#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c5x s HIS 2 N 0.00 3.34 -0.26 2.97 5.65 -0.68 -4.88 115.29 121.43 3c5x s HIS 2 Ca 0.00 0.81 -0.17 0.00 0.25 0.00 0.00 55.06 55.95 3c5x s HIS 2 Cb 0.00 -2.75 -0.03 0.00 -1.18 0.00 0.00 32.58 28.62 3c5x s HIS 2 CO 0.00 -0.19 0.46 -1.17 -0.65 0.00 0.00 174.74 173.19 3c5x s LEU 3 N 1.97 4.06 0.00 8.88 2.96 -1.26 -1.43 118.68 133.86 3c5x s LEU 3 Ca 0.25 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 3c5x s LEU 3 Cb -0.16 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 43.95 3c5x s LEU 3 CO 0.10 -0.24 0.00 1.07 -1.32 0.00 0.00 176.35 175.96 3c5x n THR 4 N 5.07 0.00 -3.95 3.68 5.66 0.41 -4.97 114.28 120.18 3c5x n THR 4 Ca -0.06 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.84 3c5x n THR 4 Cb 0.50 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.16 3c5x n THR 4 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3c5x s THR 5 N 0.69 0.11 -0.27 1.09 2.01 -1.26 -1.54 115.64 116.47 3c5x s THR 5 Ca 0.00 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 3c5x s THR 5 Cb 0.00 -0.19 0.09 0.00 0.01 0.00 0.00 72.50 72.40 3c5x s THR 5 CO 0.00 -0.29 0.07 -0.60 -0.69 0.00 0.00 174.62 173.11 3c5x s ARG 6 N -0.90 0.67 -1.38 4.92 3.52 -0.08 -4.82 118.95 120.89 3c5x s ARG 6 Ca -0.09 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 54.65 3c5x s ARG 6 Cb -0.06 -1.96 0.03 0.00 -1.56 0.00 0.00 34.95 31.40 3c5x s ARG 6 CO -0.01 -0.86 0.93 0.09 -0.81 0.00 0.00 175.30 174.64 3c5x n ASN 7 N 4.95 -3.50 0.00 -2.12 3.02 -1.26 -1.96 115.26 114.39 3c5x n ASN 7 Ca -0.05 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3c5x n ASN 7 Cb 0.44 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 3c5x n ASN 7 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c5x n GLY 8 N -1.63 2.30 3.88 7.41 0.00 -1.26 -5.03 105.19 110.86 3c5x n GLY 8 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3c5x n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c5x s GLU 9 N -0.17 3.25 0.57 1.61 2.02 -0.83 -5.07 118.70 120.08 3c5x s GLU 9 Ca 0.00 -0.58 -0.21 0.00 0.02 0.00 0.00 54.97 54.21 3c5x s GLU 9 Cb 0.00 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 3c5x s GLU 9 CO 0.00 0.57 1.34 -1.25 0.02 0.00 0.00 175.26 175.93 3c5x s PRO 10 N -2.70 3.00 -0.09 0.39 0.04 -1.26 -0.90 135.00 133.49 3c5x s PRO 10 Ca 0.33 2.18 -0.03 0.00 0.04 0.00 0.00 61.00 63.52 3c5x s PRO 10 Cb -0.12 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.31 3c5x s PRO 10 CO 0.26 -1.28 0.07 -1.58 0.04 0.00 0.00 177.00 174.51 3c5x s HIS 11 N -1.34 0.10 -0.11 0.56 2.46 -0.59 -1.16 115.29 115.22 3c5x s HIS 11 Ca 0.74 0.06 -0.13 0.00 0.47 0.00 0.00 55.06 56.21 3c5x s HIS 11 Cb -0.39 -0.55 -0.05 0.00 -0.13 0.00 0.00 32.58 31.46 3c5x s HIS 11 CO 0.45 -0.31 0.29 -1.64 -2.47 0.00 0.00 174.74 171.07 3c5x s MET 12 N 2.16 3.99 -0.35 2.88 -1.94 0.12 -0.45 119.30 125.71 3c5x s MET 12 Ca 0.04 0.14 -0.06 0.00 -1.71 0.00 0.00 55.69 54.10 3c5x s MET 12 Cb -0.13 -3.32 0.05 0.00 2.01 0.00 0.00 34.83 33.44 3c5x s MET 12 CO -0.05 0.48 0.12 0.42 -0.01 0.00 0.00 175.02 175.98 3c5x s ILE 13 N -0.28 3.70 -0.16 2.53 -1.09 -0.51 -0.74 121.20 124.64 3c5x s ILE 13 Ca 0.18 -1.28 -0.06 0.00 -2.23 0.00 0.00 60.65 57.26 3c5x s ILE 13 Cb -0.14 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 3c5x s ILE 13 CO 0.07 -0.26 0.05 -0.69 -1.23 0.00 0.00 174.94 172.87 3c5x s VAL 14 N 1.36 4.67 0.34 2.92 1.01 0.04 -1.68 120.40 129.06 3c5x s VAL 14 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.96 3c5x s VAL 14 Cb -0.20 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3c5x s VAL 14 CO 0.02 0.49 0.45 -0.94 0.00 0.00 0.00 175.10 175.12 3c5x s SER 15 N 0.13 5.86 0.28 3.32 1.04 -1.26 -4.31 113.70 118.76 3c5x s SER 15 Ca 0.04 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.25 3c5x s SER 15 Cb -0.12 -1.16 0.64 0.00 0.10 0.00 0.00 66.02 65.47 3c5x s SER 15 CO 0.01 -0.44 1.75 -0.09 0.98 0.00 0.00 173.24 175.45 3c5x h ARG 16 N 0.93 0.58 0.00 4.02 1.12 -1.88 -1.68 114.38 117.47 3c5x h ARG 16 Ca -0.45 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 3c5x h ARG 16 Cb 1.26 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 3c5x h ARG 16 CO 0.53 0.38 0.04 1.96 -3.11 0.00 0.00 179.97 179.78 3c5x h GLN 17 N 0.60 0.00 -0.37 0.20 7.50 -1.95 -2.06 115.11 119.03 3c5x h GLN 17 Ca 0.52 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.67 3c5x h GLN 17 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.36 3c5x h GLN 17 CO -0.41 0.00 0.00 0.39 -1.50 0.00 0.00 178.83 177.31 3c5x n GLU 18 N -2.37 2.22 -1.71 1.46 1.02 -0.63 -4.95 120.64 115.68 3c5x n GLU 18 Ca -0.02 -1.86 -0.42 0.00 -0.02 0.00 0.00 57.16 54.84 3c5x n GLU 18 Cb 0.08 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 3c5x n GLU 18 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3c5x n LYS 19 N 1.05 2.77 -0.57 3.49 4.81 -0.78 -2.40 118.16 126.53 3c5x n LYS 19 Ca 0.18 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.62 3c5x n LYS 19 Cb 0.49 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.68 3c5x n LYS 19 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3c5x n GLY 20 N 4.03 0.77 3.41 3.14 0.00 -1.26 -5.06 105.19 110.23 3c5x n GLY 20 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3c5x n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3c5x s LYS 21 N -0.43 1.64 0.25 1.61 -2.85 -1.01 -5.09 119.74 113.87 3c5x s LYS 21 Ca 0.00 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 3c5x s LYS 21 Cb 0.00 -2.00 -0.10 0.00 -2.06 0.00 0.00 37.83 33.67 3c5x s LYS 21 CO 0.00 0.48 1.46 -1.12 0.10 0.00 0.00 175.35 176.27 3c5x s SER 22 N -1.87 6.62 -0.46 0.03 0.01 -1.26 -4.71 113.70 112.06 3c5x s SER 22 Ca 0.15 2.70 -0.16 0.00 1.31 0.00 0.00 55.95 59.94 3c5x s SER 22 Cb -0.10 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.55 3c5x