#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h n GLY 2 N 0.00 -0.87 3.05 3.17 0.00 -1.26 -5.01 105.19 104.26 2k5h n GLY 2 Ca 0.00 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 2k5h n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k5h s SER 3 N -2.03 4.93 -0.48 1.61 1.04 -1.26 -4.98 113.70 112.53 2k5h s SER 3 Ca 0.07 -2.84 0.04 0.00 0.48 0.00 0.00 55.95 53.69 2k5h s SER 3 Cb -0.02 -1.78 0.16 0.00 0.10 0.00 0.00 66.02 64.49 2k5h s SER 3 CO 0.35 -0.33 0.36 -0.94 0.98 0.00 0.00 173.24 173.65 2k5h s SER 4 N 0.44 2.57 -0.33 7.02 1.04 -1.26 -5.05 113.70 118.13 2k5h s SER 4 Ca 0.16 -3.16 0.01 0.00 0.48 0.00 0.00 55.95 53.44 2k5h s SER 4 Cb -0.22 -0.78 0.10 0.00 0.10 0.00 0.00 66.02 65.22 2k5h s SER 4 CO -0.03 -0.17 0.11 -1.00 0.98 0.00 0.00 173.24 173.13 2k5h s HIS 5 N -0.22 2.15 -0.02 5.02 3.76 -1.26 -5.10 115.29 119.62 2k5h s HIS 5 Ca 0.28 -2.07 0.01 0.00 -0.15 0.00 0.00 55.06 53.13 2k5h s HIS 5 Cb -0.03 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.69 2k5h s HIS 5 CO -0.16 -0.88 -0.04 -1.01 -0.85 0.00 0.00 174.74 171.80 2k5h s HIS 6 N 1.32 0.58 0.34 1.40 0.09 -1.26 -5.16 115.29 112.60 2k5h s HIS 6 Ca 0.11 -0.12 0.07 0.00 -0.00 0.00 0.00 55.06 55.11 2k5h s HIS 6 Cb -0.18 -0.47 -0.01 0.00 -0.00 0.00 0.00 32.58 31.91 2k5h s HIS 6 CO -0.19 -0.09 0.46 -1.01 -0.00 0.00 0.00 174.74 173.90 2k5h s HIS 7 N 0.43 3.08 -0.42 1.40 3.76 -1.26 -5.08 115.29 117.20 2k5h s HIS 7 Ca -0.05 -0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 54.49 2k5h s HIS 7 Cb -0.09 -1.99 0.05 0.00 1.11 0.00 0.00 32.58 31.66 2k5h s HIS 7 CO -0.00 -0.01 0.30 -1.01 -0.85 0.00 0.00 174.74 173.17 2k5h s HIS 8 N -2.20 3.26 -1.27 1.40 0.09 -1.26 -4.99 115.29 110.32 2k5h s HIS 8 Ca 0.45 -0.96 -0.13 0.00 -0.00 0.00 0.00 55.06 54.42 2k5h s HIS 8 Cb -0.09 -2.79 0.14 0.00 -0.00 0.00 0.00 32.58 29.84 2k5h s HIS 8 CO 0.31 -0.71 1.70 -2.39 -0.00 0.00 0.00 174.74 173.64 2k5h n HIS 9 N 5.09 4.11 -2.55 1.40 -0.00 -1.26 -4.93 115.22 117.07 2k5h n HIS 9 Ca -0.11 -3.06 -0.41 0.00 -0.00 0.00 0.00 57.72 54.13 2k5h n HIS 9 Cb 0.45 -2.20 -0.03 0.00 -0.00 0.00 0.00 29.99 28.21 2k5h n HIS 9 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k5h s HIS 10 N 1.66 2.50 -0.17 -1.40 -3.43 -1.26 -4.88 115.29 108.31 2k5h s HIS 10 Ca 0.44 -0.77 -0.04 0.00 -0.80 0.00 0.00 55.06 53.89 2k5h s HIS 10 Cb 0.04 -4.69 0.08 0.00 -1.43 0.00 0.00 32.58 26.59 2k5h s HIS 10 CO 0.01 -1.95 0.24 0.45 -2.00 0.00 0.00 174.74 171.49 2k5h s SER 11 N 4.95 0.89 -0.57 7.38 0.15 -1.26 -5.09 113.70 120.15 2k5h s SER 11 Ca 0.46 0.13 -0.01 0.00 0.70 0.00 0.00 55.95 57.23 2k5h s SER 11 Cb -0.01 0.54 0.15 0.00 -1.71 0.00 0.00 66.02 64.99 2k5h s SER 11 CO -0.08 -0.29 0.35 -0.55 1.20 0.00 0.00 173.24 173.87 2k5h s SER 12 N 2.37 4.98 -0.03 5.45 0.15 -1.26 -5.08 113.70 120.28 2k5h s SER 12 Ca 0.05 -2.79 -0.11 0.00 0.70 0.00 0.00 55.95 53.80 2k5h s SER 12 Cb -0.14 -1.79 -0.05 0.00 -1.71 0.00 0.00 66.02 62.33 2k5h s SER 12 CO -0.11 -0.35 0.30 -0.83 1.20 0.00 0.00 173.24 173.46 2k5h s GLY 13 N 0.54 2.34 -0.21 9.45 0.00 -1.26 -5.08 107.32 113.09 2k5h s GLY 13 Ca 0.16 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.36 2k5h s GLY 13 CO -0.03 -0.12 0.50 -1.60 0.00 0.00 0.00 173.10 171.86 2k5h s ARG 14 N -1.21 0.47 -0.34 2.90 3.52 -1.26 -5.13 118.95 117.90 2k5h s ARG 14 Ca 0.22 1.01 -0.09 0.00 -0.13 0.00 0.00 55.73 56.74 2k5h s ARG 14 Cb -0.14 0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.45 2k5h s ARG 14 CO 0.11 -0.18 0.15 -1.21 -0.81 0.00 0.00 175.30 173.36 