#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnh n THR 2 N 0.00 0.14 -3.43 2.03 -1.04 -1.26 -4.97 114.28 105.76 2pnh n THR 2 Ca 0.00 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.77 2pnh n THR 2 Cb 0.00 -1.85 -0.10 0.00 -1.82 0.00 0.00 70.33 66.56 2pnh n THR 2 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2pnh s ASN 3 N 1.70 2.13 -0.14 8.00 3.84 -1.26 -5.12 114.94 124.08 2pnh s ASN 3 Ca 0.80 -1.44 -0.04 0.00 0.21 0.00 0.00 52.86 52.38 2pnh s ASN 3 Cb -0.58 0.17 0.06 0.00 -0.55 0.00 0.00 41.25 40.35 2pnh s ASN 3 CO 0.37 -0.34 0.13 -0.60 -2.79 0.00 0.00 177.10 173.88 2pnh s ARG 4 N 1.72 0.07 -0.13 0.43 3.52 -1.26 -4.17 118.95 119.13 2pnh s ARG 4 Ca 0.14 0.18 -0.02 0.00 -0.13 0.00 0.00 55.73 55.91 2pnh s ARG 4 Cb -0.17 -1.18 -0.02 0.00 -1.56 0.00 0.00 34.95 32.02 2pnh s ARG 4 CO -0.16 -0.55 -0.07 -1.17 -0.81 0.00 0.00 175.30 172.53 2pnh s LEU 5 N 2.22 3.06 -0.21 -0.88 2.96 0.32 -4.99 118.68 121.16 2pnh s LEU 5 Ca 0.04 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2pnh s LEU 5 Cb -0.15 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.88 2pnh s LEU 5 CO -0.08 0.21 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.32 2pnh s VAL 6 N 0.09 2.02 -0.04 1.68 1.01 -1.26 -1.56 120.40 122.34 2pnh s VAL 6 Ca -0.03 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 2pnh s VAL 6 Cb -0.14 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2pnh s VAL 6 CO 0.03 0.27 0.01 -0.22 0.00 0.00 0.00 175.10 175.19 2pnh s LEU 7 N 1.24 0.80 0.04 3.92 2.96 0.52 -4.97 118.68 123.19 2pnh s LEU 7 Ca -0.01 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 2pnh s LEU 7 Cb -0.16 -0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 2pnh s LEU 7 CO -0.09 -0.16 0.21 -0.44 -1.32 0.00 0.00 176.35 174.55 2pnh s SER 8 N 1.53 6.37 0.00 3.68 0.01 -1.26 -0.19 113.70 123.83 2pnh s SER 8 Ca -0.03 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2pnh s SER 8 Cb -0.13 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2pnh s SER 8 CO -0.03 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2pnh n GLY 9 N 0.55 0.80 3.29 3.44 0.00 -0.67 -4.49 105.19 108.12 2pnh n GLY 9 Ca -0.07 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 2pnh n GLY 9 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pnh s THR 10 N -2.09 1.90 -0.03 2.61 -1.32 0.45 -2.01 115.64 115.15 2pnh s THR 10 Ca 0.00 -1.20 -0.30 0.00 -1.21 0.00 0.00 61.69 58.98 2pnh s THR 10 Cb 0.00 -1.62 -0.05 0.00 -1.51 0.00 0.00 72.50 69.32 2pnh s THR 10 CO 0.00 0.38 1.46 -0.69 -2.21 0.00 0.00 174.62 173.56 2pnh s VAL 11 N -0.71 3.72 -0.45 5.08 1.01 -0.62 0.06 120.40 128.49 2pnh s VAL 11 Ca 0.10 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.13 2pnh s VAL 11 Cb -0.09 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2pnh s VAL 11 CO 0.01 -0.04 0.52 0.00 0.00 0.00 0.00 175.10 175.59 2pnh s ARG 13 N -0.62 0.21 0.15 0.00 6.06 -1.24 -4.97 118.95 118.54 2pnh s ARG 13 Ca 0.04 -0.00 -0.34 0.00 -2.50 0.00 0.00 55.73 52.93 2pnh s ARG 13 Cb 0.03 -0.30 -0.14 0.00 0.06 0.00 0.00 34.95 34.60 2pnh s ARG 13 CO 0.08 -0.04 1.55 