s SER 22 CO 0.06 -0.73 0.43 -0.76 0.41 0.00 0.00 173.24 172.65 3c5x s LEU 23 N -0.36 5.26 -0.02 2.44 1.02 -0.57 -4.97 118.68 121.48 3c5x s LEU 23 Ca 0.60 -1.05 0.02 0.00 0.02 0.00 0.00 54.13 53.72 3c5x s LEU 23 Cb -0.43 -2.27 -0.03 0.00 0.02 0.00 0.00 46.19 43.48 3c5x s LEU 23 CO 0.44 -0.65 -0.03 -0.76 0.02 0.00 0.00 176.35 175.37 3c5x s LEU 24 N 1.94 3.38 -0.28 1.79 1.43 -1.26 -0.77 118.68 124.91 3c5x s LEU 24 Ca 0.08 -0.04 -0.25 0.00 -1.03 0.00 0.00 54.13 52.90 3c5x s LEU 24 Cb -0.21 -1.90 0.10 0.00 0.03 0.00 0.00 46.19 44.20 3c5x s LEU 24 CO 0.10 0.30 0.87 0.72 0.23 0.00 0.00 176.35 178.56 3c5x s PHE 25 N -1.01 -0.65 0.46 0.29 -0.71 -0.67 -5.00 117.98 110.69 3c5x s PHE 25 Ca 0.17 1.56 -0.22 0.00 -1.04 0.00 0.00 56.93 57.41 3c5x s PHE 25 Cb -0.11 0.32 -0.08 0.00 -1.21 0.00 0.00 43.02 41.94 3c5x s PHE 25 CO 0.08 -0.31 1.05 0.21 -1.34 0.00 0.00 175.22 174.91 3c5x s LYS 26 N 0.36 3.91 0.07 1.99 2.20 -1.26 -0.89 119.74 126.11 3c5x s LYS 26 Ca 0.01 1.44 -0.04 0.00 -0.36 0.00 0.00 55.97 57.02 3c5x s LYS 26 Cb -0.05 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 3c5x s LYS 26 CO -0.03 -0.35 0.07 0.95 -0.36 0.00 0.00 175.35 175.62 3c5x s THR 27 N -1.84 0.18 0.59 3.43 -4.23 0.32 -4.87 115.64 109.23 3c5x s THR 27 Ca 0.64 -1.58 0.29 0.00 -1.18 0.00 0.00 61.69 59.86 3c5x s THR 27 Cb -0.19 -1.50 0.38 0.00 1.34 0.00 0.00 72.50 72.53 3c5x s THR 27 CO 0.23 -0.81 1.86 -0.33 -0.54 0.00 0.00 174.62 175.03 3c5x h GLU 28 N 2.97 0.00 -0.21 3.99 5.08 -2.04 0.32 114.58 124.69 3c5x h GLU 28 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3c5x h GLU 28 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3c5x h GLU 28 CO 0.61 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.37 3c5x n ASP 29 N -3.67 1.93 0.00 1.42 8.00 -1.26 -5.05 116.55 117.93 3c5x n ASP 29 Ca 0.09 -1.77 0.00 0.00 0.71 0.00 0.00 54.79 53.82 3c5x n ASP 29 Cb 0.72 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 3c5x n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3c5x n GLY 30 N 1.18 0.14 3.63 0.44 0.00 0.11 -4.99 105.19 105.70 3c5x n GLY 30 Ca 0.16 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3c5x n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c5x s VAL 31 N 0.00 4.66 -0.17 1.61 1.01 -1.26 -0.52 120.40 125.74 3c5x s VAL 31 Ca 0.00 1.56 -0.15 0.00 0.00 0.00 0.00 61.98 63.39 3c5x s VAL 31 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3c5x s VAL 31 CO 0.00 -0.32 0.36 0.21 0.00 0.00 0.00 175.10 175.35 3c5x s ASN 32 N 1.55 6.48 -0.24 3.32 2.47 -0.07 -4.85 114.94 123.60 3c5x s ASN 32 Ca 0.40 0.57 -0.00 0.00 0.42 0.00 0.00 52.86 54.24 3c5x s ASN 32 Cb -0.14 -2.22 0.03 0.00 -1.45 0.00 0.00 41.25 37.48 3c5x s ASN 32 CO 0.12 0.02 -0.09 -0.32 -3.72 0.00 0.00 177.10 173.11 3c5x s MET 33 N 0.77 2.77 -0.08 0.43 -2.45 -1.26 -1.67 119.30 117.81 3c5x s MET 33 Ca 0.19 -1.01 -0.01 0.00 -1.25 0.00 0.00 55.69 53.61 3c5x s MET 33 