PRO 22 N 0.21 3.76 0.10 3.54 0.04 -1.26 -5.05 135.00 136.34 2ptu s PRO 22 Ca 0.06 0.20 0.08 0.00 0.04 0.00 0.00 61.00 61.38 2ptu s PRO 22 Cb -0.12 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 2ptu s PRO 22 CO -0.00 0.36 -0.16 -1.12 0.04 0.00 0.00 177.00 176.12 2ptu s SER 23 N -2.35 4.00 -0.93 6.66 0.01 -1.26 -4.85 113.70 114.98 2ptu s SER 23 Ca 0.45 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 57.16 2ptu s SER 23 Cb -0.12 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 2ptu s SER 23 CO 0.22 0.19 0.81 0.59 0.41 0.00 0.00 173.24 175.45 2ptu n ASN 24 N 0.87 -6.83 -4.21 2.44 5.03 -1.26 -5.03 115.26 106.26 2ptu n ASN 24 Ca -0.15 -0.52 -0.12 0.00 0.87 0.00 0.00 54.58 54.65 2ptu n ASN 24 Cb 0.53 -4.85 -0.10 0.00 -1.02 0.00 0.00 39.78 34.34 2ptu n ASN 24 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2ptu s ILE 25 N -3.23 0.76 -0.19 2.41 -4.36 -1.26 -5.04 121.20 110.28 2ptu s ILE 25 Ca 0.27 -1.97 -0.11 0.00 -0.26 0.00 0.00 60.65 58.58 2ptu s ILE 25 Cb -0.05 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 2ptu s ILE 25 CO 0.77 -0.70 0.16 -1.58 0.24 0.00 0.00 174.94 173.82 2ptu s GLN 26 N -3.85 4.20 0.00 0.37 0.74 -1.26 -4.98 119.66 114.87 2ptu s GLN 26 Ca 0.17 -0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.48 2ptu s GLN 26 Cb 0.05 -3.42 -0.07 0.00 1.10 0.00 0.00 33.01 30.67 2ptu s GLN 26 CO -0.01 0.29 0.34 0.25 -0.55 0.00 0.00 175.29 175.61 2ptu n THR 27 N 3.53 0.00 -3.92 -0.34 -2.24 -1.26 -4.90 114.28 105.15 2ptu n THR 27 Ca -0.15 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 2ptu n THR 27 Cb 0.52 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.70 2ptu n THR 27 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ptu s LYS 28 N -1.61 3.40 -1.44 -0.78 1.02 -1.26 -4.58 119.74 114.49 2ptu s LYS 28 Ca 0.03 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 2ptu s LYS 28 Cb 0.06 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2ptu s LYS 28 CO 0.28 0.74 0.29 -0.25 -0.92 0.00 0.00 175.35 175.49 2ptu n ASP 29 N 1.69 -0.20 -4.38 2.83 8.00 -1.26 -4.98 116.55 118.26 2ptu n ASP 29 Ca -0.17 -1.12 -0.19 0.00 0.71 0.00 0.00 54.79 54.01 2ptu n ASP 29 Cb 0.54 -2.46 -0.10 0.00 -0.02 0.00 0.00 41.12 39.08 2ptu n ASP 29 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ptu s VAL 30 N -4.08 1.06 0.13 2.53 -7.23 -1.26 -4.05 120.40 107.50 2ptu s VAL 30 Ca 0.04 -2.02 0.11 0.00 -1.81 0.00 0.00 61.98 58.30 2ptu s VAL 30 Cb -0.02 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2ptu s VAL 30 CO 0.93 -0.15 -0.26 -0.94 -0.31 0.00 0.00 175.10 174.37 2ptu s SER 31 N -3.39 3.37 -0.03 4.85 1.04 -0.46 -4.93 113.70 114.16 2ptu s SER 31 Ca 0.33 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 56.06 2ptu s SER 31 Cb 0.07 -0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 2ptu s SER 31 CO 0.12 0.18 -0.14 -0.69 0.98 0.00 0.00 173.24 173.70 2ptu s VAL 32 N -1.08 1.13 -0.02 5.02 1.01 -0.93 -1.32 120.40 124.20 2ptu s VAL 32 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2ptu s VAL 32 Cb -0.10 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2ptu s VAL 32 CO 0.06 0.33 0.00 -1.10 0.00 0.00 0.00 175.10 174.40 2ptu s GLN 33 N -0.04 0.20 -0.09 2.72 -0.21 -0.37 -1.50 119.66 120.37 2ptu s GLN 33 Ca -0.00 0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.47 2ptu s GLN 33 Cb -0.09 -0.37 -0.02 0.00 1.00 0.00 0.00 33.01 33.53 2ptu s GLN 33 CO 0.01 -0.12 -0.13 -1.58 -2.12 0.00 0.00 175.29 171.36 2ptu s TRP 34 N 0.86 2.78 0.17 0.91 0.52 -0.44 -0.13 118.94 123.61 2ptu s TRP 34 Ca -0.08 -0.33 -0.15 0.00 0.02 0.00 0.00 56.10 55.55 2ptu s TRP 34 Cb -0.12 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 2ptu s TRP 34 CO -0.02 0.04 0.44 -1.59 0.02 0.00 0.00 176.95 175.84 2ptu s LYS 35 N -0.27 1.25 0.06 4.98 -2.85 -0.60 -0.94 119.74 121.35 2ptu s LYS 35 Ca 0.02 -0.89 0.06 0.00 -1.00 0.00 0.00 55.97 54.16 2ptu s LYS 35 Cb -0.13 0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 2ptu s LYS 35 CO 0.03 -0.50 -0.17 0.21 0.10 0.00 0.00 175.35 175.01 2ptu s LYS 36 N -3.88 1.09 -0.26 1.78 2.20 0.07 -0.23 119.74 120.52 2ptu s LYS 36 Ca 0.09 -0.91 -0.10 0.00 -0.36 0.00 0.00 55.97 54.69 2ptu s LYS 36 Cb 0.01 -1.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.10 2ptu s LYS 36 CO -0.05 0.29 0.15 0.99 -0.36 0.00 0.00 175.35 176.38 2ptu s THR 37 N -0.94 5.05 -0.20 3.43 2.01 0.69 0.29 115.64 125.98 2ptu s THR 37 Ca 0.04 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 2ptu s THR 37 Cb -0.09 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2ptu s THR 37 CO 0.02 0.29 -0.06 -0.75 -0.69 0.00 0.00 174.62 173.43 2ptu s LYS 44 N 1.60 3.39 -0.20 4.92 2.20 -1.26 -4.83 119.74 125.57 2ptu s LYS 44 Ca 0.07 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2ptu s LYS 44 Cb -0.15 -2.92 0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2ptu s LYS 44 CO 0.08 -0.08 -0.12 0.42 -0.36 0.00 0.00 175.35 175.29 2ptu s ILE 45 N 1.17 1.75 0.23 5.43 1.01 0.14 -5.12 121.20 125.81 2ptu s ILE 45 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.33 2ptu s ILE 45 Cb -0.14 -1.78 -0.09 0.00 0.01 0.00 0.00 42.46 40.46 2ptu s ILE 45 CO -0.01 0.22 1.09 -1.61 0.00 0.00 0.00 174.94 174.63 2ptu s GLU 46 N 1.36 4.63 -0.14 2.79 0.41 -1.26 -0.75 118.70 125.73 2ptu s GLU 46 Ca -0.01 1.75 -0.07 0.00 -0.41 0.00 0.00 54.97 56.23 2ptu s GLU 46 Cb -0.16 -3.24 -0.06 0.00 -1.78 0.00 0.00 34.13 28.89 2ptu s GLU 46 CO -0.09 0.16 -0.18 -0.89 -0.49 0.00 0.00 175.26 173.77 2ptu n ILE 47 N 1.80 0.78 -3.69 -1.63 5.41 -0.12 -4.63 119.36 117.29 2ptu n ILE 47 Ca 0.01 -0.19 -0.14 0.00 1.00 0.00 0.00 62.75 63.42 2ptu n ILE 47 Cb 0.45 -1.70 -0.09 0.00 -0.71 0.00 0.00 39.64 37.60 