0.00 -2.50 0.00 0.00 175.30 174.40 2pnh n ALA 14 N 3.53 1.12 -1.78 6.12 0.00 -1.26 -3.97 120.51 124.27 2pnh n ALA 14 Ca -0.19 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 2pnh n ALA 14 Cb 0.55 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 2pnh n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pnh s PRO 15 N 0.89 4.21 -0.05 0.00 0.04 -1.26 -4.74 135.00 134.08 2pnh s PRO 15 Ca 0.79 2.43 0.03 0.00 0.04 0.00 0.00 61.00 64.29 2pnh s PRO 15 Cb -0.71 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2pnh s PRO 15 CO 0.39 -0.41 -0.14 -0.48 0.04 0.00 0.00 177.00 176.40 2pnh s LEU 16 N -1.81 1.80 -0.31 -3.56 0.05 0.64 -4.95 118.68 110.54 2pnh s LEU 16 Ca 0.52 -0.31 -0.19 0.00 0.05 0.00 0.00 54.13 54.20 2pnh s LEU 16 Cb -0.44 -0.86 -0.01 0.00 -2.05 0.00 0.00 46.19 42.83 2pnh s LEU 16 CO 0.58 0.09 0.58 -0.13 -0.55 0.00 0.00 176.35 176.92 2pnh s ARG 17 N 0.30 3.88 0.44 1.48 1.81 -1.26 -1.07 118.95 124.53 2pnh s ARG 17 Ca -0.08 0.21 0.07 0.00 -1.72 0.00 0.00 55.73 54.21 2pnh s ARG 17 Cb -0.13 -3.73 -0.02 0.00 -0.45 0.00 0.00 34.95 30.62 2pnh s ARG 17 CO 0.03 -0.54 0.32 0.15 -0.68 0.00 0.00 175.30 174.58 2pnh s LYS 18 N 2.50 2.39 -0.12 3.54 -0.14 -0.26 -4.97 119.74 122.68 2pnh s LYS 18 Ca 0.23 -1.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.14 2pnh s LYS 18 Cb -0.15 -2.21 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 2pnh s LYS 18 CO 0.12 -0.24 -0.11 0.08 -0.76 0.00 0.00 175.35 174.43 2pnh s VAL 19 N -2.56 1.28 0.53 3.17 1.01 -1.26 -2.02 120.40 120.55 2pnh s VAL 19 Ca 0.44 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 2pnh s VAL 19 Cb -0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 2pnh s VAL 19 CO 0.25 0.41 1.20 -0.94 0.00 0.00 0.00 175.10 176.02 2pnh s SER 20 N 1.42 5.64 0.53 3.32 1.04 0.23 -4.91 113.70 120.98 2pnh s SER 20 Ca 0.01 2.37 0.30 0.00 0.48 0.00 0.00 55.95 59.11 2pnh s SER 20 Cb -0.13 -2.60 1.66 0.00 0.10 0.00 0.00 66.02 65.05 2pnh s SER 20 CO -0.07 -1.28 1.92 -0.65 0.98 0.00 0.00 173.24 174.14 2pnh h PRO 21 N 1.42 0.00 -0.73 4.02 0.11 -2.01 -1.09 132.00 133.72 2pnh h PRO 21 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pnh h PRO 21 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2pnh h PRO 21 CO 0.57 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 2pnh n SER 22 N -2.68 3.37 0.00 -2.05 3.41 -1.26 -4.90 113.62 109.51 2pnh n SER 22 Ca -0.02 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 2pnh n SER 22 Cb 0.18 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2pnh n SER 22 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pnh n GLY 23 N 0.43 1.16 3.56 5.00 0.00 -0.41 -5.01 105.19 109.92 2pnh n GLY 23 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2pnh n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pnh s ILE 24 N -3.79 4.95 0.64 -0.61 1.01 -1.25 -4.89 121.20 117.27 2pnh s ILE 24 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 2pnh s ILE 24 Cb 0.00 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 2pnh s ILE 24 CO 0.00 -0.28 1.08 -2.16 0.00 0.00 0.00 174.94 173.58 2pnh s PRO 25 