#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uh6 s LYS 2 N 0.00 0.51 -0.23 2.12 2.20 -1.26 -5.14 119.74 117.93 1uh6 s LYS 2 Ca 0.00 0.03 -0.07 0.00 -0.36 0.00 0.00 55.97 55.57 1uh6 s LYS 2 Cb 0.00 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1uh6 s LYS 2 CO 0.00 -0.11 0.06 0.20 -0.36 0.00 0.00 175.35 175.13 1uh6 s GLY 3 N -0.72 1.77 -0.23 5.54 0.00 -1.26 -5.07 107.32 107.35 1uh6 s GLY 3 Ca -0.08 -1.07 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 1uh6 s GLY 3 CO 0.02 0.43 -0.03 -0.45 0.00 0.00 0.00 173.10 173.08 1uh6 s SER 4 N 1.38 3.61 -0.68 1.64 0.15 -1.26 -5.08 113.70 113.47 1uh6 s SER 4 Ca 0.05 -1.10 -0.27 0.00 0.70 0.00 0.00 55.95 55.33 1uh6 s SER 4 Cb -0.15 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 63.15 1uh6 s SER 4 CO 0.03 -0.26 1.49 -0.94 1.20 0.00 0.00 173.24 174.76 1uh6 s SER 5 N 1.52 5.85 -0.09 5.45 1.04 -1.26 -4.97 113.70 121.23 1uh6 s SER 5 Ca -0.04 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.29 1uh6 s SER 5 Cb -0.18 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 1uh6 s SER 5 CO -0.07 -2.02 -0.15 -1.00 0.98 0.00 0.00 173.24 170.98 1uh6 s HIS 6 N 6.93 2.73 0.29 5.02 3.76 -1.26 -5.12 115.29 127.64 1uh6 s HIS 6 Ca 0.48 -0.48 -0.08 0.00 -0.15 0.00 0.00 55.06 54.83 1uh6 s HIS 6 Cb -0.10 -1.73 -0.06 0.00 1.11 0.00 0.00 32.58 31.80 1uh6 s HIS 6 CO 0.18 -0.06 0.60 -1.01 -0.85 0.00 0.00 174.74 173.59 1uh6 s HIS 7 N -0.11 3.45 -0.38 1.40 3.76 -1.26 -5.03 115.29 117.12 1uh6 s HIS 7 Ca -0.02 0.82 -0.27 0.00 -0.15 0.00 0.00 55.06 55.44 1uh6 s HIS 7 Cb -0.14 -2.24 0.02 0.00 1.11 0.00 0.00 32.58 31.33 1uh6 s HIS 7 CO 0.04 0.15 1.00 -1.58 -0.85 0.00 0.00 174.74 173.49 1uh6 s HIS 8 N -2.05 3.05 0.34 1.40 2.46 -1.26 -4.84 115.29 114.39 1uh6 s HIS 8 Ca 0.47 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.86 1uh6 s HIS 8 Cb -0.11 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.54 1uh6 s HIS 8 CO 0.27 -0.89 0.00 0.72 -2.47 0.00 0.00 174.74 172.36 1uh6 n HIS 9 N 7.00 -2.61 -3.64 3.88 8.25 -1.26 -5.01 115.22 121.82 1uh6 n HIS 9 Ca 0.09 1.37 -0.09 0.00 -0.26 0.00 0.00 57.72 58.83 1uh6 n HIS 9 Cb 0.48 -2.38 -0.07 0.00 1.12 0.00 0.00 29.99 29.14 1uh6 n HIS 9 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1uh6 s HIS 10 N -2.88 -0.94 0.12 4.41 5.04 -1.26 -5.13 115.29 114.65 1uh6 s HIS 10 Ca 0.00 2.00 -0.34 0.00 -1.54 0.00 0.00 55.06 55.17 1uh6 s HIS 10 Cb 0.00 0.50 -0.17 0.00 0.04 0.00 0.00 32.58 32.95 1uh6 s HIS 10 CO 0.00 -0.46 1.08 0.72 -2.34 0.00 0.00 174.74 173.74 1uh6 n HIS 11 N 3.71 0.93 -3.53 3.88 8.25 -1.26 -4.94 115.22 122.26 1uh6 n HIS 11 Ca -0.18 0.80 -0.07 0.00 -0.26 0.00 0.00 57.72 58.01 1uh6 n HIS 11 Cb 0.58 -2.20 -0.02 0.00 1.12 0.00 0.00 29.99 29.47 1uh6 n HIS 11 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1uh6 s SER 12 N -0.07 -0.30 -0.55 0.41 0.15 -1.26 -5.12 113.70 106.97 1uh6 s SER 12 Ca 0.78 0.03 -0.22 0.00 0.70 0.00 0.00 55.95 57.24 1uh6 s SER 12 Cb -0.98 0.31 0.05 0.00 -1.71 0.00 0.00 66.02 63.70 1uh6 s SER 12 CO 0.53 -0.49 0.81 -0.55 1.20 0.00 0.00 173.24 174.74 1uh6 s SER 13 N -2.29 6.27 0.25 5.45 0.15 -1.26 -5.01 113.70 117.26 1uh6 s SER 13 Ca 0.06 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 56.08 1uh6 s SER 13 Cb -0.01 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 1uh6 s SER 13 