Cb -0.14 -2.90 -0.03 0.00 1.25 0.00 0.00 34.83 33.01 3c5x s MET 33 CO 0.06 -0.40 -0.03 0.00 1.05 0.00 0.00 175.02 175.71 3c5x s THR 35 N -0.78 4.30 -0.20 0.00 2.01 0.35 -1.51 115.64 119.81 3c5x s THR 35 Ca 0.12 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.92 3c5x s THR 35 Cb -0.11 -2.92 0.02 0.00 0.01 0.00 0.00 72.50 69.50 3c5x s THR 35 CO 0.02 0.47 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.04 3c5x s LEU 36 N 0.47 2.50 -0.06 4.42 0.20 -1.26 -2.12 118.68 122.83 3c5x s LEU 36 Ca -0.00 -0.75 0.11 0.00 0.69 0.00 0.00 54.13 54.17 3c5x s LEU 36 Cb -0.13 -1.53 0.29 0.00 -0.43 0.00 0.00 46.19 44.38 3c5x s LEU 36 CO 0.02 -0.04 1.22 0.23 -0.29 0.00 0.00 176.35 177.49 3c5x n MET 37 N 4.62 2.68 -1.52 1.98 2.81 0.17 -4.61 117.12 123.25 3c5x n MET 37 Ca -0.19 -2.20 -0.46 0.00 -1.81 0.00 0.00 57.70 53.04 3c5x n MET 37 Cb 0.49 -1.38 -0.05 0.00 -0.71 0.00 0.00 33.22 31.56 3c5x n MET 37 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3c5x n ALA 38 N -0.27 1.33 -0.07 3.04 0.00 -1.17 -4.83 120.51 118.52 3c5x n ALA 38 Ca 0.12 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.33 3c5x n ALA 38 Cb 0.53 -2.76 0.31 0.00 0.00 0.00 0.00 19.45 17.53 3c5x n ALA 38 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3c5x h MET 39 N 14.26 0.69 -0.65 0.00 2.86 -1.95 -2.71 114.93 127.43 3c5x h MET 39 Ca -0.32 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3c5x h MET 39 Cb 1.28 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.81 3c5x h MET 39 CO 1.02 0.54 0.00 -0.40 1.06 0.00 0.00 176.91 179.13 3c5x n ASP 40 N -4.38 2.27 -4.62 1.22 5.75 -1.26 -4.90 116.55 110.63 3c5x n ASP 40 Ca 0.04 -2.22 -0.43 0.00 -0.01 0.00 0.00 54.79 52.17 3c5x n ASP 40 Cb 0.12 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 3c5x n ASP 40 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3c5x s LEU 41 N -0.99 3.82 0.00 -2.12 0.20 -1.02 -4.46 118.68 114.11 3c5x s LEU 41 Ca 0.19 1.91 0.00 0.00 0.69 0.00 0.00 54.13 56.92 3c5x s LEU 41 Cb 0.13 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.37 3c5x s LEU 41 CO 0.08 -1.50 0.00 0.61 -0.29 0.00 0.00 176.35 175.25 3c5x n GLY 42 N 5.09 5.13 3.82 7.98 0.00 0.17 -4.94 105.19 122.44 3c5x n GLY 42 Ca 0.23 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 3c5x n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c5x s GLU 43 N 2.87 4.27 -0.07 1.61 0.41 0.17 -2.78 118.70 125.18 3c5x s GLU 43 Ca 0.00 0.96 -0.30 0.00 -0.41 0.00 0.00 54.97 55.23 3c5x s GLU 43 Cb 0.00 -2.67 -0.05 0.00 -1.78 0.00 0.00 34.13 29.63 3c5x s GLU 43 CO 0.00 0.26 1.58 -0.51 -0.49 0.00 0.00 175.26 176.10 3c5x s LEU 44 N -2.38 4.30 0.00 1.80 1.43 -1.26 -3.18 118.68 119.39 3c5x s LEU 44 Ca 0.50 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 3c5x s LEU 44 Cb -0.15 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.54 3c5x s LEU 44 CO 0.20 -0.89 0.00 0.00 0.23 0.00 0.00 176.35 175.88 3c5x h