N 2.55 2.99 0.09 2.79 0.04 -1.26 -0.60 135.00 141.59 2pnh s PRO 25 Ca 0.21 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.42 2pnh s PRO 25 Cb -0.15 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2pnh s PRO 25 CO 0.14 -1.08 0.21 -3.38 0.04 0.00 0.00 177.00 172.92 2pnh s HIS 26 N -2.49 0.12 -0.15 0.56 -3.43 -0.86 -3.77 115.29 105.26 2pnh s HIS 26 Ca 0.64 -0.51 -0.00 0.00 -0.80 0.00 0.00 55.06 54.38 2pnh s HIS 26 Cb -0.18 -0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 30.93 2pnh s HIS 26 CO 0.42 -0.54 -0.13 0.00 -2.00 0.00 0.00 174.74 172.49 2pnh s GLN 28 N 0.71 2.70 0.31 0.00 -0.21 -0.23 -0.99 119.66 121.95 2pnh s GLN 28 Ca -0.06 -0.78 -0.10 0.00 0.02 0.00 0.00 55.36 54.44 2pnh s GLN 28 Cb -0.15 -2.34 0.01 0.00 1.00 0.00 0.00 33.01 31.53 2pnh s GLN 28 CO 0.02 0.44 0.55 -0.59 -2.12 0.00 0.00 175.29 173.58 2pnh s PHE 29 N -0.27 0.54 -0.09 0.91 -0.12 -0.99 -0.26 117.98 117.69 2pnh s PHE 29 Ca 0.01 -0.92 0.02 0.00 -0.05 0.00 0.00 56.93 55.99 2pnh s PHE 29 Cb -0.13 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 2pnh s PHE 29 CO 0.03 -1.16 -0.16 0.08 -0.05 0.00 0.00 175.22 173.95 2pnh s VAL 30 N -3.35 2.86 -0.19 -2.49 1.01 -1.25 -1.06 120.40 115.92 2pnh s VAL 30 Ca 0.23 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2pnh s VAL 30 Cb -0.02 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2pnh s VAL 30 CO 0.13 0.56 -0.07 -0.22 0.00 0.00 0.00 175.10 175.50 2pnh s LEU 31 N -0.15 2.82 -0.30 3.92 2.96 0.17 -1.73 118.68 126.37 2pnh s LEU 31 Ca -0.01 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.40 2pnh s LEU 31 Cb -0.14 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2pnh s LEU 31 CO 0.03 0.03 0.22 -0.70 -1.32 0.00 0.00 176.35 174.62 2pnh s GLU 32 N 1.14 3.81 -0.10 1.98 2.12 0.11 0.02 118.70 127.77 2pnh s GLU 32 Ca 0.01 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 54.91 2pnh s GLU 32 Cb -0.14 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 2pnh s GLU 32 CO -0.02 -0.27 0.03 -1.58 -0.54 0.00 0.00 175.26 172.88 2pnh s HIS 33 N 1.77 3.24 -0.18 5.30 5.65 0.74 -0.41 115.29 131.40 2pnh s HIS 33 Ca 0.07 0.22 -0.04 0.00 0.25 0.00 0.00 55.06 55.56 2pnh s HIS 33 Cb -0.16 -1.84 0.09 0.00 -1.18 0.00 0.00 32.58 29.48 2pnh s HIS 33 CO 0.11 0.47 0.29 0.50 -0.65 0.00 0.00 174.74 175.45 2pnh s ARG 34 N -0.76 0.21 0.18 2.88 3.52 -1.26 -1.56 118.95 122.16 2pnh s ARG 34 Ca 0.12 0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 56.26 2pnh s ARG 34 Cb -0.12 -0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.83 2pnh s ARG 34 CO 0.02 -0.45 0.19 -1.54 -0.81 0.00 0.00 175.30 172.71 2pnh s SER 35 N 2.43 0.14 -0.23 -2.12 1.04 -0.11 -5.02 113.70 109.84 2pnh s SER 35 Ca 0.05 -1.17 -0.09 0.00 0.48 0.00 0.00 55.95 55.22 2pnh s SER 35 Cb -0.14 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2pnh s SER 35 CO -0.11 -0.86 0.11 -0.69 0.98 0.00 0.00 173.24 172.67 2pnh s VAL 36 N -4.07 4.96 0.33 5.02 1.01 -1.26 -1.14 120.40 125.25 2pnh s VAL 36 Ca 0.28 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.38 2pnh s VAL 36 Cb 0.05 