CO -0.07 -1.12 -0.02 -0.83 1.20 0.00 0.00 173.24 172.40 1uh6 s GLY 14 N 2.90 1.68 -0.39 9.45 0.00 -1.26 -5.12 107.32 114.58 1uh6 s GLY 14 Ca 0.23 -1.83 0.07 0.00 0.00 0.00 0.00 44.72 43.18 1uh6 s GLY 14 CO 0.15 -1.74 0.65 0.00 0.00 0.00 0.00 173.10 172.16 1uh6 s ALA 15 N -3.26 -2.50 -0.86 3.20 0.00 -1.26 -5.09 121.76 111.98 1uh6 s ALA 15 Ca 0.29 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1uh6 s ALA 15 Cb 0.05 -2.72 0.15 0.00 0.00 0.00 0.00 23.12 20.60 1uh6 s ALA 15 CO 0.10 -2.17 0.99 -1.12 0.00 0.00 0.00 175.76 173.56 1uh6 s SER 16 N 2.03 6.61 0.05 0.00 0.01 -1.26 -4.70 113.70 116.43 1uh6 s SER 16 Ca 0.15 -2.13 -0.00 0.00 1.31 0.00 0.00 55.95 55.28 1uh6 s SER 16 Cb -0.05 -2.34 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 1uh6 s SER 16 CO -0.11 -0.95 -0.00 -0.11 0.41 0.00 0.00 173.24 172.48 1uh6 n LEU 17 N 5.88 0.58 -4.45 2.44 7.94 -1.26 -4.98 117.00 123.15 1uh6 n LEU 17 Ca 0.17 0.07 -0.47 0.00 -1.11 0.00 0.00 56.01 54.68 1uh6 n LEU 17 Cb 0.48 -0.18 -0.10 0.00 0.53 0.00 0.00 43.42 44.15 1uh6 n LEU 17 CO 0.47 -0.63 1.96 0.55 -1.11 0.00 0.00 177.39 178.63 1uh6 n VAL 18 N -3.02 0.05 -2.42 1.96 3.14 -1.26 -4.83 118.33 111.95 1uh6 n VAL 18 Ca -0.00 -0.24 -0.43 0.00 -2.96 0.00 0.00 64.34 60.71 1uh6 n VAL 18 Cb 0.01 -1.33 -0.02 0.00 -1.06 0.00 0.00 33.84 31.44 1uh6 n VAL 18 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1uh6 s PRO 19 N 7.39 4.25 0.02 1.45 0.04 -1.26 -5.02 135.00 141.87 1uh6 s PRO 19 Ca 1.17 1.68 0.07 0.00 0.04 0.00 0.00 61.00 63.95 1uh6 s PRO 19 Cb -0.96 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 29.83 1uh6 s PRO 19 CO 0.48 -0.66 -0.20 1.03 0.04 0.00 0.00 177.00 177.69 1uh6 s ARG 20 N 3.26 1.46 0.00 4.56 0.52 -1.26 -5.12 118.95 122.37 1uh6 s ARG 20 Ca 0.55 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1uh6 s ARG 20 Cb -0.23 -1.49 0.00 0.00 0.52 0.00 0.00 34.95 33.75 1uh6 s ARG 20 CO 0.16 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.29 1uh6 n GLY 21 N 2.21 2.14 3.16 -3.53 0.00 -1.26 -5.05 105.19 102.85 1uh6 n GLY 21 Ca -0.16 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1uh6 n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uh6 s SER 22 N 0.00 1.43 0.00 1.61 1.04 -1.26 -4.96 113.70 111.56 1uh6 s SER 22 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1uh6 s SER 22 Cb 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1uh6 s SER 22 CO 0.00 -0.20 0.00 -0.62 0.98 0.00 0.00 173.24 173.40 1uh6 n GLU 23 N 0.90 0.00 0.00 4.02 1.02 -1.26 -4.37 120.64 120.95 1uh6 n GLU 23 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1uh6 n GLU 23 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uh6 n GLY 24 N 0.00 3.52 3.39 0.62 0.00 -1.26 -5.12 105.19 106.34 1uh6 n GLY 24 Ca 0.00 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1uh6 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 s ALA 25 N -1.93 2.96 -0.35 4.61 0.00 -1.26 -4.93 121.76 120.87 1uh6 s ALA 25 Ca 0.00 -1.10 0.14 0.00 0.00 0.00 0.00 51.96 51.00 1uh6 s ALA 25 Cb 0.00 -1.81 0.45 0.00 0.00 0.00 0.00 23.12 21.76 1uh6 s ALA 25 CO 0.00 -0.35 1.04 0.00 0.00 0.00 0.00 175.76 176.45 1uh6 n ALA 26 N 4.65 3.95 -1.59 0.00 0.00 -1.26 -3.98 120.51 122.28 1uh6 n ALA 26 Ca -0.17 -3.50 -0.34 0.00 0.00 0.00 0.00 53.44 49.43 1uh6 n ALA 26 Cb 0.51 -0.76 0.03 0.00 0.00 0.00 