#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptu s PRO 4 N 0.00 4.54 0.35 0.00 0.02 -1.26 -4.79 135.00 133.86 2ptu s PRO 4 Ca 0.00 1.39 -0.28 0.00 0.02 0.00 0.00 61.00 62.13 2ptu s PRO 4 Cb 0.00 -2.80 -0.12 0.00 0.02 0.00 0.00 34.50 31.60 2ptu s PRO 4 CO 0.00 0.22 1.35 -0.25 -0.33 0.00 0.00 177.00 177.99 2ptu n ASP 5 N 0.54 3.06 -4.08 2.53 9.92 -1.26 -4.82 116.55 122.44 2ptu n ASP 5 Ca 0.02 1.21 -0.09 0.00 -0.53 0.00 0.00 54.79 55.40 2ptu n ASP 5 Cb 0.50 -1.52 -0.10 0.00 -0.64 0.00 0.00 41.12 39.35 2ptu n ASP 5 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2ptu s SER 6 N -0.25 0.62 -0.00 -2.24 0.01 -0.45 -5.02 113.70 106.37 2ptu s SER 6 Ca 0.55 -0.81 0.06 0.00 1.31 0.00 0.00 55.95 57.06 2ptu s SER 6 Cb -0.54 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 2ptu s SER 6 CO 0.63 -0.44 -0.18 -0.44 0.41 0.00 0.00 173.24 173.21 2ptu s SER 7 N -2.38 2.17 0.02 2.44 0.01 -1.26 -0.81 113.70 113.89 2ptu s SER 7 Ca -0.00 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 56.94 2ptu s SER 7 Cb 0.00 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 2ptu s SER 7 CO -0.05 0.21 -0.13 -0.70 0.41 0.00 0.00 173.24 172.98 2ptu s GLU 8 N -0.55 0.89 -0.22 12.44 2.12 0.65 -4.94 118.70 129.09 2ptu s GLU 8 Ca 0.07 -0.62 -0.07 0.00 0.36 0.00 0.00 54.97 54.71 2ptu s GLU 8 Cb -0.07 -0.87 -0.03 0.00 0.26 0.00 0.00 34.13 33.41 2ptu s GLU 8 CO -0.00 0.22 0.05 -1.21 -0.54 0.00 0.00 175.26 173.78 2ptu s GLU 9 N -0.84 3.71 -0.08 4.30 2.02 -1.26 0.39 118.70 126.93 2ptu s GLU 9 Ca 0.02 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.59 2ptu s GLU 9 Cb -0.07 -3.25 -0.00 0.00 0.10 0.00 0.00 34.13 30.91 2ptu s GLU 9 CO 0.01 -0.05 -0.23 0.08 0.02 0.00 0.00 175.26 175.08 2ptu s VAL 10 N 1.22 1.98 -0.22 2.63 1.01 0.19 -4.94 120.40 122.28 2ptu s VAL 10 Ca 0.04 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 2ptu s VAL 10 Cb -0.14 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2ptu s VAL 10 CO 0.03 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.12 2ptu s VAL 11 N 0.19 5.34 0.30 2.92 1.01 -1.26 0.03 120.40 128.92 2ptu s VAL 11 Ca -0.13 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.13 2ptu s VAL 11 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2ptu s VAL 11 CO 0.07 0.40 -0.15 -0.83 0.00 0.00 0.00 175.10 174.59 2ptu s GLY 12 N 0.68 1.97 -0.15 4.51 0.00 0.25 -4.93 107.32 109.64 2ptu s GLY 12 Ca 0.07 -1.93 -0.01 0.00 0.00 0.00 0.00 44.72 42.86 2ptu s GLY 12 CO 0.01 -1.97 -0.12 0.14 0.00 0.00 0.00 173.10 171.16 2ptu s VAL 13 N -2.53 3.01 0.33 1.40 1.01 -1.26 0.30 120.40 122.66 2ptu s VAL 13 Ca 0.31 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 2ptu s VAL 13 Cb -0.03 -2.29 -0.14 0.00 0.00 0.00 0.00 36.38 33.92 2ptu s VAL 13 CO 0.16 0.50 0.61 -0.24 0.00 0.00 0.00 175.10 176.13 2ptu n SER 14 N 3.92 -0.65 -0.76 3.32 2.88 -0.41 -1.63 113.62 120.30 2ptu n SER 14 Ca -0.18 1.02 -0.09 0.00 -1.33 0.00 0.00 58.87 58.29 2ptu n SER 14 Cb 0.52 -1.09 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 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 1.76 0.87 3.61 0.46 0.00 0.59 -4.86 105.19 107.63 2ptu n GLY 15 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.65 2.15 0.57 1.61 -0.14 -0.64 -4.68 119.74 115.96 2ptu s LYS 16 Ca 0.00 -1.54 -0.18 0.00 -1.36 0.00 0.00 55.97 52.89 2ptu s LYS 16 Cb 0.00 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 