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2pnh s VAL 36 CO 0.06 0.37 -0.08 -1.10 0.00 0.00 0.00 175.10 174.36 2pnh s GLN 37 N 1.00 1.74 -0.17 2.72 -1.52 0.16 -4.96 119.66 118.64 2pnh s GLN 37 Ca 0.06 -1.90 -0.03 0.00 -1.95 0.00 0.00 55.36 51.54 2pnh s GLN 37 Cb -0.14 -1.52 -0.02 0.00 -0.22 0.00 0.00 33.01 31.11 2pnh s GLN 37 CO 0.03 0.09 -0.06 -2.00 -0.25 0.00 0.00 175.29 173.11 2pnh s GLU 38 N -3.66 3.52 -0.11 2.91 2.12 -1.26 0.82 118.70 123.04 2pnh s GLU 38 Ca 0.32 -0.59 -0.06 0.00 0.36 0.00 0.00 54.97 55.00 2pnh s GLU 38 Cb 0.03 -2.88 0.05 0.00 0.26 0.00 0.00 34.13 31.59 2pnh s GLU 38 CO 0.15 0.11 0.27 0.00 -0.54 0.00 0.00 175.26 175.25 2pnh s ALA 39 N 0.68 -0.64 -1.18 6.30 0.00 0.71 -4.88 121.76 122.76 2pnh s ALA 39 Ca -0.03 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2pnh s ALA 39 Cb -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2pnh s ALA 39 CO 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 175.76 175.62 2pnh n ALA 40 N 4.10 -0.77 -1.36 0.00 0.00 -1.26 -0.25 120.51 120.96 2pnh n ALA 40 Ca -0.24 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 2pnh n ALA 40 Cb 0.54 -1.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 2pnh n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnh n GLY 41 N -0.87 0.46 3.12 0.00 0.00 -1.26 -5.05 105.19 101.59 2pnh n GLY 41 Ca -0.15 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2pnh n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pnh s PHE 42 N -2.08 0.86 -0.38 1.61 0.40 0.65 -5.12 117.98 113.92 2pnh s PHE 42 Ca 0.00 -0.62 -0.25 0.00 -0.60 0.00 0.00 56.93 55.46 2pnh s PHE 42 Cb 0.00 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 43.05 2pnh s PHE 42 CO 0.00 -0.06 0.88 -1.01 0.70 0.00 0.00 175.22 175.73 2pnh s HIS 43 N -2.10 3.07 -0.11 0.36 3.76 -1.26 -0.21 115.29 118.80 2pnh s HIS 43 Ca -0.01 0.66 -0.05 0.00 -0.15 0.00 0.00 55.06 55.51 2pnh s HIS 43 Cb -0.05 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 29.99 2pnh s HIS 43 CO -0.01 -0.83 0.09 1.03 -0.85 0.00 0.00 174.74 174.17 2pnh s ARG 44 N 3.40 3.31 0.01 1.40 1.81 0.24 -4.93 118.95 124.19 2pnh s ARG 44 Ca 0.36 -0.23 -0.26 0.00 -1.72 0.00 0.00 55.73 53.88 2pnh s ARG 44 Cb -0.12 -3.06 -0.05 0.00 -0.45 0.00 0.00 34.95 31.28 2pnh s ARG 44 CO 0.19 0.73 0.82 -0.65 -0.68 0.00 0.00 175.30 175.71 2pnh s GLN 45 N -0.92 4.52 -0.13 3.54 -1.52 -1.26 0.37 119.66 124.25 2pnh s GLN 45 Ca 0.14 1.14 0.03 0.00 -1.95 0.00 0.00 55.36 54.72 2pnh s GLN 45 Cb -0.12 -3.41 0.01 0.00 -0.22 0.00 0.00 33.01 29.27 2pnh s GLN 45 CO 0.03 0.15 -0.22 0.00 -0.25 0.00 0.00 175.29 175.00 2pnh s ALA 46 N 0.40 2.21 0.04 6.09 0.00 -0.29 -4.92 121.76 125.29 2pnh s ALA 46 Ca 0.42 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.36 2pnh s ALA 46 Cb -0.20 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2pnh s ALA 46 CO 0.24 0.00 -0.11 -0.46 0.00 0.00 0.00 175.76 175.43 2pnh s TRP 47 N 0.77 0.96 0.01 0.00 -0.00 -1.26 -0.93 118.94 118.49 2pnh s TRP 47 Ca -0.08 -0.38 -0.25 0.00 -0.00 0.00 0.00 56.10 55.38 2pnh s TRP 47 Cb -0.16 -0.57 0.06 0.00 -0.00 0.00 0.00 33.47 32.80 2pnh s