0.00 19.45 19.23 1uh6 n ALA 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1uh6 s THR 27 N -4.06 3.24 -0.03 0.00 2.01 -1.26 -4.56 115.64 110.98 1uh6 s THR 27 Ca 0.35 0.63 -0.20 0.00 0.31 0.00 0.00 61.69 62.78 1uh6 s THR 27 Cb 0.42 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1uh6 s THR 27 CO -0.04 -0.31 0.58 -0.04 -0.69 0.00 0.00 174.62 174.13 1uh6 s MET 28 N -3.87 4.32 -0.06 4.92 -1.94 -1.26 -1.36 119.30 120.06 1uh6 s MET 28 Ca 0.68 0.70 -0.04 0.00 -1.71 0.00 0.00 55.69 55.32 1uh6 s MET 28 Cb -0.21 -3.37 0.02 0.00 2.01 0.00 0.00 34.83 33.28 1uh6 s MET 28 CO 0.37 0.30 0.14 0.96 -0.01 0.00 0.00 175.02 176.79 1uh6 s ILE 29 N 0.04 -0.02 -0.21 2.53 -4.36 -0.33 -4.86 121.20 114.00 1uh6 s ILE 29 Ca 0.31 0.07 -0.10 0.00 -0.26 0.00 0.00 60.65 60.67 1uh6 s ILE 29 Cb -0.18 -0.22 -0.05 0.00 1.25 0.00 0.00 42.46 43.27 1uh6 s ILE 29 CO 0.16 0.03 0.13 -0.70 0.24 0.00 0.00 174.94 174.80 1uh6 s GLU 30 N 0.50 4.13 0.21 0.37 2.12 -1.26 -2.53 118.70 122.24 1uh6 s GLU 30 Ca -0.04 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1uh6 s GLU 30 Cb -0.05 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 1uh6 s GLU 30 CO -0.02 0.23 0.35 0.14 -0.54 0.00 0.00 175.26 175.42 1uh6 s VAL 31 N 0.55 5.26 -0.21 3.70 -7.23 -0.86 0.12 120.40 121.74 1uh6 s VAL 31 Ca 0.07 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1uh6 s VAL 31 Cb -0.12 -3.80 0.05 0.00 0.56 0.00 0.00 36.38 33.08 1uh6 s VAL 31 CO -0.00 -0.24 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.79 1uh6 s VAL 32 N -1.90 1.48 -0.24 1.32 1.01 0.65 -2.03 120.40 120.68 1uh6 s VAL 32 Ca 0.35 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1uh6 s VAL 32 Cb -0.10 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1uh6 s VAL 32 CO 0.29 0.03 0.38 0.00 0.00 0.00 0.00 175.10 175.80 1uh6 s ASN 34 N 1.38 5.77 1.04 0.00 0.01 -1.14 -1.84 114.94 120.16 1uh6 s ASN 34 Ca 0.16 -1.79 -0.06 0.00 -0.71 0.00 0.00 52.86 50.47 1uh6 s ASN 34 Cb -0.15 -2.04 0.08 0.00 0.41 0.00 0.00 41.25 39.55 1uh6 s ASN 34 CO 0.09 -0.68 0.35 -0.90 -1.51 0.00 0.00 177.10 174.45 1uh6 n ASP 35 N 4.97 -0.71 -0.18 -1.22 5.75 -1.19 -2.26 116.55 121.70 1uh6 n ASP 35 Ca -0.09 -0.90 -0.07 0.00 -0.01 0.00 0.00 54.79 53.72 1uh6 n ASP 35 Cb 0.41 -0.30 0.02 0.00 -1.03 0.00 0.00 41.12 40.22 1uh6 n ASP 35 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1uh6 h ARG 36 N 0.00 0.70 0.00 0.11 3.08 -1.93 0.20 114.38 116.55 1uh6 h ARG 36 Ca -0.12 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1uh6 h ARG 36 Cb 0.36 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1uh6 h ARG 36 CO 0.08 0.52 0.00 -0.07 -1.07 0.00 0.00 179.97 179.43 1uh6 h LEU 37 N 0.69 0.00 0.00 3.04 -0.00 -1.98 -3.44 115.31 113.62 1uh6 h LEU 37 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1uh6 h LEU 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1uh6 h LEU 37 CO -0.03 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.02 1uh6 n GLY 38 N -0.98 2.21 3.58 0.83 0.00 0.06 -4.99 105.19 105.89 1uh6 n GLY 38 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.53 1uh6 n GLY 38 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uh6 n LYS 39 N -2.00 1.19 -3.29 1.61 2.85 -1.26 -4.55 118.16 112.71 1uh6 n LYS 39 Ca 0.00 0.42 -0.38 0.00 -1.05 0.00 0.00 58.31 57.30 1uh6 n LYS 39 Cb 0.00 -1.88 -0.06 0.00 -0.65 0.00 0.00 35.03 32.44 1uh6 n LYS 39 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1uh6 s LYS 40 N -0.64 4.22 -0.33 -1.58 1.02 -1.26 -3.18 119.74 117.99 1uh6 s LYS 40 Ca 0.70 0.64 0.01 0.00 0.02 0.00 0.00 55.97 57.34 1uh6 s LYS 40 Cb -0.82 -3.31 0.10 0.00 -0.52 0.00 0.00 37.83 33.29 1uh6 s LYS 40 CO 0.54 0.47 0.09 0.08 -0.92 0.00 0.00 175.35 175.60 1uh6 s VAL 41 N -0.47 1.52 -0.13 3.17 1.01 -0.77 -4.94 120.40 119.79 1uh6 s VAL 41 Ca 0.29 -1.