2ptu s LYS 16 CO 0.00 0.31 1.12 -1.25 -0.76 0.00 0.00 175.35 174.77 2ptu s PRO 17 N -3.66 3.23 -0.06 -1.68 0.04 -1.24 0.27 135.00 131.90 2ptu s PRO 17 Ca 0.32 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.90 2ptu s PRO 17 Cb -0.05 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.51 2ptu s PRO 17 CO 0.19 -0.93 -0.11 0.54 0.04 0.00 0.00 177.00 176.73 2ptu s VAL 18 N -1.96 1.04 -0.20 -0.36 0.11 -0.69 -4.81 120.40 113.53 2ptu s VAL 18 Ca 0.71 -0.42 -0.13 0.00 -2.93 0.00 0.00 61.98 59.21 2ptu s VAL 18 Cb -0.22 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 2ptu s VAL 18 CO 0.31 0.33 0.27 -1.10 -3.33 0.00 0.00 175.10 171.59 2ptu s GLN 19 N 0.74 4.17 -0.66 1.54 -1.52 -1.26 -0.20 119.66 122.48 2ptu s GLN 19 Ca -0.13 -0.00 -0.10 0.00 -1.95 0.00 0.00 55.36 53.18 2ptu s GLN 19 Cb -0.15 -3.49 0.17 0.00 -0.22 0.00 0.00 33.01 29.31 2ptu s GLN 19 CO 0.03 0.11 0.55 -0.51 -0.25 0.00 0.00 175.29 175.21 2ptu s LEU 20 N 0.89 6.02 -0.27 2.90 1.43 0.33 -5.01 118.68 124.97 2ptu s LEU 20 Ca 0.14 -2.47 -0.09 0.00 -1.03 0.00 0.00 54.13 50.68 2ptu s LEU 20 Cb -0.13 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2ptu s LEU 20 CO 0.05 -0.57 0.12 -0.60 0.23 0.00 0.00 176.35 175.58 2ptu s ARG 21 N 0.51 3.74 0.44 1.70 3.52 -1.26 -2.14 118.95 125.46 2ptu s ARG 21 Ca 0.13 -0.44 -0.22 0.00 -0.13 0.00 0.00 55.73 55.08 2ptu s ARG 21 Cb -0.19 -3.47 -0.09 0.00 -1.56 0.00 0.00 34.95 29.64 2ptu s ARG 21 CO -0.04 -0.20 1.01 -1.25 -0.81 0.00 0.00 175.30 174.00 2ptu s PRO 22 N 1.67 4.07 0.36 5.12 0.04 -1.26 -5.05 135.00 139.94 2ptu s PRO 22 Ca 0.06 1.32 0.08 0.00 0.04 0.00 0.00 61.00 62.51 2ptu s PRO 22 Cb -0.16 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 2ptu s PRO 22 CO 0.07 -0.20 -0.04 -1.54 0.04 0.00 0.00 177.00 175.33 2ptu s SER 23 N -1.91 3.56 -0.93 6.66 1.04 -1.26 -4.87 113.70 115.99 2ptu s SER 23 Ca 0.62 -1.28 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 2ptu s SER 23 Cb -0.16 -0.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.63 2ptu s SER 23 CO 0.20 -0.35 0.73 0.59 0.98 0.00 0.00 173.24 175.39 2ptu n ASN 24 N -0.83 -6.13 -4.20 7.02 5.03 -1.26 -4.94 115.26 109.95 2ptu n ASN 24 Ca -0.05 -0.68 -0.13 0.00 0.87 0.00 0.00 54.58 54.60 2ptu n ASN 24 Cb 0.65 -3.74 -0.10 0.00 -1.02 0.00 0.00 39.78 35.57 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 -3.19 0.94 -0.11 2.41 -4.36 -1.26 -3.60 121.20 112.03 2ptu s ILE 25 Ca 0.21 -1.88 -0.12 0.00 -0.26 0.00 0.00 60.65 58.59 2ptu s ILE 25 Cb -0.07 -1.64 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 2ptu s ILE 25 CO 0.82 -0.73 0.29 -1.58 0.24 0.00 0.00 174.94 173.98 2ptu s GLN 26 N -3.46 3.98 -0.00 0.37 0.74 -1.26 -4.87 119.66 115.15 2ptu s GLN 26 Ca 0.11 0.12 0.08 0.00 0.05 0.00 0.00 55.36 55.73 2ptu s GLN 26 Cb 0.02 -3.32 -0.11 0.00 1.10 0.00 0.00 33.01 30.70 2ptu s GLN 26 CO -0.01 0.48 0.28 0.25 -0.55 0.00 0.00 175.29 175.74 2ptu n THR 27 N 2.74 0.00 -3.74 -0.34 -2.24 -1.26 -4.91 114.28 104.53 2ptu n THR 27 Ca -0.14 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 2ptu n THR 27 Cb 0.53 0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.11 4.12 -1.21 -0.78 1.02 -1.26 -4.49 119.74 115.03 2ptu s LYS 28 Ca 0.01 -0.21 -0.03 0.00 0.02 0.00 0.00 55.97 55.75 2ptu s LYS 28 Cb 0.06 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 2ptu s LYS 28 CO 0.34 