TRP 47 CO -0.01 -0.00 0.57 0.00 -0.00 0.00 0.00 176.95 177.51 2pnh s GLN 49 N -1.88 2.07 -0.29 0.00 -0.21 -1.26 -0.18 119.66 117.90 2pnh s GLN 49 Ca -0.08 -1.54 -0.11 0.00 0.02 0.00 0.00 55.36 53.65 2pnh s GLN 49 Cb -0.01 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 2pnh s GLN 49 CO 0.03 -0.76 0.19 -1.64 -2.12 0.00 0.00 175.29 170.99 2pnh s MET 50 N 1.10 3.83 0.27 2.91 -1.94 0.10 -4.87 119.30 120.71 2pnh s MET 50 Ca 0.00 -0.40 -0.30 0.00 -1.71 0.00 0.00 55.69 53.28 2pnh s MET 50 Cb -0.20 -3.67 -0.10 0.00 2.01 0.00 0.00 34.83 32.86 2pnh s MET 50 CO -0.04 -0.24 1.43 -2.14 -0.01 0.00 0.00 175.02 174.01 2pnh s PRO 51 N 1.74 4.27 -0.05 2.03 0.02 -1.26 0.43 135.00 142.17 2pnh s PRO 51 Ca 0.07 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.43 2pnh s PRO 51 Cb -0.16 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.28 2pnh s PRO 51 CO 0.10 -0.40 -0.11 0.08 -0.33 0.00 0.00 177.00 176.35 2pnh s VAL 52 N -0.28 0.98 -0.16 3.83 1.01 -0.22 -1.01 120.40 124.55 2pnh s VAL 52 Ca 0.57 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2pnh s VAL 52 Cb -0.42 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 2pnh s VAL 52 CO 0.46 0.31 -0.15 -0.63 0.00 0.00 0.00 175.10 175.10 2pnh s ILE 53 N 0.56 2.68 -0.27 2.22 1.01 -0.22 -2.35 121.20 124.82 2pnh s ILE 53 Ca -0.11 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 2pnh s ILE 53 Cb -0.14 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.23 2pnh s ILE 53 CO 0.02 0.51 -0.05 -0.69 0.00 0.00 0.00 174.94 174.74 2pnh s VAL 54 N 0.93 2.86 0.35 2.92 1.01 -0.17 0.09 120.40 128.40 2pnh s VAL 54 Ca -0.03 -1.18 0.08 0.00 0.00 0.00 0.00 61.98 60.86 2pnh s VAL 54 Cb -0.15 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2pnh s VAL 54 CO -0.02 0.09 0.09 -0.94 0.00 0.00 0.00 175.10 174.32 2pnh s SER 55 N 1.29 4.41 0.00 3.32 1.04 -1.26 -0.07 113.70 122.42 2pnh s SER 55 Ca -0.02 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2pnh s SER 55 Cb -0.18 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.35 2pnh s SER 55 CO -0.03 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2pnh n GLY 56 N -1.07 -1.32 0.24 7.32 0.00 -1.25 -4.82 105.19 104.28 2pnh n GLY 56 Ca -0.03 -1.22 0.16 0.00 0.00 0.00 0.00 46.02 44.93 2pnh n GLY 56 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2pnh h HIS 57 N 0.00 0.00 0.00 1.61 2.07 -1.97 -3.19 115.15 113.67 2pnh h HIS 57 Ca 0.00 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.45 2pnh h HIS 57 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2pnh h HIS 57 CO 0.00 0.00 -0.34 1.05 -3.07 0.00 0.00 177.93 175.57 2pnh h GLU 58 N 0.00 0.00 -3.09 5.12 9.09 -2.02 -3.17 114.58 120.51 2pnh h GLU 58 Ca 0.00 0.00 -0.80 0.00 0.05 0.00 0.00 59.36 58.61 2pnh h GLU 58 Cb 0.33 0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 27.18 2pnh h GLU 58 CO 0.00 0.34 1.04 0.09 0.05 0.00 0.00 179.01 180.52 2pnh n ASN 59 N -4.13 6.11 -0.00 3.06 4.13 -1.21 -4.58 115.26 118.64 2pnh n ASN 59 Ca -0.02 -3.33 -0.01 0.00 1.68 0.00 0.00 54.58 52.90 2pnh n ASN 59 Cb 0.38 -1.32 -0.01 0.00 -1.54 0.00 0.00 39.78 