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.13 1uh6 s VAL 41 Cb -0.18 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1uh6 s VAL 41 CO 0.16 -0.66 0.79 -0.13 0.00 0.00 0.00 175.10 175.26 1uh6 s ARG 42 N 1.22 4.35 0.01 2.72 0.52 -1.26 -2.03 118.95 124.48 1uh6 s ARG 42 Ca 0.11 0.98 0.05 0.00 -0.52 0.00 0.00 55.73 56.35 1uh6 s ARG 42 Cb -0.18 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 1uh6 s ARG 42 CO -0.16 -0.19 -0.16 0.08 0.02 0.00 0.00 175.30 174.88 1uh6 s VAL 43 N 1.68 1.30 -0.09 3.52 1.01 -0.86 -4.97 120.40 121.98 1uh6 s VAL 43 Ca 0.38 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 1uh6 s VAL 43 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1uh6 s VAL 43 CO 0.15 0.23 0.53 -1.59 0.00 0.00 0.00 175.10 174.42 1uh6 s LYS 44 N -0.73 4.33 0.29 2.72 -2.85 -1.26 -2.02 119.74 120.22 1uh6 s LYS 44 Ca 0.05 0.57 -0.11 0.00 -1.00 0.00 0.00 55.97 55.48 1uh6 s LYS 44 Cb -0.07 -3.41 0.01 0.00 -2.06 0.00 0.00 37.83 32.29 1uh6 s LYS 44 CO 0.00 0.20 0.54 0.00 0.10 0.00 0.00 175.35 176.19 1uh6 s ASN 46 N -3.07 3.84 0.24 0.00 0.02 -1.26 -1.19 114.94 113.53 1uh6 s ASN 46 Ca 0.23 -1.30 0.26 0.00 -1.02 0.00 0.00 52.86 51.02 1uh6 s ASN 46 Cb -0.02 -0.39 0.80 0.00 0.02 0.00 0.00 41.25 41.66 1uh6 s ASN 46 CO 0.12 -0.36 1.76 0.71 0.02 0.00 0.00 177.10 179.34 1uh6 h THR 47 N 1.85 0.00 0.00 1.60 1.35 -1.46 -3.01 112.91 113.24 1uh6 h THR 47 Ca -0.43 -0.50 -0.10 0.00 -0.55 0.00 0.00 66.41 64.83 1uh6 h THR 47 Cb 1.24 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 1uh6 h THR 47 CO 0.77 0.00 -0.46 -0.78 -0.25 0.00 0.00 175.52 174.80 1uh6 h ASP 48 N 0.00 0.00 -4.06 5.36 3.58 -1.84 -3.35 116.42 116.11 1uh6 h ASP 48 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 1uh6 h ASP 48 Cb 0.72 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.88 1uh6 h ASP 48 CO 0.00 0.46 0.34 1.51 -2.88 0.00 0.00 179.24 178.68 1uh6 s ASP 49 N -6.56 4.22 0.29 2.28 1.47 -1.14 -4.99 116.67 112.24 1uh6 s ASP 49 Ca -0.00 0.48 0.06 0.00 1.18 0.00 0.00 52.55 54.28 1uh6 s ASP 49 Cb 0.11 -0.89 -0.06 0.00 -0.34 0.00 0.00 42.92 41.74 1uh6 s ASP 49 CO 0.71 -2.03 -0.05 0.42 0.68 0.00 0.00 175.17 174.90 1uh6 s THR 50 N -3.54 1.64 0.35 2.11 -4.23 -1.26 -3.43 115.64 107.28 1uh6 s THR 50 Ca 0.65 -2.11 0.14 0.00 -1.18 0.00 0.00 61.69 59.19 1uh6 s THR 50 Cb -0.09 -2.51 0.37 0.00 1.34 0.00 0.00 72.50 71.62 1uh6 s THR 50 CO 0.49 -0.26 1.58 0.40 -0.54 0.00 0.00 174.62 176.28 1uh6 h ILE 51 N 2.23 0.00 0.02 2.99 1.08 -1.72 0.49 117.51 122.60 1uh6 h ILE 51 Ca -0.40 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1uh6 h ILE 51 Cb 1.24 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1uh6 h ILE 51 CO 0.68 0.00 -0.01 1.23 -0.69 0.00 0.00 178.15 179.36 1uh6 h GLY 52 N 0.00 -0.51 0.01 5.37 0.00 -1.82 1.05 103.07 107.17 1uh6 h GLY 52 Ca 0.77 0.22 0.26 0.00 0.00 0.00 