0.35 0.85 -0.25 -0.92 0.00 0.00 175.35 175.71 2ptu n ASP 29 N 3.37 -2.79 -4.30 2.83 9.92 -1.26 -5.01 116.55 119.32 2ptu n ASP 29 Ca -0.16 -0.75 -0.16 0.00 -0.53 0.00 0.00 54.79 53.19 2ptu n ASP 29 Cb 0.52 -4.56 -0.10 0.00 -0.64 0.00 0.00 41.12 36.34 2ptu n ASP 29 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2ptu s VAL 30 N -3.50 0.77 -0.04 2.53 -7.23 -1.26 -4.00 120.40 107.67 2ptu s VAL 30 Ca 0.12 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2ptu s VAL 30 Cb -0.03 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2ptu s VAL 30 CO 0.78 -0.27 -0.24 -0.94 -0.31 0.00 0.00 175.10 174.11 2ptu s SER 31 N -3.27 3.18 -0.07 4.85 1.04 -0.01 -4.92 113.70 114.51 2ptu s SER 31 Ca 0.30 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.33 2ptu s SER 31 Cb 0.07 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.61 2ptu s SER 31 CO 0.09 0.30 -0.23 -0.69 0.98 0.00 0.00 173.24 173.68 2ptu s VAL 32 N -0.47 1.96 -0.03 5.02 1.01 -0.81 -1.36 120.40 125.71 2ptu s VAL 32 Ca 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2ptu s VAL 32 Cb -0.11 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2ptu s VAL 32 CO 0.01 0.54 -0.04 -1.10 0.00 0.00 0.00 175.10 174.51 2ptu s GLN 33 N 0.04 0.69 -0.16 2.72 -0.21 -0.45 -0.65 119.66 121.65 2ptu s GLN 33 Ca -0.09 -0.10 -0.03 0.00 0.02 0.00 0.00 55.36 55.17 2ptu s GLN 33 Cb -0.15 -0.72 -0.02 0.00 1.00 0.00 0.00 33.01 33.12 2ptu s GLN 33 CO 0.05 -0.05 -0.06 -1.58 -2.12 0.00 0.00 175.29 171.53 2ptu s TRP 34 N 0.73 2.95 0.15 0.91 0.52 -0.22 -0.68 118.94 123.30 2ptu s TRP 34 Ca -0.09 -0.48 0.05 0.00 0.02 0.00 0.00 56.10 55.60 2ptu s TRP 34 Cb -0.12 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 2ptu s TRP 34 CO -0.00 -0.16 -0.12 0.15 0.02 0.00 0.00 176.95 176.85 2ptu s LYS 35 N 0.52 1.08 -0.01 4.98 1.02 -0.40 -0.26 119.74 126.67 2ptu s LYS 35 Ca -0.05 -1.41 0.04 0.00 0.02 0.00 0.00 55.97 54.57 2ptu s LYS 35 Cb -0.15 -0.75 -0.01 0.00 -0.52 0.00 0.00 37.83 36.40 2ptu s LYS 35 CO 0.03 0.11 -0.13 0.21 -0.92 0.00 0.00 175.35 174.66 2ptu s LYS 36 N -3.45 1.08 0.69 1.68 2.20 0.05 -1.60 119.74 120.38 2ptu s LYS 36 Ca 0.15 -0.46 -0.15 0.00 -0.36 0.00 0.00 55.97 55.16 2ptu s LYS 36 Cb 0.00 -1.03 0.02 0.00 -1.51 0.00 0.00 37.83 35.30 2ptu s LYS 36 CO 0.02 0.26 1.14 0.99 -0.36 0.00 0.00 175.35 177.40 2ptu s THR 37 N -0.24 2.96 -0.57 3.43 2.01 0.04 0.81 115.64 124.07 2ptu s THR 37 Ca 0.04 0.45 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 2ptu s THR 37 Cb -0.06 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2ptu s THR 37 CO -0.00 -0.27 0.48 -0.62 -0.69 0.00 0.00 174.62 173.51 2ptu n GLU 38 N -2.56 -3.20 -1.95 4.92 -0.58 -1.26 -4.65 120.64 111.37 2ptu n GLU 38 Ca 0.11 0.40 -0.37 0.00 -0.42 0.00 0.00 57.16 56.88 2ptu n GLU 38 Cb 0.51 -4.10 -0.03 0.00 -0.57 0.00 0.00 31.44 27.26 2ptu n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2ptu s LYS 44 N -4.73 2.51 -0.31 3.49 1.02 -1.26 -5.19 119.74 115.27 2ptu s LYS 44 Ca 0.03 0.73 -0.17 0.00 0.02 0.00 0.00 55.97 56.57 2ptu s LYS 44 Cb -0.01 -4.45 -0.02 0.00 -0.52 0.00 0.00 37.83 32.83 2ptu s LYS 44 CO 0.35 -2.87 0.46 0.42 -0.92 0.00 0.00 175.35 172.78 2ptu s ILE 45 N 9.75 5.08 0.02 2.17 1.01 0.24 -4.93 121.20 134.55 2ptu s ILE 45 Ca 0.73 0.47 -0.26 0.00 0.00 0.00 0.00 60.65 61.59 2ptu s ILE 45 Cb -0.13 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2ptu