37.29 2pnh n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pnh n GLN 60 N 1.95 1.78 -0.08 3.52 1.13 -1.20 -4.20 117.38 120.29 2pnh n GLN 60 Ca 0.29 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.27 2pnh n GLN 60 Cb 0.34 -1.02 0.08 0.00 0.11 0.00 0.00 30.24 29.75 2pnh n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pnh h ALA 61 N 0.02 0.86 -0.03 -1.58 0.00 -1.87 0.31 119.26 116.96 2pnh h ALA 61 Ca -0.02 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2pnh h ALA 61 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2pnh h ALA 61 CO -0.00 0.63 -0.28 -0.84 0.00 0.00 0.00 179.25 178.76 2pnh h ILE 62 N 0.66 1.47 -0.71 0.00 3.07 -1.90 -3.17 117.51 116.95 2pnh h ILE 62 Ca 0.09 -1.80 0.05 0.00 1.55 0.00 0.00 64.86 64.75 2pnh h ILE 62 Cb 0.76 2.51 -0.05 0.00 -0.27 0.00 0.00 36.82 39.77 2pnh h ILE 62 CO 0.06 0.50 0.41 0.74 -1.05 0.00 0.00 178.15 178.82 2pnh h THR 63 N -0.32 1.01 0.00 0.16 2.02 -1.70 -2.33 112.91 111.75 2pnh h THR 63 Ca -0.03 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2pnh h THR 63 Cb 0.97 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2pnh h THR 63 CO 0.06 0.14 0.00 0.45 0.37 0.00 0.00 175.52 176.54 2pnh h HIS 64 N 0.77 0.00 -0.00 3.16 3.86 -0.51 -2.77 115.15 119.66 2pnh h HIS 64 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2pnh h HIS 64 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2pnh h HIS 64 CO -0.06 0.00 -0.36 -1.13 0.86 0.00 0.00 177.93 177.24 2pnh n SER 65 N -2.99 0.76 -4.70 2.45 3.41 -0.90 -4.91 113.62 106.75 2pnh n SER 65 Ca 0.01 -0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 57.62 2pnh n SER 65 Cb 0.31 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2pnh n SER 65 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pnh s ILE 66 N -2.73 4.84 0.29 -1.33 1.01 -1.05 -5.05 121.20 117.18 2pnh s ILE 66 Ca 0.18 2.00 0.02 0.00 0.00 0.00 0.00 60.65 62.85 2pnh s ILE 66 Cb 0.18 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 2pnh s ILE 66 CO 0.60 0.08 0.10 0.28 0.00 0.00 0.00 174.94 176.00 2pnh s THR 67 N 1.55 0.63 0.04 2.92 -1.32 -1.26 -4.73 115.64 113.47 2pnh s THR 67 Ca 0.49 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.66 2pnh s THR 67 Cb -0.19 -2.63 -0.09 0.00 -1.51 0.00 0.00 72.50 68.08 2pnh s THR 67 CO 0.22 0.00 1.96 0.52 -2.21 0.00 0.00 174.62 175.11 2pnh n VAL 68 N -0.55 0.72 0.00 5.08 0.31 -1.26 -1.11 118.33 121.52 2pnh n VAL 68 Ca -0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2pnh n VAL 68 Cb 0.66 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 2pnh n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pnh n GLY 69 N 4.52 0.50 3.74 2.92 0.00 -0.15 -4.98 105.19 111.75 2pnh n GLY 69 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2pnh n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pnh s SER 70 N -2.37 6.90 -0.46 1.61 0.01 -0.27 -4.76 113.70 114.35 2pnh s SER 70 Ca 0.00 2.39 -0.18 0.00 1.31 0.00 0.00 55.95 59.47 2pnh s SER 70 Cb 0.00 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.67 2pnh s SER 70 CO 0.00 -0.53 0.52 -0.13 0.41 0.00 0.00 173.24 173.50 2pnh s ARG 71 N -0.01 3.10 0.11 12.44 1.81 -1.26 -1.59 118.95 133.55 2pnh s ARG 71 Ca 0.57 -0.88 0.08 0.00 -1.72 0.00 0.00 55.73 53.79 2pnh s ARG 71 Cb -0.36 -4.04 -0.04 0.00 -0.45 0.00 0.00 34.95 30.06 2pnh s ARG 71 CO 0.37 -1.04 -0.21 0.96 -0.68 0.00 0.00 175.30 174.71 2pnh s ILE 72 N 2.30 1.74 -0.18 1.52 -4.36 -0.85 -0.34 121.20 121.02 2pnh s ILE 72 Ca 0.13 -1.59 -0.06 0.00 -0.26 0.00 0.00 60.65 58.86 2pnh s ILE 72 Cb -0.19 -1.