0.00 47.33 48.57 1uh6 h GLY 52 CO -0.83 -0.19 0.67 -0.55 0.00 0.00 0.00 176.54 175.64 1uh6 h ASP 53 N -0.03 0.33 0.22 0.19 3.32 -1.37 -1.00 116.42 118.07 1uh6 h ASP 53 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1uh6 h ASP 53 Cb 0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1uh6 h ASP 53 CO 0.00 0.09 -0.11 0.25 -1.72 0.00 0.00 179.24 177.76 1uh6 h LEU 54 N 0.30 -0.25 -0.89 1.55 7.12 0.36 -2.85 115.31 120.66 1uh6 h LEU 54 Ca 0.53 0.01 0.27 0.00 0.13 0.00 0.00 57.88 58.82 1uh6 h LEU 54 Cb 1.52 0.06 -0.16 0.00 -0.53 0.00 0.00 40.66 41.55 1uh6 h LEU 54 CO -0.19 -0.14 0.12 0.29 -0.13 0.00 0.00 178.44 178.39 1uh6 n LYS 55 N -3.01 -0.07 -0.07 1.25 5.02 0.36 0.17 118.16 121.81 1uh6 n LYS 55 Ca -0.04 1.30 -0.09 0.00 -2.02 0.00 0.00 58.31 57.46 1uh6 n LYS 55 Cb 0.12 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 1uh6 n LYS 55 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1uh6 h LYS 56 N 0.00 -0.33 -0.07 1.97 1.57 -1.13 0.48 116.57 119.06 1uh6 h LYS 56 Ca 0.59 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.40 1uh6 h LYS 56 Cb 1.30 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1uh6 h LYS 56 CO -0.80 -0.22 -0.26 -0.07 -0.57 0.00 0.00 179.45 177.53 1uh6 h LEU 57 N -0.34 -0.84 -0.57 2.94 3.38 0.19 0.92 115.31 120.99 1uh6 h LEU 57 Ca 0.13 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.27 1uh6 h LEU 57 Cb 0.56 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1uh6 h LEU 57 CO -0.47 -0.23 -0.52 0.40 0.09 0.00 0.00 178.44 177.71 1uh6 h ILE 58 N -0.28 0.03 -0.82 1.22 2.04 -0.97 1.72 117.51 120.45 1uh6 h ILE 58 Ca 0.02 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.10 1uh6 h ILE 58 Cb 0.33 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1uh6 h ILE 58 CO -0.21 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.52 1uh6 h ALA 59 N 0.29 2.65 0.00 1.87 0.00 0.61 1.48 119.26 126.17 1uh6 h ALA 59 Ca 0.13 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 1uh6 h ALA 59 Cb 0.56 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1uh6 h ALA 59 CO -0.69 -0.89 -1.01 0.00 0.00 0.00 0.00 179.25 176.66 1uh6 h ALA 60 N 1.60 0.22 0.12 0.00 0.00 0.97 0.29 119.26 122.46 1uh6 h ALA 60 Ca 0.40 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1uh6 h ALA 60 Cb 1.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1uh6 h ALA 60 CO -0.04 0.74 -0.06 1.96 0.00 0.00 0.00 179.25 181.85 1uh6 h GLN 61 N 0.33 -0.15 0.47 0.00 1.08 0.68 -3.34 115.11 114.18 1uh6 h GLN 61 Ca -0.11 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1uh6 h GLN 61 Cb 1.66 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.12 1uh6 h GLN 61 CO 0.19 0.33 -0.23 1.79 -0.95 0.00 0.00 178.83 179.96 1uh6 h THR 62 N -0.84 0.53 0.00 -0.54 1.35 0.16 -3.47 112.91 110.10 1uh6 h THR 62 Ca -0.02 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1uh6 h THR 62 Cb 0.56 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1uh6 h THR 62 CO 0.03 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1uh6 n GLY 63 N -1.24 1.04 0.00 5.82 0.00 0.04 -5.06 105.19 105.79 1uh6 n GLY 63 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1uh6 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uh6 n THR 64 N 0.00 0.00 -4.33 2.61 -2.24 -0.88 -4.94 114.28 104.49 1uh6 n THR 64 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1uh6 