s ILE 45 CO 0.21 -0.05 0.82 -1.83 0.00 0.00 0.00 174.94 174.09 2ptu s GLU 46 N 2.25 4.53 -0.26 2.79 -1.05 -1.26 -0.77 118.70 124.92 2ptu s GLU 46 Ca 0.17 1.15 -0.12 0.00 -0.15 0.00 0.00 54.97 56.03 2ptu s GLU 46 Cb -0.16 -3.40 -0.12 0.00 -0.44 0.00 0.00 34.13 30.02 2ptu s GLU 46 CO 0.11 0.16 -0.33 -0.89 0.95 0.00 0.00 175.26 175.27 2ptu n ILE 47 N 3.21 1.43 -3.77 1.83 5.41 0.64 -4.54 119.36 123.57 2ptu n ILE 47 Ca 0.00 -0.38 -0.13 0.00 1.00 0.00 0.00 62.75 63.24 2ptu n ILE 47 Cb 0.50 -1.81 -0.10 0.00 -0.71 0.00 0.00 39.64 37.52 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 -7.33 0.87 -0.01 1.39 0.20 -1.05 -1.79 118.68 110.97 2ptu s LEU 48 Ca -0.36 0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.91 2ptu s LEU 48 Cb 0.14 1.10 -0.01 0.00 -0.43 0.00 0.00 46.19 46.99 2ptu s LEU 48 CO 0.47 -0.23 -0.12 0.20 -0.29 0.00 0.00 176.35 176.39 2ptu s ASN 49 N -0.38 1.37 -0.31 3.68 0.01 -0.95 -1.06 114.94 117.31 2ptu s ASN 49 Ca -0.05 -0.21 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 2ptu s ASN 49 Cb -0.03 -0.16 0.09 0.00 0.41 0.00 0.00 41.25 41.56 2ptu s ASN 49 CO 0.02 0.14 0.05 0.86 -1.51 0.00 0.00 177.10 176.66 2ptu s TRP 50 N -0.26 2.63 0.00 2.20 -0.11 0.18 -1.26 118.94 122.32 2ptu s TRP 50 Ca 0.04 -2.23 0.00 0.00 1.22 0.00 0.00 56.10 55.13 2ptu s TRP 50 Cb -0.05 -2.16 0.00 0.00 -1.50 0.00 0.00 33.47 29.77 2ptu s TRP 50 CO -0.00 -0.88 0.00 0.66 -4.62 0.00 0.00 176.95 172.10 2ptu n TYR 51 N 4.58 0.00 0.30 5.86 4.02 -1.25 -1.93 117.16 128.75 2ptu n TYR 51 Ca -0.02 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.07 2ptu n TYR 51 Cb 0.42 0.00 0.97 0.00 -0.02 0.00 0.00 39.34 40.72 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 -0.39 7.72 -1.07 -1.98 -2.93 115.58 116.92 2ptu h ASN 52 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2ptu h ASN 52 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2ptu h ASN 52 CO 0.00 0.00 0.00 0.47 0.07 0.00 0.00 177.43 177.97 2ptu n ASP 53 N -2.89 4.56 0.00 6.14 10.43 -1.26 -5.08 116.55 128.45 2ptu n ASP 53 Ca -0.02 -2.94 0.00 0.00 2.57 0.00 0.00 54.79 54.41 2ptu n ASP 53 Cb 0.12 -0.59 0.00 0.00 1.84 0.00 0.00 41.12 42.49 2ptu n ASP 53 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ptu n GLY 54 N -0.01 -0.42 3.77 0.44 0.00 -1.11 -4.94 105.19 102.91 2ptu n GLY 54 Ca 0.24 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.85 4.12 -0.06 1.61 0.04 -1.26 -3.78 135.00 133.83 2ptu s PRO 55 Ca 0.00 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 2ptu s PRO 55 Cb 0.00 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.78 2ptu s PRO 55 CO 0.00 -0.30 0.27 -1.54 0.04 0.00 0.00 177.00 175.47 2ptu s SER 56 N -0.95 -0.20 0.64 6.66 1.04 -0.39 -4.98 113.70 115.51 2ptu s SER 56 Ca 0.55 0.27 -0.14 0.00 0.48 0.00 0.00 55.95 57.11 2ptu s SER 56 Cb -0.33 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 2ptu s SER 56 CO 0.43 -0.26 1.07 0.26 0.98 0.00 0.00 173.24 175.72 2ptu s TRP 57 N -0.61 2.88 -0.39 5.02 0.52 -1.26 -2.23 118.94 122.86 2ptu s TRP 57 Ca -0.07 1.51 0.23 0.00 0.02 0.00 0.00 56.10 57.78 2ptu s TRP 57 Cb -0.04 -3.03 -0.06 0.00 -1.15 0.00 0.00 33.47 29.19 2ptu s TRP 57 CO 0.02 -1.34 0.90 0.43 0.02 0.00 0.00 176.95 176.98 2ptu n SER 58 N -2.45 0.54 -4.18 2.95 7.64 -0.74 -4.84 113.62 112.54 2ptu n SER 58 Ca 0.09 -0.04 -0.25 0.00 1.01 0.00 0.00 58.87 59.68 2ptu n SER 58 