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 2pnh s ILE 72 CO 0.12 -0.09 0.03 -0.89 0.24 0.00 0.00 174.94 174.35 2pnh s THR 73 N -1.27 4.40 -0.03 8.37 2.01 -0.50 -1.67 115.64 126.96 2pnh s THR 73 Ca 0.08 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 61.98 2pnh s THR 73 Cb -0.09 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 2pnh s THR 73 CO 0.05 0.45 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.50 2pnh s VAL 74 N 0.55 2.20 -0.04 3.82 1.01 0.73 -1.59 120.40 127.09 2pnh s VAL 74 Ca 0.01 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2pnh s VAL 74 Cb -0.13 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2pnh s VAL 74 CO 0.02 0.58 -0.05 -1.58 0.00 0.00 0.00 175.10 174.07 2pnh s GLN 75 N -0.62 0.80 0.00 2.72 0.74 -0.67 -0.35 119.66 122.27 2pnh s GLN 75 Ca 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.38 2pnh s GLN 75 Cb -0.10 -0.80 0.00 0.00 1.10 0.00 0.00 33.01 33.21 2pnh s GLN 75 CO -0.01 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 2pnh n GLY 76 N 3.89 -0.58 3.68 2.59 0.00 -0.60 -0.02 105.19 114.14 2pnh n GLY 76 Ca -0.24 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 2pnh n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnh s PHE 77 N -3.10 3.00 0.12 1.61 -0.12 -0.93 -0.52 117.98 118.04 2pnh s PHE 77 Ca 0.00 -0.00 -0.06 0.00 -0.05 0.00 0.00 56.93 56.82 2pnh s PHE 77 Cb 0.00 -1.57 -0.06 0.00 -0.63 0.00 0.00 43.02 40.76 2pnh s PHE 77 CO 0.00 0.47 0.37 0.96 -0.05 0.00 0.00 175.22 176.97 2pnh s ILE 78 N -1.24 5.17 -0.00 -4.49 -4.36 -1.26 -0.08 121.20 114.93 2pnh s ILE 78 Ca 0.24 0.13 -0.14 0.00 -0.26 0.00 0.00 60.65 60.61 2pnh s ILE 78 Cb -0.12 -3.62 0.02 0.00 1.25 0.00 0.00 42.46 39.99 2pnh s ILE 78 CO 0.16 0.12 0.29 -0.55 0.24 0.00 0.00 174.94 175.20 2pnh s SER 79 N -2.24 -0.16 -0.02 4.36 0.15 -0.11 -4.95 113.70 110.73 2pnh s SER 79 Ca 0.38 0.02 0.07 0.00 0.70 0.00 0.00 55.95 57.12 2pnh s SER 79 Cb -0.13 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 2pnh s SER 79 CO 0.23 -0.46 -0.23 0.00 1.20 0.00 0.00 173.24 173.97 2pnh s HIS 81 N -0.53 1.02 0.00 0.00 3.76 -1.26 -4.96 115.29 113.31 2pnh s HIS 81 Ca 0.09 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 2pnh s HIS 81 Cb -0.09 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2pnh s HIS 81 CO -0.01 -0.08 0.00 1.63 -0.85 0.00 0.00 174.74 175.43 2pnh n LYS 82 N 3.16 0.00 0.00 1.40 4.01 -1.26 -4.69 118.16 120.78 2pnh n LYS 82 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 2pnh n LYS 82 Cb 0.55 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.07 2pnh n LYS 82 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2pnh