2ptu n ILE 47 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2ptu s LEU 48 N -6.78 0.12 0.09 1.39 0.20 -1.08 -0.99 118.68 111.63 2ptu s LEU 48 Ca -0.20 0.80 0.09 0.00 0.69 0.00 0.00 54.13 55.52 2ptu s LEU 48 Cb 0.08 1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 47.56 2ptu s LEU 48 CO 0.25 -0.29 -0.25 0.20 -0.29 0.00 0.00 176.35 175.98 2ptu s ASN 49 N -0.23 3.00 -0.32 3.68 0.01 -0.99 -1.33 114.94 118.76 2ptu s ASN 49 Ca -0.04 -0.65 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 2ptu s ASN 49 Cb -0.03 -0.22 0.11 0.00 0.41 0.00 0.00 41.25 41.51 2ptu s ASN 49 CO 0.03 0.18 0.14 0.86 -1.51 0.00 0.00 177.10 176.79 2ptu s TRP 50 N -0.96 1.17 0.00 2.20 -0.11 -0.56 -1.34 118.94 119.33 2ptu s TRP 50 Ca 0.11 -1.51 0.00 0.00 1.22 0.00 0.00 56.10 55.92 2ptu s TRP 50 Cb -0.10 -1.37 0.00 0.00 -1.50 0.00 0.00 33.47 30.50 2ptu s TRP 50 CO 0.04 -0.85 0.00 0.66 -4.62 0.00 0.00 176.95 172.18 2ptu n TYR 51 N 4.76 0.00 0.27 5.86 4.02 -1.25 -2.19 117.16 128.63 2ptu n TYR 51 Ca -0.01 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.03 2ptu n TYR 51 Cb 0.41 0.00 0.71 0.00 -0.02 0.00 0.00 39.34 40.43 2ptu n TYR 51 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 2ptu h ASN 52 N 0.00 0.00 -1.02 7.72 -1.07 -1.99 -2.99 115.58 116.24 2ptu h ASN 52 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.79 2ptu h ASN 52 Cb 0.00 0.00 -0.41 0.00 -2.07 0.00 0.00 38.32 35.84 2ptu h ASN 52 CO 0.00 0.09 -0.58 -0.90 0.07 0.00 0.00 177.43 176.11 2ptu n ASP 53 N -3.33 5.21 0.00 6.14 5.68 -1.26 -5.08 116.55 123.90 2ptu n ASP 53 Ca -0.01 -3.75 0.00 0.00 -0.50 0.00 0.00 54.79 50.53 2ptu n ASP 53 Cb 0.29 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 2ptu n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ptu n GLY 54 N -0.66 0.12 3.78 6.12 0.00 -1.13 -4.93 105.19 108.49 2ptu n GLY 54 Ca 0.45 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 2ptu n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ptu s PRO 55 N -2.43 3.63 -0.12 1.61 0.04 -1.26 -3.78 135.00 132.69 2ptu s PRO 55 Ca 0.00 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 2ptu s PRO 55 Cb 0.00 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.37 2ptu s PRO 55 CO 0.00 -0.62 0.39 -1.54 0.04 0.00 0.00 177.00 175.27 2ptu s SER 56 N -1.64 -0.38 0.39 6.66 1.04 -0.45 -4.97 113.70 114.34 2ptu s SER 56 Ca 0.67 0.65 -0.26 0.00 0.48 0.00 0.00 55.95 57.50 2ptu s SER 56 Cb -0.24 0.70 -0.09 0.00 0.10 0.00 0.00 66.02 66.49 2ptu s SER 56 CO 0.29 -0.22 1.25 0.26 0.98 0.00 0.00 173.24 175.80 2ptu s TRP 57 N -0.16 2.96 -0.94 5.02 0.52 -1.26 -2.35 118.94 122.72 2ptu s TRP 57 Ca -0.03 1.47 0.28 0.00 0.02 0.00 0.00 56.10 57.84 2ptu s TRP 57 Cb -0.03 -3.57 1.05 0.00 -1.15 0.00 0.00 33.47 29.77 2ptu s TRP 57 CO 0.02 -1.75 1.82 0.43 0.02 0.00 0.00 176.95 177.49 2ptu n SER 58 N 0.24 0.22 -3.74 2.95 7.64 -0.16 -4.64 113.62 116.13 2ptu n SER 58 Ca 0.03 0.41 -0.16 0.00 1.01 0.00 0.00 58.87 60.16 2ptu n SER 58 Cb 0.44 -0.44 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 2ptu n SER 58 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2ptu s ASN 59 N -3.29 0.37 0.30 6.43 3.84 -1.26 -5.04 114.94 116.28 2ptu s ASN 59 Ca 0.13 0.08 0.07 0.00 0.21 0.00 0.00 52.86 53.34 2ptu s ASN 59 Cb 0.18 -0.06 0.85 0.00 -0.55 0.00 0.00 41.25 41.66 2ptu s ASN 59 CO 0.57 -0.17 1.43 0.55 -2.79 0.00 0.00 177.10 176.69 2ptu n VAL 60 N 4.52 -0.38 0.24 -5.21 3.14 -1.26 -0.64 118.33 118.74 2ptu n VAL 60 Ca -0.21 1.95 0.11 0.00 -2.96 0.00 0.00 64.34 63.23 2ptu n VAL 60 Cb 0.50 -2.94 0.56 0.00 -1.06 0.00 0.00 33.84 30.91 2ptu n VAL 60 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 2ptu h SER 61 N 0.00 0.00 -0.33 6.55 4.64 -1.98 -3.21 113.55 119.23 2ptu h SER 61 Ca 0.62 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 62.03 2ptu h SER 61 Cb 1.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2ptu h SER 61 CO -0.81 0.20 0.29 -0.26 -0.87 0.00 0.00 176.83 175.38 2ptu h PHE 62 N 0.00 0.00 0.00 4.77 0.05 -1.29 -1.86 116.94 118.61 2ptu h PHE 62 Ca -0.00 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 2ptu h PHE 62 Cb 0.58 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.53 2ptu h PHE 62 CO 0.00 0.00 -0.01 0.66 -0.18 0.00 0.00 178.31 178.78 2ptu h SER 63 N 0.00 0.00 0.65 2.17 4.64 -1.73 0.13 113.55 119.42 2ptu h SER 63 Ca 0.15 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.24 2ptu h SER 63 Cb 0.74 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 2ptu h SER 63 CO -0.00 0.01 -1.49 0.44 -0.87 0.00 0.00 176.83 174.92 2ptu h ASP 64 N 0.00 0.00 0.19 4.97 3.32 -1.61 -3.40 116.42 119.90 2ptu h ASP 64 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 2ptu h ASP 64 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2ptu h ASP 64 CO 0.00 0.82 -2.03 -0.38 -1.72 0.00 0.00 179.24 175.94 2ptu n ILE 65 N -3.02 1.67 -4.45 0.35 5.41 -0.74 -4.83 119.36 113.75 2ptu n ILE 65 Ca -0.12 -0.69 -0.24 0.00 1.00 0.00 0.00 62.75 62.69 2ptu n ILE 65 Cb 0.95 -1.43 -0.10 0.00 -0.71 0.00 0.00 39.64 38.34 2ptu n ILE 65 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2ptu s TYR 66 N -2.56 2.26 0.30 1.39 2.02 0.38 -1.71 117.35 119.44 2ptu s TYR 66 Ca -0.19 -0.35 0.10 0.00 -0.37 0.00 0.00 57.07 56.26 2ptu s TYR 66 Cb 0.07 -1.02 -0.06 0.00 -0.40 0.00 0.00 41.96 40.56 2ptu s TYR 66 CO 0.76 0.64 -0.12 0.20 -1.57 0.00 0.00 175.55 175.46 2ptu s GLY 67 N -3.27 1.98 -0.18 0.71 0.00 -0.32 -4.64 107.32 101.59 2ptu s GLY 67 Ca 0.27 -1.96 -0.08 0.00 0.00 0.00 0.00 44.72 42.95 2ptu s GLY 67 CO 0.13 -1.96 0.40 -0.12 0.00 0.00 0.00 173.10 171.55 2ptu s PHE 68 N -2.68 -0.66 -0.28 1.90 5.36 -1.26 -1.71 117.98 118.64 2ptu s PHE 68 Ca 0.30 1.35 -0.16 0.00 -0.96 0.00 0.00 56.93 57.46 2ptu s PHE 68 Cb 0.00 0.26 -0.03 0.00 -0.34 0.00 0.00 43.02 42.91 2ptu s PHE 68 CO 0.14 -0.40 0.44 0.34 -1.46 0.00 0.00 175.22 174.29 2ptu s ASP 69 N 1.96 6.32 0.26 6.13 3.68 -0.43 -4.97 116.67 129.63 2ptu s ASP 69 Ca -0.06 0.30 0.03 0.00 2.13 0.00 0.00 52.55 54.96 2ptu s ASP 69 Cb -0.10 -2.24 0.35 0.00 -1.45 0.00 0.00 42.92 39.48 2ptu s ASP 69 CO -0.12 -0.26 1.66 1.88 0.13 0.00 0.00 175.17 178.45 2ptu h TYR 70 N 8.17 0.45 -0.28 -5.34 0.99 -1.96 -1.11 116.97 117.89 2ptu h TYR 70 Ca -0.30 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.26 2ptu h TYR 70 Cb 1.15 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.77 2ptu h TYR 70 CO 0.75 0.73 0.00 0.78 -0.00 0.00 0.00 178.16 180.42 2ptu h GLY 71 N 1.15 0.53 -0.09 3.88 0.00 -1.98 -3.35 103.07 103.21 2ptu h GLY 71 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2ptu h GLY 71 CO 0.07 0.36 -0.04 2.09 0.00 0.00 0.00 176.54 179.02 2ptu n ASP 72 N -4.59 1.35 0.00 0.19 5.68 -1.24 -4.91 116.55 113.03 2ptu n ASP 72 Ca -0.03 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 2ptu n ASP 72 Cb 0.25 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2ptu n ASP 72 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2ptu n PHE 73 N -0.48 0.00 -1.70 2.11 3.72 -0.42 -4.47 117.46 116.22 2ptu n PHE 73 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 2ptu n PHE 73 Cb 0.42 -1.74 -0.03 0.00 -0.94 0.00 0.00 39.48 37.19 2ptu n PHE 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ptu n ALA 74 N 1.00 2.52 -2.58 4.37 0.00 -1.24 -4.78 120.51 119.79 2ptu n ALA 74 Ca 0.00 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 2ptu n ALA 74 Cb 0.43 -2.57 -0.09 0.00 0.00 0.00 0.00 19.45 17.22 2ptu n ALA 74 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ptu s LEU 75 N 2.04 4.16 0.12 0.00 2.96 -1.04 -1.31 118.68 125.61 2ptu s LEU 75 Ca 0.79 0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.73 2ptu s LEU 75 Cb -0.49 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 2ptu s LEU 75 CO 0.35 -0.22 0.34 -0.44 -1.32 0.00 0.00 176.35 175.07 2ptu s SER 76 N 1.69 6.47 -0.21 3.68 0.01 -0.69 -1.08 113.70 123.57 2ptu s SER 76 Ca 0.13 0.54 -0.03 0.00 1.31 0.00 0.00 55.95 57.89 2ptu s SER 76 Cb -0.16 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 2ptu s SER 76 CO 0.11 0.08 -0.06 -0.63 0.41 0.00 0.00 173.24 173.15 2ptu s ILE 77 N -1.61 3.30 0.22 1.44 1.01 0.89 -1.18 121.20 125.27 2ptu s ILE 77 Ca 0.39 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 2ptu s ILE 77 Cb -0.12 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2ptu s ILE 77 CO 0.25 0.44 1.61 0.11 0.00 0.00 0.00 174.94 177.35 2ptu h LYS 78 N 7.90 0.61 -2.10 2.79 1.57 -1.62 -1.64 116.57 124.08 2ptu h LYS 78 Ca -0.40 -0.29 -0.21 0.00 -1.87 0.00 0.00 60.65 57.88 2ptu h LYS 78 Cb 1.17 -0.01 -0.32 