Cb 0.53 0.98 -0.15 0.00 -1.01 0.00 0.00 64.21 64.55 2ptu n SER 58 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2ptu s ASN 59 N -4.42 2.14 0.38 6.43 0.01 -1.26 -5.04 114.94 113.18 2ptu s ASN 59 Ca 0.00 -0.33 0.08 0.00 -0.71 0.00 0.00 52.86 51.90 2ptu s ASN 59 Cb 0.13 -0.24 0.75 0.00 0.41 0.00 0.00 41.25 42.30 2ptu s ASN 59 CO 0.82 0.22 1.91 0.58 -1.51 0.00 0.00 177.10 179.13 2ptu h VAL 60 N 4.68 1.18 0.00 1.60 2.07 -2.00 -2.10 116.25 121.68 2ptu h VAL 60 Ca -0.37 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2ptu h VAL 60 Cb 1.15 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2ptu h VAL 60 CO 0.48 0.24 -0.02 0.77 0.02 0.00 0.00 177.57 179.06 2ptu h SER 61 N 0.31 0.00 0.40 0.57 4.64 -2.00 -3.25 113.55 114.21 2ptu h SER 61 Ca 0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2ptu h SER 61 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2ptu h SER 61 CO 0.02 0.02 -0.04 -0.26 -0.87 0.00 0.00 176.83 175.69 2ptu h PHE 62 N 0.00 0.00 0.00 4.77 0.05 -1.79 -1.60 116.94 118.37 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 0.09 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.04 2ptu h PHE 62 CO 0.00 0.04 0.00 0.66 -0.18 0.00 0.00 178.31 178.83 2ptu h SER 63 N 0.00 0.00 0.72 2.17 4.64 -1.77 0.25 113.55 119.56 2ptu h SER 63 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2ptu h SER 63 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 2ptu h SER 63 CO 0.01 0.00 -1.39 0.44 -0.87 0.00 0.00 176.83 175.01 2ptu h ASP 64 N 0.00 0.00 0.04 4.97 3.32 -1.55 -3.39 116.42 119.81 2ptu h ASP 64 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2ptu h ASP 64 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2ptu h ASP 64 CO 0.00 0.94 -1.38 0.40 -1.72 0.00 0.00 179.24 177.48 2ptu h ILE 65 N 0.00 0.91 -3.14 0.35 2.04 -1.46 -3.45 117.51 112.75 2ptu h ILE 65 Ca -0.17 -2.25 -0.64 0.00 1.00 0.00 0.00 64.86 62.80 2ptu h ILE 65 Cb 1.87 2.40 -0.16 0.00 -0.74 0.00 0.00 36.82 40.19 2ptu h ILE 65 CO 0.09 0.50 -0.76 -0.31 0.00 0.00 0.00 178.15 177.68 2ptu s TYR 66 N -2.41 2.55 0.30 1.37 2.02 0.84 -1.21 117.35 120.81 2ptu s TYR 66 Ca -0.26 -0.26 0.10 0.00 -0.37 0.00 0.00 57.07 56.29 2ptu s TYR 66 Cb 0.05 -1.26 -0.05 0.00 -0.40 0.00 0.00 41.96 40.30 2ptu s TYR 66 CO 0.66 0.49 -0.07 0.20 -1.57 0.00 0.00 175.55 175.26 2ptu s GLY 67 N -2.70 1.89 -0.07 0.71 0.00 -0.16 -4.58 107.32 102.41 2ptu s GLY 67 Ca 0.23 -1.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.07 2ptu s GLY 67 CO 0.13 -1.88 0.15 -0.12 0.00 0.00 0.00 173.10 171.39 2ptu s PHE 68 N -2.46 -0.17 -0.21 1.90 5.36 -1.26 -1.47 117.98 119.67 2ptu s PHE 68 Ca 0.32 0.54 -0.19 0.00 -0.96 0.00 0.00 56.93 56.64 2ptu s PHE 68 Cb -0.03 -0.18 -0.03 0.00 -0.34 0.00 0.00 43.02 42.44 2ptu s PHE 68 CO 0.18 -0.22 0.55 0.34 -1.46 0.00 0.00 175.22 174.61 2ptu s ASP 69 N 1.73 6.56 0.13 6.13 3.68 -0.37 -4.97 116.67 129.56 2ptu s ASP 69 Ca -0.03 0.68 -0.08 0.00 2.13 0.00 0.00 52.55 55.24 2ptu s ASP 69 Cb -0.12 -2.30 -0.06 0.00 -1.45 0.00 0.00 42.92 38.99 2ptu s ASP 69 CO -0.06 -0.23 1.37 1.88 0.13 0.00 0.00 175.17 178.26 2ptu h TYR 70 N 7.60 0.89 -0.33 -5.34 0.99 -1.95 -0.59 116.97 118.24 2ptu h TYR 70 Ca -0.32 -0.38 -0.10 0.00 2.00 0.00 0.00 58.73 59.93 2ptu h TYR 70 Cb 1.15 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.72 2ptu h TYR 70 CO 0.72 1.18 -0.18 0.78 -0.00 0.00 0.00 178.16 