n THR 64 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 1uh6 n THR 64 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uh6 s ARG 65 N 0.00 0.87 0.41 -0.78 3.00 -1.26 -4.68 118.95 116.50 1uh6 s ARG 65 Ca 0.00 -0.69 0.29 0.00 0.00 0.00 0.00 55.73 55.33 1uh6 s ARG 65 Cb 0.00 -0.85 1.38 0.00 0.00 0.00 0.00 34.95 35.48 1uh6 s ARG 65 CO 0.00 0.21 1.87 0.11 0.00 0.00 0.00 175.30 177.49 1uh6 h TRP 66 N 5.04 0.00 -0.59 -0.53 5.08 -1.87 0.36 115.95 123.44 1uh6 h TRP 66 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 1uh6 h TRP 66 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1uh6 h TRP 66 CO 0.52 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 177.95 1uh6 n ASN 67 N -2.56 3.34 -2.31 0.11 0.23 -1.26 -4.01 115.26 108.81 1uh6 n ASN 67 Ca -0.00 -1.99 -0.04 0.00 -0.53 0.00 0.00 54.58 52.02 1uh6 n ASN 67 Cb 0.15 -0.40 0.05 0.00 -2.08 0.00 0.00 39.78 37.51 1uh6 n ASN 67 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1uh6 n LYS 68 N 1.34 1.78 -3.69 -3.83 5.02 0.12 -4.78 118.16 114.11 1uh6 n LYS 68 Ca 0.21 -3.36 -0.22 0.00 -2.02 0.00 0.00 58.31 52.92 1uh6 n LYS 68 Cb 0.54 -1.45 -0.18 0.00 -0.02 0.00 0.00 35.03 33.92 1uh6 n LYS 68 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1uh6 s ILE 69 N -3.25 0.07 -0.31 -0.18 1.01 -1.18 -3.56 121.20 113.81 1uh6 s ILE 69 Ca 0.34 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 1uh6 s ILE 69 Cb 0.35 -0.37 0.04 0.00 0.01 0.00 0.00 42.46 42.49 1uh6 s ILE 69 CO -0.05 0.11 0.04 -0.69 0.00 0.00 0.00 174.94 174.35 1uh6 s VAL 70 N 2.09 3.32 -0.35 2.92 1.01 0.50 -4.94 120.40 124.95 1uh6 s VAL 70 Ca 0.04 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 1uh6 s VAL 70 Cb -0.13 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1uh6 s VAL 70 CO -0.05 -0.10 0.42 -0.76 0.00 0.00 0.00 175.10 174.61 1uh6 s LEU 71 N 1.33 4.45 0.14 3.92 1.43 -1.25 -1.70 118.68 127.00 1uh6 s LEU 71 Ca -0.03 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 1uh6 s LEU 71 Cb -0.19 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1uh6 s LEU 71 CO 0.00 -0.41 -0.21 -0.54 0.23 0.00 0.00 176.35 175.42 1uh6 s LYS 72 N 2.15 1.28 -0.32 1.70 1.02 -0.58 -2.73 119.74 122.26 1uh6 s LYS 72 Ca 0.14 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 54.81 1uh6 s LYS 72 Cb -0.16 -1.51 0.10 0.00 -0.52 0.00 0.00 37.83 35.74 1uh6 s LYS 72 CO 0.12 0.33 0.07 0.21 -0.92 0.00 0.00 175.35 175.17 1uh6 s LYS 73 N -2.36 1.09 0.52 1.68 2.47 -0.38 0.18 119.74 122.95 1uh6 s LYS 73 Ca 0.13 -1.46 0.00 0.00 -1.56 0.00 0.00 55.97 53.08 1uh6 s LYS 73 Cb -0.08 -2.58 0.00 0.00 -1.46 0.00 0.00 37.83 33.71 1uh6 s LYS 73 CO 0.06 -0.96 0.00 0.91 0.16 0.00 0.00 175.35 175.52 1uh6 n TRP 74 N 4.56 0.00 -2.53 4.03 7.02 -1.26 -0.44 117.44 128.82 1uh6 n TRP 74 Ca 0.01 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.51 1uh6 n TRP 74 Cb 0.42 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.33 1uh6 n TRP 74 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 1uh6 n TYR 75 N 0.00 0.18 -4.55 -5.99 9.36 -1.26 -5.09 117.16 109.82 1uh6 n TYR 75 Ca 0.00 -0.78 -0.28 0.00 3.32 0.00 0.00 57.90 60.16 1uh6 n TYR 75 Cb 0.00 -0.11 -0.14 0.00 -0.63 0.00 0.00 39.34 38.47 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1uh6 s THR 76 N -0.62 2.02 -0.23 2.97 2.01 0.41 -5.12 