0.00 0.08 0.00 0.00 32.23 33.15 2ptu h LYS 78 CO 0.60 0.87 -0.53 0.45 -0.57 0.00 0.00 179.45 180.27 2ptu s SER 79 N -6.83 0.67 0.46 0.86 0.15 -1.26 -3.30 113.70 104.45 2ptu s SER 79 Ca -0.08 0.03 -0.21 0.00 0.70 0.00 0.00 55.95 56.38 2ptu s SER 79 Cb 0.13 0.86 -0.09 0.00 -1.71 0.00 0.00 66.02 65.20 2ptu s SER 79 CO 0.82 -0.31 1.04 0.00 1.20 0.00 0.00 173.24 175.99 2ptu s ALA 80 N 2.47 2.94 0.10 5.45 0.00 0.17 -4.74 121.76 128.15 2ptu s ALA 80 Ca 0.11 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.72 2ptu s ALA 80 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2ptu s ALA 80 CO -0.16 -0.27 -0.08 0.15 0.00 0.00 0.00 175.76 175.40 2ptu s LYS 81 N -3.02 0.85 0.27 0.00 1.02 -1.26 0.76 119.74 118.37 2ptu s LYS 81 Ca 0.64 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2ptu s LYS 81 Cb -0.18 -0.35 0.55 0.00 -0.52 0.00 0.00 37.83 37.33 2ptu s LYS 81 CO 0.22 0.02 1.81 -0.07 -0.92 0.00 0.00 175.35 176.41 2ptu h LEU 82 N 3.16 0.78 -2.00 3.17 4.07 -1.96 0.99 115.31 123.52 2ptu h LEU 82 Ca -0.36 0.06 0.17 0.00 0.08 0.00 0.00 57.88 57.83 2ptu h LEU 82 Cb 1.18 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 2ptu h LEU 82 CO 0.60 0.39 0.41 0.06 -1.08 0.00 0.00 178.44 178.83 2ptu h GLN 83 N 0.85 0.00 0.00 1.13 3.07 -1.96 -2.22 115.11 115.97 2ptu h GLN 83 Ca 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.21 2ptu h GLN 83 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 2ptu h GLN 83 CO -0.30 0.00 -0.05 -0.44 0.09 0.00 0.00 178.83 178.13 2ptu h ASP 84 N 0.00 0.00 -2.70 0.06 3.32 -1.20 -3.44 116.42 112.46 2ptu h ASP 84 Ca 0.27 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.73 2ptu h ASP 84 Cb 1.09 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.78 2ptu h ASP 84 CO -0.00 0.05 -0.03 -1.20 -1.72 0.00 0.00 179.24 176.34 2ptu n SER 85 N -4.28 0.56 0.00 6.45 7.64 -0.84 -4.86 113.62 118.30 2ptu n SER 85 Ca -0.03 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2ptu n SER 85 Cb 0.14 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 2ptu n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ptu n GLY 86 N 1.39 0.53 3.67 0.23 0.00 -0.56 -4.98 105.19 105.46 2ptu n GLY 86 Ca 0.10 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 2ptu n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ptu s HIS 87 N -1.98 3.33 0.08 1.61 5.65 -1.26 -1.00 115.29 121.72 2ptu s HIS 87 Ca 0.00 0.26 0.08 0.00 0.25 0.00 0.00 55.06 55.65 2ptu s HIS 87 Cb 0.00 -2.28 -0.04 0.00 -1.18 0.00 0.00 32.58 29.09 2ptu s HIS 87 CO 0.00 0.08 -0.18 0.71 -0.65 0.00 0.00 174.74 174.70 2ptu s TYR 88 N 1.02 2.54 -0.06 3.88 1.51 -0.10 -0.22 117.35 125.92 2ptu s TYR 88 Ca 0.08 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2ptu s TYR 88 Cb -0.13 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2ptu s TYR 88 CO 0.04 0.32 