180.66 2ptu h GLY 71 N 0.83 0.77 0.00 3.88 0.00 -1.99 -3.36 103.07 103.19 2ptu h GLY 71 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2ptu h GLY 71 CO 0.14 0.64 0.00 2.09 0.00 0.00 0.00 176.54 179.41 2ptu n ASP 72 N -4.33 1.28 0.00 0.19 5.68 -1.25 -4.89 116.55 113.23 2ptu n ASP 72 Ca -0.03 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 2ptu n ASP 72 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.24 0.00 -1.68 2.11 3.72 -0.23 -4.58 117.46 116.56 2ptu n PHE 73 Ca 0.00 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 2ptu n PHE 73 Cb 0.20 -0.82 -0.04 0.00 -0.94 0.00 0.00 39.48 37.88 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 1.47 -2.72 4.37 0.00 -1.24 -4.71 120.51 118.68 2ptu n ALA 74 Ca 0.00 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 2ptu n ALA 74 Cb 0.14 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.10 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 1.87 4.27 -0.01 0.00 2.96 -0.91 -1.24 118.68 125.62 2ptu s LEU 75 Ca 0.82 0.67 0.07 0.00 -0.22 0.00 0.00 54.13 55.47 2ptu s LEU 75 Cb -0.64 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 2ptu s LEU 75 CO 0.40 0.06 -0.22 -0.94 -1.32 0.00 0.00 176.35 174.33 2ptu s SER 76 N 0.50 2.57 -0.21 3.68 1.04 -0.54 -0.51 113.70 120.22 2ptu s SER 76 Ca 0.21 -0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.06 2ptu s SER 76 Cb -0.14 -0.28 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2ptu s SER 76 CO 0.07 0.26 0.43 -0.63 0.98 0.00 0.00 173.24 174.34 2ptu s ILE 77 N -0.55 5.17 0.11 -1.02 1.01 0.73 -0.99 121.20 125.65 2ptu s ILE 77 Ca 0.08 0.75 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 2ptu s ILE 77 Cb -0.08 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2ptu s ILE 77 CO -0.00 0.22 1.55 0.11 0.00 0.00 0.00 174.94 176.81 2ptu h LYS 78 N 7.52 0.60 -2.82 2.79 1.57 -1.46 -1.83 116.57 122.94 2ptu h LYS 78 Ca -0.35 -0.20 -0.46 0.00 -1.87 0.00 0.00 60.65 57.78 2ptu h LYS 78 Cb 1.16 -0.05 -0.39 0.00 0.08 0.00 0.00 32.23 33.02 2ptu h LYS 78 CO 0.71 0.73 -0.74 0.45 -0.57 0.00 0.00 179.45 180.03 2ptu s SER 79 N -6.11 2.67 0.34 0.86 0.15 -1.26 -3.62 113.70 106.73 2ptu s SER 79 Ca -0.13 -0.85 -0.29 0.00 0.70 0.00 0.00 55.95 55.38 2ptu s SER 79 Cb 0.09 -0.16 -0.10 0.00 -1.71 0.00 0.00 66.02 64.13 2ptu s SER 79 CO 0.78 -0.39 1.36 0.00 1.20 0.00 0.00 173.24 176.19 2ptu s ALA 80 N 2.16 3.52 0.09 5.45 0.00 0.14 -4.68 121.76 128.45 2ptu s ALA 80 Ca 0.06 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.39 2ptu s ALA 80 Cb -0.16 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2ptu s ALA 80 CO -0.22 -0.77 -0.06 -1.59 0.00 0.00 0.00 175.76 173.12 2ptu s LYS 81 N -1.83 0.82 0.39 0.00 -2.85 -1.26 0.22 119.74 115.23 2ptu s LYS 81 Ca 0.50 -1.33 0.19 0.00 -1.00 0.00 0.00 55.97 54.34 2ptu s LYS 81 Cb -0.42 -0.16 1.14 0.00 -2.06 0.00 0.00 37.83 36.34 2ptu s LYS 81 CO 0.56 -0.03 1.72 -0.07 0.10 0.00 0.00 175.35 177.63 2ptu h LEU 82 N 2.98 0.44 0.00 2.77 4.07 -1.95 0.79 115.31 124.40 2ptu h LEU 82 Ca -0.35 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2ptu h LEU 82 Cb 1.16 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2ptu h LEU 82 CO 0.65 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 178.01 2ptu n GLN 83 N -4.72 0.09 0.19 1.13 10.64 -1.26 -2.76 117.38 120.69 2ptu n GLN 83 Ca 0.29 0.17 0.07 0.00 -1.83 0.00 0.00 57.00 55.69 