GLU 46 N 0.00 0.00 -4.06 0.00 5.08 -2.00 -3.32 114.58 110.28 3c5x h GLU 46 Ca 0.00 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.60 3c5x h GLU 46 Cb 0.00 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.06 3c5x h GLU 46 CO 0.00 0.00 1.47 -0.25 -1.00 0.00 0.00 179.01 179.23 3c5x n ASP 47 N -3.04 5.30 -4.86 1.42 8.00 -1.26 -4.97 116.55 117.14 3c5x n ASP 47 Ca -0.00 -3.06 -0.23 0.00 0.71 0.00 0.00 54.79 52.21 3c5x n ASP 47 Cb 0.24 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 39.80 3c5x n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3c5x s THR 48 N 0.55 4.69 0.07 -3.53 -4.23 -1.25 -1.74 115.64 110.20 3c5x s THR 48 Ca 0.40 -1.22 0.07 0.00 -1.18 0.00 0.00 61.69 59.75 3c5x s THR 48 Cb 0.02 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 3c5x s THR 48 CO 0.00 -0.29 -0.18 0.27 -0.54 0.00 0.00 174.62 173.88 3c5x s ILE 49 N -2.02 1.42 -0.05 2.99 -4.36 -0.61 -4.98 121.20 113.60 3c5x s ILE 49 Ca 0.33 -1.32 0.01 0.00 -0.26 0.00 0.00 60.65 59.42 3c5x s ILE 49 Cb -0.09 -1.30 0.02 0.00 1.25 0.00 0.00 42.46 42.34 3c5x s ILE 49 CO 0.26 -0.05 -0.06 -0.89 0.24 0.00 0.00 174.94 174.44 3c5x s THR 50 N -1.07 0.61 0.31 8.37 2.01 -1.26 -2.95 115.64 121.65 3c5x s THR 50 Ca 0.03 -0.17 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 3c5x s THR 50 Cb -0.09 -0.62 0.05 0.00 0.01 0.00 0.00 72.50 71.85 3c5x s THR 50 CO 0.03 0.24 0.81 -0.72 -0.69 0.00 0.00 174.62 174.28 3c5x s TYR 51 N 0.85 -0.01 -0.06 4.92 -0.85 -0.64 -4.99 117.35 116.56 3c5x s TYR 51 Ca -0.12 -0.54 -0.12 0.00 -0.52 0.00 0.00 57.07 55.77 3c5x s TYR 51 Cb -0.15 0.77 -0.05 0.00 0.38 0.00 0.00 41.96 42.91 3c5x s TYR 51 CO 0.01 -1.34 0.29 0.21 -1.52 0.00 0.00 175.55 173.20 3c5x s LYS 52 N -2.89 3.77 -0.45 -3.49 2.47 -1.26 0.07 119.74 117.96 3c5x s LYS 52 Ca 0.14 0.17 -0.11 0.00 -1.56 0.00 0.00 55.97 54.61 3c5x s LYS 52 Cb -0.05 -3.23 0.09 0.00 -1.46 0.00 0.00 37.83 33.18 3c5x s LYS 52 CO 0.09 0.68 0.32 0.00 0.16 0.00 0.00 175.35 176.59 3c5x s PRO 54 N 1.46 2.53 -0.05 0.00 0.04 -1.25 -1.71 135.00 136.02 3c5x s PRO 54 Ca 0.04 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 3c5x s PRO 54 Cb -0.24 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3c5x s PRO 54 CO 0.02 -1.46 1.08 -1.17 0.04 0.00 0.00 177.00 175.51 3c5x s LEU 55 N -5.22 4.29 -0.18 -3.56 2.96 -1.26 -0.94 118.68 114.76 3c5x s LEU 55 Ca 0.66 1.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.27 3c5x s LEU 55 Cb -0.21 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3c5x s LEU 55 CO 0.46 -0.46 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.09 3c5x s LEU 56 N 1.80 2.26 -0.05 -0.68 1.43 -0.06 -4.92 118.68 118.45 3c5x s LEU 56 Ca 0.52 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3c5x s LEU 56 Cb -0.22 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3c5x s LEU 56 CO 0.22 0.00 -0.05 0.03 0.23 0.00 0.00 176.35 176.78 3c5x h ARG 57 N 7.94 0.00 -1.51 1.70 2.47 -1.89 -3.41 114.38 119.68 3c5x h ARG 57 Ca -0.45 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 57.83 3c5x h ARG 57 Cb 1.15 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 29.13 3c5x h ARG 57 CO 0.63 0.00 -0.99 1.04 0.56 0.00 0.00 179.97 181.21 3c5x n GLN 58 N -3.14 0.87 -3.71 0.04 1.13 -1.26 -5.09 117.38 106.21 3c5x n GLN 58 Ca -0.02 -2.95 -0.12 0.00 -1.94 0.00 0.00 57.00 51.97 3c5x n GLN 58 Cb 0.07 -1.42 -0.10 0.00 0.11 0.00 0.00 30.24 28.91 3c5x n GLN 58 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3c5x s ASN 59 N -1.76 -0.50 0.45 1.08 0.01 -1.26 -5.15 114.94 107.80 3c5x s ASN 59 Ca 0.35 0.94 -0.25 0.00 -0.71 0.00 0.00 52.86 53.19 3c5x s ASN 59 Cb 0.27 0.92 -0.08 0.00 0.41 0.00 0.00 41.25 42.77 3c5x s ASN 59 CO -0.11 -0.17 1.34 -1.61 -1.51 0.00 0.00 177.10 175.04 3c5x s GLU 60 N 0.55 3.72 0.45 -0.60 0.41 -1.26 -4.96 118.70 117.02 3c5x s GLU 60 Ca -0.03 2.22 -0.23 0.00 -0.41 0.00 0.00 54.97 56.53 3c5x s GLU 60 Cb -0.04 -2.61 -0.08 0.00 -1.78 0.00 0.00 34.13 29.62 3c5x s GLU 60 CO -0.03 -0.72 1.13 -1.25 -0.49 0.00 0.00 175.26 173.90 3c5x s PRO 61 N -2.46 3.82 -0.08 0.39 0.04 -1.26 -5.04 135.00 130.42 3c5x s PRO 61 Ca 0.61 1.67 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 3c5x s PRO 61 Cb -0.39 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 31.81 3c5x s PRO 61 CO 0.50 -0.47 0.17 -2.00 0.04 0.00 0.00 177.00 175.23 3c5x s GLU 62 N -2.73 0.08 -1.75 4.56 -6.30 -1.26 -4.88 118.70 106.41 3c5x s GLU 62 Ca 0.63 0.48 -0.01 0.00 -2.50 0.00 0.00 54.97 53.58 3c5x s GLU 62 Cb -0.26 -0.20 0.00 0.00 0.00 0.00 0.00 34.13 33.67 3c5x s GLU 62 CO 0.31 -0.23 0.07 -3.47 0.02 0.00 0.00 175.26 171.96 3c5x n ASP 63 N 4.72 -5.91 -4.05 -1.70 4.64 -1.26 -4.99 116.55 107.99 3c5x n ASP 63 Ca -0.17 -0.04 -0.08 0.00 -1.38 0.00 0.00 54.79 53.12 3c5x n ASP 63 Cb 0.51 -4.91 -0.10 0.00 -1.04 0.00 0.00 41.12 35.58 3c5x n ASP 63 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3c5x s ILE 64 N -3.05 0.18 -0.08 5.18 -4.36 -1.26 -5.06 121.20 112.75 3c5x s ILE 64 Ca 0.03 -1.51 0.12 0.00 -0.26 0.00 0.00 60.65 59.04 3c5x s ILE 64 Cb -0.02 -1.12 0.19 0.00 1.25 0.00 0.00 42.46 42.76 3c5x s ILE 64 CO 0.04 -0.83 1.10 -0.90 0.24 0.00 0.00 174.94 174.59 3c5x n ASP 65 N 0.57 1.50 -3.64 4.36 3.85 -1.26 -5.02 116.55 116.92 3c5x n ASP 65 Ca -0.17 -2.70 -0.09 0.00 -0.71 0.00 0.00 54.79 51.12 3c5x n ASP 65 Cb 0.59 -0.35 -0.07 0.00 -1.35 0.00 0.00 41.12 39.94 3c5x n ASP 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3c5x s TRP 67 N 1.32 -0.45 0.18 0.00 -2.14 -0.90 -3.86 118.94 113.09 3c5x s TRP 67 Ca -0.07 0.18 0.06 0.00 2.66 0.00 0.00 56.10 58.93 3c5x s TRP 67 Cb -0.05 0.57 -0.05 0.00 -3.10 0.00 0.00 33.47 30.84 3c5x s TRP 67 CO -0.15 -0.92 -0.11 0.00 -2.66 0.00 0.00 176.95 173.12 3c5x n ASN 69 N -0.31 1.77 0.00 0.00 6.94 -0.86 -0.88 115.26 121.93 3c5x n ASN 69 Ca -0.09 