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.48 2ptu s LEU 89 N -1.80 1.79 -0.34 -1.29 2.96 0.68 -1.02 118.68 119.66 2ptu s LEU 89 Ca 0.16 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2ptu s LEU 89 Cb -0.11 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.66 2ptu s LEU 89 CO 0.08 0.09 0.17 -0.22 -1.32 0.00 0.00 176.35 175.15 2ptu s LEU 90 N 0.41 4.41 -0.34 -0.68 0.20 0.01 -1.56 118.68 121.13 2ptu s LEU 90 Ca -0.11 -0.81 -0.11 0.00 0.69 0.00 0.00 54.13 53.79 2ptu s LEU 90 Cb -0.14 -2.00 -0.00 0.00 -0.43 0.00 0.00 46.19 43.62 2ptu s LEU 90 CO 0.04 -0.30 0.20 -1.61 -0.29 0.00 0.00 176.35 174.39 2ptu s GLU 91 N 1.56 3.25 -0.21 1.98 2.02 0.81 -0.71 118.70 127.41 2ptu s GLU 91 Ca 0.03 -0.79 -0.06 0.00 0.02 0.00 0.00 54.97 54.17 2ptu s GLU 91 Cb -0.18 -3.70 -0.02 0.00 0.10 0.00 0.00 34.13 30.33 2ptu s GLU 91 CO 0.06 -0.50 0.01 0.42 0.02 0.00 0.00 175.26 175.27 2ptu s ILE 92 N 1.64 4.03 -0.08 -1.63 1.01 0.05 -1.24 121.20 124.98 2ptu s ILE 92 Ca 0.05 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2ptu s ILE 92 Cb -0.18 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 2ptu s ILE 92 CO 0.08 0.41 -0.21 0.28 0.00 0.00 0.00 174.94 175.50 2ptu s THR 93 N 1.12 2.43 0.51 2.92 -1.32 -0.44 0.15 115.64 121.01 2ptu s THR 93 Ca 0.03 -0.92 0.08 0.00 -1.21 0.00 0.00 61.69 59.67 2ptu s THR 93 Cb -0.14 -1.93 0.08 0.00 -1.51 0.00 0.00 72.50 68.99 2ptu s THR 93 CO 0.02 0.56 0.64 -0.46 -2.21 0.00 0.00 174.62 173.17 2ptu n ASN 94 N 3.05 2.03 0.00 8.08 0.23 -0.79 -1.35 115.26 126.51 2ptu n ASN 94 Ca -0.18 -2.44 0.05 0.00 -0.53 0.00 0.00 54.58 51.48 2ptu n ASN 94 Cb 0.52 -0.31 0.26 0.00 -2.08 0.00 0.00 39.78 38.18 2ptu n ASN 94 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2ptu n THR 95 N -2.03 0.20 1.13 5.53 -2.24 -1.26 -0.84 114.28 114.77 2ptu n THR 95 Ca 0.11 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 2ptu n THR 95 Cb 0.54 -0.91 0.24 0.00 -2.10 0.00 0.00 70.33 68.10 2ptu n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ptu n GLY 96 N -0.45 -0.67 2.29 3.38 0.00 -1.26 -4.93 105.19 103.55 2ptu n GLY 96 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2ptu n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ptu n GLY 97 N 1.40 0.74 3.64 -0.02 0.00 -0.02 -5.02 105.19 105.91 2ptu n GLY 97 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2ptu n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptu s LYS 98 N -0.07 4.12 -0.01 1.61 1.02 -1.26 -4.82 119.74 120.33 2ptu s LYS 98 Ca 0.00 0.90 -0.19 0.00 0.02 0.00 0.00 55.97 56.69 2ptu s LYS 98 Cb 0.00 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 2ptu s LYS 98 CO 0.00 -0.60 0.55 0.54 -0.92 0.00 0.00 175.35 174.91 2ptu s VAL 99 N 2.97 4.95 -0.23 3.17 0.11 -1.26 -1.88 120.40 128.24 2ptu s VAL 99 Ca 0.36 1.14 -0.06 0.00 -2.93 0.00 0.00 61.98 60.48 2ptu s VAL 99 Cb -0.15 