2ptu n GLN 83 Cb 0.99 -1.50 0.26 0.00 -0.86 0.00 0.00 30.24 29.13 2ptu n GLN 83 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2ptu h ASP 84 N 0.00 0.00 -2.55 2.61 3.32 0.20 -3.44 116.42 116.55 2ptu h ASP 84 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2ptu h ASP 84 Cb 0.26 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.94 2ptu h ASP 84 CO 0.00 0.32 -0.10 -1.20 -1.72 0.00 0.00 179.24 176.54 2ptu n SER 85 N -3.32 0.28 0.00 6.45 7.64 -1.11 -4.86 113.62 118.70 2ptu n SER 85 Ca 0.01 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.91 2ptu n SER 85 Cb 0.56 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.47 0.73 3.59 0.23 0.00 -0.65 -5.00 105.19 105.57 2ptu n GLY 86 Ca 0.11 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.61 3.22 0.05 1.61 5.65 -1.26 -1.74 115.29 121.21 2ptu s HIS 87 Ca 0.00 -0.01 0.06 0.00 0.25 0.00 0.00 55.06 55.37 2ptu s HIS 87 Cb 0.00 -2.18 -0.03 0.00 -1.18 0.00 0.00 32.58 29.18 2ptu s HIS 87 CO 0.00 -0.02 -0.14 0.71 -0.65 0.00 0.00 174.74 174.65 2ptu s TYR 88 N 0.94 2.67 -0.05 3.88 1.51 -0.25 -0.78 117.35 125.26 2ptu s TYR 88 Ca 0.05 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 2ptu s TYR 88 Cb -0.14 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.26 2ptu s TYR 88 CO 0.03 0.33 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.57 2ptu s LEU 89 N -1.68 1.36 -0.28 -1.29 2.96 -0.63 -1.07 118.68 118.05 2ptu s LEU 89 Ca 0.17 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.80 2ptu s LEU 89 Cb -0.11 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.99 2ptu s LEU 89 CO 0.08 -0.04 0.15 -0.22 -1.32 0.00 0.00 176.35 175.00 2ptu s LEU 90 N 0.95 3.92 -0.23 -0.68 0.20 0.16 -1.27 118.68 121.72 2ptu s LEU 90 Ca -0.10 -0.22 -0.10 0.00 0.69 0.00 0.00 54.13 54.39 2ptu s LEU 90 Cb -0.14 -2.04 -0.05 0.00 -0.43 0.00 0.00 46.19 43.53 2ptu s LEU 90 CO 0.00 -0.10 0.15 -1.61 -0.29 0.00 0.00 176.35 174.50 2ptu s GLU 91 N 1.68 4.05 -0.26 1.98 2.02 0.15 -0.61 118.70 127.70 2ptu s GLU 91 Ca 0.06 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.75 2ptu s GLU 91 Cb -0.16 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.60 2ptu s GLU 91 CO 0.08 0.07 -0.05 0.42 0.02 0.00 0.00 175.26 175.80 2ptu s ILE 92 N 1.00 2.91 -0.12 -1.63 1.01 0.08 -1.34 121.20 123.12 2ptu s ILE 92 Ca 0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 2ptu s ILE 92 Cb -0.13 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2ptu s ILE 92 CO 0.04 0.14 -0.01 0.28 0.00 0.00 0.00 174.94 175.38 2ptu s THR 93 N 1.31 4.14 0.24 2.92 -1.32 -0.46 0.03 115.64 122.50 2ptu s THR 93 Ca -0.01 -0.29 0.04 0.00 -1.21 0.00 0.00 61.69 60.22 2ptu s THR 93 Cb -0.17 -2.77 0.04 0.00 -1.51 0.00 0.00 72.50 68.08 2ptu s THR 93 CO -0.04 0.55 0.31 -0.46 -2.21 0.00 0.00 174.62 172.78 2ptu n ASN 94 N 2.76 0.95 0.21 8.08 6.94 -0.95 -0.83 115.26 132.42 2ptu n ASN 94 Ca -0.18 -1.65 0.07 0.00 -0.02 0.00 0.00 54.58 52.81 2ptu n ASN 94 Cb 0.53 -0.16 0.47 0.00 -2.36 0.00 0.00 39.78 38.26 2ptu n ASN 94 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2ptu h THR 95 N 0.09 0.89 0.00 5.53 1.35 -1.92 -0.91 112.91 117.94 2ptu h THR 95 Ca -0.11 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 2ptu h THR 95 Cb 0.51 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2ptu h THR 95 CO 0.17 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 2ptu n