115.64 117.08 1uh6 s THR 76 Ca 0.31 -1.53 -0.06 0.00 0.31 0.00 0.00 61.69 60.72 1uh6 s THR 76 Cb 0.36 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1uh6 s THR 76 CO -0.14 0.15 0.04 -0.63 -0.69 0.00 0.00 174.62 173.35 1uh6 s ILE 77 N -0.97 4.16 -0.38 1.82 1.01 -1.26 -1.25 121.20 124.33 1uh6 s ILE 77 Ca 0.11 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 1uh6 s ILE 77 Cb -0.10 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1uh6 s ILE 77 CO 0.04 0.38 0.90 -0.36 0.00 0.00 0.00 174.94 175.90 1uh6 s PHE 78 N 1.33 3.06 0.54 3.97 0.08 -1.10 -5.02 117.98 120.83 1uh6 s PHE 78 Ca 0.05 0.68 -0.15 0.00 0.12 0.00 0.00 56.93 57.62 1uh6 s PHE 78 Cb -0.15 -3.65 -0.07 0.00 -0.57 0.00 0.00 43.02 38.58 1uh6 s PHE 78 CO 0.02 -0.85 1.00 0.15 -0.10 0.00 0.00 175.22 175.44 1uh6 s LYS 79 N 3.45 3.87 0.24 0.44 -0.14 -1.26 -4.82 119.74 121.52 1uh6 s LYS 79 Ca 0.37 0.91 0.16 0.00 -1.36 0.00 0.00 55.97 56.04 1uh6 s LYS 79 Cb -0.12 -2.12 0.03 0.00 -1.68 0.00 0.00 37.83 33.94 1uh6 s LYS 79 CO 0.19 -0.34 1.33 -0.44 -0.76 0.00 0.00 175.35 175.33 1uh6 h ASP 80 N 0.64 0.00 1.28 2.83 3.32 -1.96 -3.11 116.42 119.42 1uh6 h ASP 80 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1uh6 h ASP 80 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1uh6 h ASP 80 CO 0.62 0.49 0.00 1.12 -1.72 0.00 0.00 179.24 179.75 1uh6 h HIS 81 N 0.00 0.00 -3.27 4.55 2.07 -1.98 -3.35 115.15 113.17 1uh6 h HIS 81 Ca -0.03 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.89 1uh6 h HIS 81 Cb 1.40 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.28 1uh6 h HIS 81 CO 0.00 0.00 -0.37 0.08 -3.07 0.00 0.00 177.93 174.57 1uh6 s VAL 82 N -3.32 5.34 0.77 6.12 1.01 -1.17 -5.04 120.40 124.10 1uh6 s VAL 82 Ca 0.06 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1uh6 s VAL 82 Cb 0.09 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.95 1uh6 s VAL 82 CO 0.54 0.41 1.14 -0.94 0.00 0.00 0.00 175.10 176.26 1uh6 s SER 83 N 0.39 4.82 0.11 3.32 1.04 -1.26 -3.14 113.70 118.98 1uh6 s SER 83 Ca 0.14 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 57.30 1uh6 s SER 83 Cb -0.12 -1.47 -0.05 0.00 0.10 0.00 0.00 66.02 64.47 1uh6 s SER 83 CO 0.02 -1.71 1.49 -0.07 0.98 0.00 0.00 173.24 173.95 1uh6 h LEU 84 N -0.90 0.73 -2.83 2.42 4.07 -1.75 -2.33 115.31 114.71 1uh6 h LEU 84 Ca -0.46 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1uh6 h LEU 84 Cb 1.31 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1uh6 h LEU 84 CO 0.65 0.97 0.00 1.23 -1.08 0.00 0.00 178.44 180.21 1uh6 h GLY 85 N 0.49 0.00 0.62 0.83 0.00 -1.85 -0.21 103.07 102.96 1uh6 h GLY 85 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.22 1uh6 h GLY 85 CO 0.05 0.00 -0.89 -0.55 0.00 0.00 0.00 176.54 175.15 1uh6 h ASP 86 N 0.00 0.42 0.26 0.19 5.19 -1.78 -3.24 116.42 117.47 1uh6 h ASP 86 Ca 0.00 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 55.48 1uh6 h ASP 86 Cb 0.05 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1uh6 h ASP 86 CO 0.00 1.41 0.00 -1.22 -3.12 0.00 0.00 179.24 176.31 1uh6 n TYR 87 N -4.12 0.00 -3.23 4.55 4.01 -0.61 -4.88 117.16 112.88 1uh6 n TYR 87 Ca -0.16 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.42 1uh6 n TYR 87 Cb 0.82 -0.16 0.07 0.00 -0.31 0.00 0.00 39.34 39.75 1uh6 n TYR 87 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1uh6 