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 3c5x n ASN 69 Cb 0.61 0.56 0.00 0.00 -2.36 0.00 0.00 39.78 38.59 3c5x n ASN 69 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3c5x n SER 70 N -0.35 0.48 -3.77 0.53 2.88 -1.26 -4.82 113.62 107.30 3c5x n SER 70 Ca 0.08 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.49 3c5x n SER 70 Cb 0.44 0.02 -0.15 0.00 -0.75 0.00 0.00 64.21 63.77 3c5x n SER 70 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3c5x s THR 71 N -1.11 -0.04 0.19 2.46 2.01 -1.26 -5.04 115.64 112.84 3c5x s THR 71 Ca 0.00 0.15 -0.32 0.00 0.31 0.00 0.00 61.69 61.83 3c5x s THR 71 Cb 0.00 -0.18 -0.12 0.00 0.01 0.00 0.00 72.50 72.21 3c5x s THR 71 CO 0.00 0.06 1.76 -0.24 -0.69 0.00 0.00 174.62 175.51 3c5x n SER 72 N 3.96 4.02 -4.14 3.53 2.88 -1.26 -4.72 113.62 117.89 3c5x n SER 72 Ca -0.24 1.04 -0.21 0.00 -1.33 0.00 0.00 58.87 58.13 3c5x n SER 72 Cb 0.53 -1.57 -0.14 0.00 -0.75 0.00 0.00 64.21 62.28 3c5x n SER 72 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3c5x s THR 73 N 1.57 1.15 0.36 2.46 2.01 -0.69 -4.55 115.64 117.95 3c5x s THR 73 Ca 0.77 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 3c5x s THR 73 Cb -0.50 -1.01 -0.09 0.00 0.01 0.00 0.00 72.50 70.91 3c5x s THR 73 CO 0.33 0.12 0.78 0.26 -0.69 0.00 0.00 174.62 175.42 3c5x s TRP 74 N -0.68 3.38 0.03 4.92 0.52 -0.31 0.01 118.94 126.80 3c5x s TRP 74 Ca 0.03 1.26 0.02 0.00 0.02 0.00 0.00 56.10 57.43 3c5x s TRP 74 Cb -0.07 -2.58 -0.02 0.00 -1.15 0.00 0.00 33.47 29.65 3c5x s TRP 74 CO 0.01 0.02 -0.07 0.54 0.02 0.00 0.00 176.95 177.47 3c5x s VAL 75 N -2.09 0.49 -0.02 4.03 0.11 0.11 -0.70 120.40 122.32 3c5x s VAL 75 Ca 0.55 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 3c5x s VAL 75 Cb -0.10 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3c5x s VAL 75 CO 0.19 -0.28 0.05 -0.89 -3.33 0.00 0.00 175.10 170.84 3c5x s THR 76 N -1.10 -0.03 0.18 5.04 2.01 0.08 -1.63 115.64 120.18 3c5x s THR 76 Ca -0.08 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 3c5x s THR 76 Cb -0.08 -0.09 -0.00 0.00 0.01 0.00 0.00 72.50 72.33 3c5x s THR 76 CO 0.00 0.05 0.35 -0.72 -0.69 0.00 0.00 174.62 173.61 3c5x s TYR 77 N 0.67 0.32 0.31 4.92 1.13 -1.15 -0.78 117.35 122.77 3c5x s TYR 77 Ca -0.05 -0.68 0.06 0.00 -1.41 0.00 0.00 57.07 54.99 3c5x s TYR 77 Cb -0.08 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.81 3c5x s TYR 77 CO -0.02 -0.79 0.42 0.20 -2.51 0.00 0.00 175.55 172.85 3c5x s GLY 78 N -2.96 1.52 0.00 5.49 0.00 -1.25 -1.57 107.32 108.54 3c5x s GLY 78 Ca 0.17 -1.42 0.06 0.00 0.00 0.00 0.00 44.72 43.52 3c5x s GLY 78 CO 0.01 -1.37 0.90 -1.30 0.00 0.00 0.00 173.10 171.35 3c5x n THR 79 N -1.55 0.49 -2.10 0.90 -2.24 -0.71 0.46 114.28 109.54 3c5x n THR 79 Ca -0.03 -0.75 -0.38 0.00 -2.27 0.00 0.00 64.05 60.62 3c5x n THR 79 Cb 0.58 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 3c5x n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50