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 30.80 2ptu s VAL 99 CO 0.09 0.44 0.03 0.00 -3.33 0.00 0.00 175.10 172.34 2ptu s ASN 101 N 1.33 5.30 -0.40 0.00 0.01 -1.26 -0.77 114.94 119.15 2ptu s ASN 101 Ca 0.05 -0.10 -0.05 0.00 -0.71 0.00 0.00 52.86 52.04 2ptu s ASN 101 Cb -0.15 -1.93 0.10 0.00 0.41 0.00 0.00 41.25 39.68 2ptu s ASN 101 CO 0.02 0.04 0.20 -0.54 -1.51 0.00 0.00 177.10 175.32 2ptu s LYS 102 N 1.15 2.23 0.16 -0.60 -0.14 0.11 -4.48 119.74 118.16 2ptu s LYS 102 Ca 0.04 -1.67 -0.21 0.00 -1.36 0.00 0.00 55.97 52.78 2ptu s LYS 102 Cb -0.14 -3.61 -0.08 0.00 -1.68 0.00 0.00 37.83 32.32 2ptu s LYS 102 CO 0.03 -1.00 0.68 -0.80 -0.76 0.00 0.00 175.35 173.50 2ptu s ASN 103 N 1.90 7.13 -0.01 2.83 0.01 -1.26 -0.81 114.94 124.73 2ptu s ASN 103 Ca 0.05 1.41 0.02 0.00 -0.71 0.00 0.00 52.86 53.62 2ptu s ASN 103 Cb -0.23 -2.41 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 2ptu s ASN 103 CO -0.02 0.16 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.31 2ptu s PHE 104 N -1.30 0.52 -0.27 2.20 0.08 -0.19 -2.05 117.98 116.97 2ptu s PHE 104 Ca 0.36 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.30 2ptu s PHE 104 Cb -0.19 -0.35 0.04 0.00 -0.57 0.00 0.00 43.02 41.95 2ptu s PHE 104 CO 0.22 -0.02 -0.04 -1.14 -0.10 0.00 0.00 175.22 174.14 2ptu s GLN 105 N -0.07 2.57 -0.19 0.44 2.00 0.20 -0.92 119.66 123.68 2ptu s GLN 105 Ca 0.01 -1.16 -0.14 0.00 -2.00 0.00 0.00 55.36 52.08 2ptu s GLN 105 Cb -0.03 -3.07 -0.04 0.00 0.80 0.00 0.00 33.01 30.67 2ptu s GLN 105 CO -0.00 -0.53 0.30 -1.17 -0.50 0.00 0.00 175.29 173.39 2ptu s LEU 106 N 1.26 4.18 -0.15 3.68 2.96 -0.17 -0.21 118.68 130.24 2ptu s LEU 106 Ca -0.03 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 2ptu s LEU 106 Cb -0.19 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.16 2ptu s LEU 106 CO -0.03 0.03 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.59 2ptu s LEU 107 N 0.91 2.12 -0.15 -0.68 2.96 0.39 -1.50 118.68 122.73 2ptu s LEU 107 Ca 0.15 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2ptu s LEU 107 Cb -0.14 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2ptu s LEU 107 CO 0.05 0.05 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.47 2ptu s ILE 108 N 0.97 3.87 -0.16 6.68 -1.09 -1.26 0.33 121.20 130.53 2ptu s ILE 108 Ca -0.03 -0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 57.98 2ptu s ILE 108 Cb -0.15 -2.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 2ptu s ILE 108 CO -0.05 0.50 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.36 2ptu s LEU 109 N 0.33 3.28 0.00 2.97 1.02 -0.04 -4.77 118.68 121.46 2ptu s LEU 109 Ca -0.04 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 53.99 2ptu s LEU 109 Cb -0.14 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.27 2ptu s LEU 109 CO 0.03 0.16 0.00 0.47 0.02 0.00 0.00 176.35 177.03