n GLU 88 N -1.16 -5.68 -2.57 -0.72 1.02 -0.20 -4.95 120.64 106.38 1uh6 n GLU 88 Ca 0.15 0.65 -0.42 0.00 -0.02 0.00 0.00 57.16 57.51 1uh6 n GLU 88 Cb 0.15 -5.10 -0.03 0.00 -0.02 0.00 0.00 31.44 26.44 1uh6 n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uh6 s ILE 89 N -3.26 4.50 0.11 -3.67 1.01 -0.52 -5.03 121.20 114.34 1uh6 s ILE 89 Ca 0.24 1.80 0.03 0.00 0.00 0.00 0.00 60.65 62.72 1uh6 s ILE 89 Cb -0.11 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1uh6 s ILE 89 CO 0.56 0.03 0.17 -1.00 0.00 0.00 0.00 174.94 174.70 1uh6 s HIS 90 N 1.90 3.33 -0.20 3.97 3.76 -1.26 -4.80 115.29 122.00 1uh6 s HIS 90 Ca 0.53 0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 55.26 1uh6 s HIS 90 Cb -0.22 -1.64 -0.06 0.00 1.11 0.00 0.00 32.58 31.77 1uh6 s HIS 90 CO 0.22 0.54 2.20 -3.47 -0.85 0.00 0.00 174.74 173.38 1uh6 n ASP 91 N 0.01 3.31 0.00 1.40 2.03 -1.26 -0.73 116.55 121.30 1uh6 n ASP 91 Ca -0.07 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1uh6 n ASP 91 Cb 0.53 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1uh6 n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uh6 n GLY 92 N 5.68 1.64 3.04 0.27 0.00 0.33 -4.81 105.19 111.34 1uh6 n GLY 92 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 1uh6 n GLY 92 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1uh6 n MET 93 N 0.00 0.00 -4.03 1.61 1.56 0.09 -4.34 117.12 112.00 1uh6 n MET 93 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.11 1uh6 n MET 93 Cb 0.00 -0.91 -0.15 0.00 2.15 0.00 0.00 33.22 34.31 1uh6 n MET 93 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1uh6 s ASN 94 N -0.91 4.63 -0.08 6.12 0.01 -1.26 -0.25 114.94 123.20 1uh6 s ASN 94 Ca 0.55 -1.74 -0.10 0.00 -0.71 0.00 0.00 52.86 50.86 1uh6 s ASN 94 Cb -0.66 -1.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 1uh6 s ASN 94 CO 0.56 -0.29 0.24 -0.76 -1.51 0.00 0.00 177.10 175.35 1uh6 s LEU 95 N 1.02 4.42 -0.14 0.60 2.01 -0.48 -4.93 118.68 121.17 1uh6 s LEU 95 Ca 0.00 0.65 -0.29 0.00 0.01 0.00 0.00 54.13 54.51 1uh6 s LEU 95 Cb -0.20 -2.27 -0.06 0.00 0.01 0.00 0.00 46.19 43.68 1uh6 s LEU 95 CO -0.06 0.37 1.98 -1.61 1.01 0.00 0.00 176.35 178.04 1uh6 s GLU 96 N -1.00 3.62 -0.11 1.70 2.02 0.49 -2.89 118.70 122.54 1uh6 s GLU 96 Ca 0.18 2.11 -0.22 0.00 0.02 0.00 0.00 54.97 57.06 1uh6 s GLU 96 Cb -0.14 -4.22 -0.03 0.00 0.10 0.00 0.00 34.13 29.84 1uh6 s GLU 96 CO 0.07 -1.53 0.65 -1.17 0.02 0.00 0.00 175.26 173.30 1uh6 s LEU 97 N 6.27 4.26 -0.05 1.80 2.96 -0.96 -1.53 118.68 131.44 1uh6 s LEU 97 Ca 0.89 1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 55.76 1uh6 s LEU 97 Cb -0.34 -2.97 0.01 0.00 0.50 0.00 0.00 46.19 43.39 1uh6 s LEU 97 CO 0.36 -0.14 0.18 -0.31 -1.32 0.00 0.00 176.35 175.11 1uh6 s TYR 98 N 1.09 -0.14 -0.13 5.38 2.02 -0.69 -4.39 117.35 120.49 1uh6 s TYR 98 Ca 0.33 0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 57.32 1uh6 s TYR 98 Cb -0.17 0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 1uh6 s TYR 98 CO 0.14 -0.16 0.04 0.71 -1.57 0.00 0.00 175.55 174.72 1uh6 s TYR 99 N -0.32 3.24 -2.00 2.71 2.02 -1.26 0.19 117.35 121.93 1uh6 s TYR 99 Ca -0.04 0.15 0.26 0.00 -0.37 0.00 0.00 57.07 57.06 1uh6 s TYR 99 Cb -0.03 -1.93 1.53 0.00 -0.40 0.00 0.00 41.96 41.13 1uh6 s TYR 99 CO 0.01 0.35 1.88 1.04 -1.57 0.00 0.00 175.55 177.26