GLY 96 N -0.26 -0.68 2.92 5.82 0.00 -1.26 -4.87 105.19 106.86 2ptu n GLY 96 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.19 0.76 3.66 -0.02 0.00 -0.35 -5.00 105.19 104.42 2ptu n GLY 97 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.18 4.17 0.04 1.61 1.02 -1.26 -4.79 119.74 120.35 2ptu s LYS 98 Ca 0.00 1.66 -0.21 0.00 0.02 0.00 0.00 55.97 57.43 2ptu s LYS 98 Cb 0.00 -3.81 -0.06 0.00 -0.52 0.00 0.00 37.83 33.44 2ptu s LYS 98 CO 0.00 -0.80 0.63 0.14 -0.92 0.00 0.00 175.35 174.41 2ptu s VAL 99 N 3.73 4.78 -0.13 3.17 -7.23 -1.26 -2.23 120.40 121.23 2ptu s VAL 99 Ca 0.57 1.34 0.03 0.00 -1.81 0.00 0.00 61.98 62.11 2ptu s VAL 99 Cb -0.22 -3.97 0.00 0.00 0.56 0.00 0.00 36.38 32.75 2ptu s VAL 99 CO 0.18 0.46 -0.21 0.00 -0.31 0.00 0.00 175.10 175.21 2ptu s ASN 101 N 0.63 4.65 -0.34 0.00 0.02 -1.26 -0.74 114.94 117.90 2ptu s ASN 101 Ca -0.11 -0.52 -0.08 0.00 -1.02 0.00 0.00 52.86 51.13 2ptu s ASN 101 Cb -0.16 -1.79 0.03 0.00 0.02 0.00 0.00 41.25 39.34 2ptu s ASN 101 CO 0.02 -0.08 0.14 -0.54 0.02 0.00 0.00 177.10 176.66 2ptu s LYS 102 N 1.48 2.84 -0.03 -0.60 -0.14 0.22 -1.35 119.74 122.17 2ptu s LYS 102 Ca 0.04 -1.04 -0.08 0.00 -1.36 0.00 0.00 55.97 53.53 2ptu s LYS 102 Cb -0.15 -3.55 -0.05 0.00 -1.68 0.00 0.00 37.83 32.40 2ptu s LYS 102 CO -0.01 -0.61 0.25 -0.80 -0.76 0.00 0.00 175.35 173.42 2ptu s ASN 103 N 1.49 6.50 -0.06 2.83 0.01 0.01 -0.67 114.94 125.05 2ptu s ASN 103 Ca 0.01 0.58 -0.01 0.00 -0.71 0.00 0.00 52.86 52.74 2ptu s ASN 103 Cb -0.19 -2.10 0.03 0.00 0.41 0.00 0.00 41.25 39.40 2ptu s ASN 103 CO 0.04 0.30 -0.01 -0.36 -1.51 0.00 0.00 177.10 175.56 2ptu s PHE 104 N -1.20 0.71 -0.34 2.20 0.08 -0.23 -0.26 117.98 118.93 2ptu s PHE 104 Ca 0.24 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 56.97 2ptu s PHE 104 Cb -0.13 -0.76 -0.00 0.00 -0.57 0.00 0.00 43.02 41.55 2ptu s PHE 104 CO 0.13 -0.29 0.22 -1.14 -0.10 0.00 0.00 175.22 174.04 2ptu s GLN 105 N 1.60 3.30 -0.19 0.44 2.00 0.16 -1.09 119.66 125.89 2ptu s GLN 105 Ca -0.00 -0.77 -0.07 0.00 -2.00 0.00 0.00 55.36 52.52 2ptu s GLN 105 Cb -0.13 -3.74 -0.04 0.00 0.80 0.00 0.00 33.01 29.90 2ptu s GLN 105 CO -0.04 -0.50 0.04 -1.17 -0.50 0.00 0.00 175.29 173.12 2ptu s LEU 106 N 1.66 3.64 -0.23 3.68 2.96 -0.71 0.54 118.68 130.23 2ptu s LEU 106 Ca 0.05 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2ptu s LEU 106 Cb -0.18 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2ptu s LEU 106 CO 0.09 0.14 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.98 2ptu s LEU 107 N 0.58 2.94 -0.25 -0.68 2.96 0.10 -1.63 118.68 122.70 2ptu s LEU 107 Ca 0.02 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.26 2ptu s LEU 107 Cb -0.13 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2ptu s LEU 107 CO 0.02 -0.05 0.38 -0.63 -1.32 0.00 0.00 176.35 174.75 2ptu s ILE 108 N 1.44 5.18 -0.17 6.68 -1.09 -1.26 0.84 121.20 132.82 2ptu s ILE 108 Ca 0.05 0.60 -0.17 0.00 -2.23 0.00 0.00 60.65 58.90 2ptu s ILE 108 Cb -0.15 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2ptu s ILE 108 CO -0.04 0.18 0.45 -0.76 -1.23 0.00 0.00 174.94 173.54 2ptu s LEU 109 N 1.89 4.20 0.00 2.97 1.02 0.15 -4.81 118.68 124.10 2ptu s LEU 109 Ca 0.16 0.66 0.00 0.00 0.02 0.00 0.00 54.13 54.97 2ptu s LEU 109 Cb -0.15 -2.62 0.00 0.00 0.02 0.00 0.00 46.19 43.44 2ptu s LEU 109 CO 0.09 -0.06 0.15 0.47 0.02 0.00 0.00 176.35 177.02