n LYS 89 N 0.00 0.00 -4.83 1.97 4.76 -1.26 -5.30 118.16 113.50 2pnh n LYS 89 Ca 0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 2pnh n LYS 89 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 2pnh n LYS 89 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2pnh s MET 90 N -4.90 3.22 0.07 1.97 -1.94 -1.26 -4.29 119.30 112.17 2pnh s MET 90 Ca 0.00 -0.77 0.10 0.00 -1.71 0.00 0.00 55.69 53.31 2pnh s MET 90 Cb 0.00 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 2pnh s MET 90 CO 0.00 0.14 -0.26 0.14 -0.01 0.00 0.00 175.02 175.03 2pnh s VAL 91 N 0.50 2.13 -0.25 -6.03 -7.23 0.04 -4.24 120.40 105.32 2pnh s VAL 91 Ca -0.12 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 2pnh s VAL 91 Cb -0.16 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 2pnh s VAL 91 CO 0.05 0.27 0.23 -0.22 -0.31 0.00 0.00 175.10 175.11 2pnh s LEU 92 N -1.48 4.08 -0.51 1.32 2.96 -0.18 -0.93 118.68 123.94 2pnh s LEU 92 Ca 0.12 0.14 -0.19 0.00 -0.22 0.00 0.00 54.13 53.98 2pnh s LEU 92 Cb -0.10 -2.20 0.06 0.00 0.50 0.00 0.00 46.19 44.45 2pnh s LEU 92 CO 0.03 -0.02 0.63 -1.00 -1.32 0.00 0.00 176.35 174.67 2pnh s HIS 93 N 1.46 3.04 0.09 5.38 3.76 0.89 -1.06 115.29 128.86 2pnh s HIS 93 Ca 0.10 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.17 2pnh s HIS 93 Cb -0.15 -3.56 -0.05 0.00 1.11 0.00 0.00 32.58 29.92 2pnh s HIS 93 CO 0.08 -1.05 1.01 0.00 -0.85 0.00 0.00 174.74 173.93 2pnh s ALA 94 N 2.65 3.26 -0.12 -1.40 0.00 0.11 -2.18 121.76 124.08 2pnh s ALA 94 Ca 0.15 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 2pnh s ALA 94 Cb -0.19 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2pnh s ALA 94 CO 0.12 -0.14 -0.23 -1.91 0.00 0.00 0.00 175.76 173.59 2pnh n GLU 95 N 3.09 0.36 -4.23 0.00 2.13 0.97 -4.36 120.64 118.60 2pnh n GLU 95 Ca 0.04 0.15 -0.33 0.00 0.66 0.00 0.00 57.16 57.68 2pnh n GLU 95 Cb 0.49 -1.12 -0.08 0.00 0.27 0.00 0.00 31.44 30.99 2pnh n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2pnh s GLN 96 N -2.48 2.89 -0.14 5.31 1.11 -0.50 -5.01 119.66 120.84 2pnh s GLN 96 Ca -0.22 -0.55 -0.05 0.00 0.01 0.00 0.00 55.36 54.55 2pnh s GLN 96 Cb 0.06 -2.74 0.07 0.00 -1.01 0.00 0.00 33.01 29.38 2pnh s GLN 96 CO 0.30 0.64 0.28 -1.50 0.01 0.00 0.00 175.29 175.01 2pnh s ILE 97 N -1.10 -0.42 -0.02 1.08 2.07 -1.26 -1.68 121.20 119.87 2pnh s ILE 97 Ca 0.20 0.26 0.07 0.00 -1.41 0.00 0.00 60.65 59.78 2pnh s ILE 97 Cb -0.12 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 2pnh s ILE 97 CO 0.11 0.11 -0.24 -1.61 -1.91 0.00 0.00 174.94 171.39 2pnh s GLU 98 N 2.38 2.06 -0.50 3.50 2.02 -0.62 -5.01 118.70 122.52 2pnh s GLU 98 Ca 0.00 -0.87 -0.26 0.00 0.02 0.00 0.00 54.97 53.86 2pnh s GLU 98 Cb -0.12 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.19 2pnh s GLU 98 CO -0.09 0.50 1.01 -0.51 0.02 0.00 0.00 175.26 176.20 2pnh s LEU 99 N -0.50 3.86 0.00 1.80 1.02 -1.26 -1.41 118.68 122.19 2pnh s LEU 99 Ca 0.07 0.08 0.27 0.00 0.02 0.00 0.00 54.13 54.58 2pnh s LEU 99 Cb -0.10 -3.18 0.94 0.00 0.02 0.00 0.00 46.19 43.87 2pnh s LEU 99 CO -0.00 -1.20 1.68 0.00 0.02 0.00 0.00 176.35 176.85