2k5h s GLU 15 N 1.88 2.96 -1.30 5.12 2.02 -1.26 -5.01 118.70 123.11 2k5h s GLU 15 Ca -0.07 -0.97 -0.17 0.00 0.02 0.00 0.00 54.97 53.78 2k5h s GLU 15 Cb -0.09 -3.58 0.09 0.00 0.10 0.00 0.00 34.13 30.65 2k5h s GLU 15 CO -0.15 -0.58 1.74 0.09 0.02 0.00 0.00 175.26 176.38 2k5h n ASN 16 N 4.94 4.89 -4.28 -0.19 3.02 -1.26 -4.93 115.26 117.45 2k5h n ASN 16 Ca -0.13 -2.93 -0.21 0.00 -0.03 0.00 0.00 54.58 51.28 2k5h n ASN 16 Cb 0.47 -1.70 -0.12 0.00 -0.61 0.00 0.00 39.78 37.82 2k5h n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k5h s LEU 17 N 3.45 2.38 -0.38 3.41 1.43 -1.26 -5.11 118.68 122.59 2k5h s LEU 17 Ca 0.51 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 2k5h s LEU 17 Cb 0.04 -0.73 0.01 0.00 0.03 0.00 0.00 46.19 45.53 2k5h s LEU 17 CO 0.05 -0.05 0.40 -0.31 0.23 0.00 0.00 176.35 176.67 2k5h s TYR 18 N -1.77 3.19 -0.08 0.29 2.02 -1.26 -5.06 117.35 114.68 2k5h s TYR 18 Ca 0.10 -0.23 -0.06 0.00 -0.37 0.00 0.00 57.07 56.51 2k5h s TYR 18 Cb -0.07 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.67 2k5h s TYR 18 CO 0.05 -0.57 0.17 0.12 -1.57 0.00 0.00 175.55 173.75 2k5h s PHE 19 N 2.06 3.59 0.00 2.71 5.36 -1.26 -5.10 117.98 125.35 2k5h s PHE 19 Ca 0.12 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2k5h s PHE 19 Cb -0.17 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 2k5h s PHE 19 CO 0.12 0.71 0.00 1.04 -1.46 0.00 0.00 175.22 175.63 2k5h n GLN 20 N 1.69 2.34 0.00 10.12 6.02 -1.26 -5.13 117.38 131.16 2k5h n GLN 20 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2k5h n GLN 20 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 2k5h n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k5h n GLY 21 N 4.17 1.86 2.71 1.08 0.00 -1.26 -5.08 105.19 108.66 2k5h n GLY 21 Ca 0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 2k5h n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5h s HIS 22 N -0.05 -0.16 -0.17 1.61 5.04 -1.26 -5.13 115.29 115.18 2k5h s HIS 22 Ca 0.00 0.04 -0.03 0.00 -1.54 0.00 0.00 55.06 53.53 2k5h s HIS 22 Cb 0.00 -0.46 -0.02 0.00 0.04 0.00 0.00 32.58 32.14 2k5h s HIS 22 CO 0.00 -0.61 -0.07 -1.64 -2.34 0.00 0.00 174.74 170.08 2k5h s MET 23 N 2.28 3.46 -0.50 2.88 -1.94 -1.26 -5.07 119.30 119.15 2k5h s MET 23 Ca 0.06 -0.62 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 2k5h s MET 23 Cb -0.16 -2.86 0.13 0.00 2.01 0.00 0.00 34.83 33.96 2k5h s MET 23 CO -0.13 0.06 0.27 0.00 -0.01 0.00 0.00 175.02 175.21 2k5h s ALA 24 N 0.79 3.29 -0.41 3.03 0.00 -1.26 -5.04 121.76 122.16 2k5h s ALA 24 Ca -0.03 -2.98 -0.11 0.00 0.00 0.00 0.00 51.96 48.85 2k5h s ALA 24 Cb -0.15 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.68 2k5h s ALA 24 CO 0.01 -1.94 0.27 0.00 0.00 0.00 0.00 175.76 174.10 2k5h s ALA 25 N 0.31 3.34 -1.24 0.00 0.00 -1.26 -5.01 121.76 117.90 2k5h s ALA 25 Ca 0.14 -1.97 -0.19 0.00 0.00 0.00 0.00 51.96 49.93 2k5h s ALA 25 Cb -0.22 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.23 2k5h s ALA 25 CO -0.03 -1.57 1.74 -0.98 0.00 0.00 0.00 175.76 174.92 2k5h s ARG 26 N 1.52 3.68 -0.31 0.00 1.70 -1.26 -4.93 118.95 119.35 2k5h s ARG 26 Ca 0.03 -1.73 -0.29 0.00 -0.47 0.00 0.00 55.73 53.27 2k5h s ARG 26 Cb -0.22 -5.46 0.00 0.00 -0.57 0.00 0.00 34.95 28.70 2k5h s ARG 26 CO 0.05 -2.54 1.31 0.42 -1.08 0.00 0.00 175.30 173.46 2k5h s ILE 27 N 5.47 4.13 -0.99 4.99 1.01 -1.26 -4.96 121.20 129.58 2k5h s ILE 27 Ca 0.56 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 62.29 2k5h s ILE 27 Cb 0.03 -4.17 0.14 0.00 0.01 0.00 0.00 42.46 38.47 2k5h s ILE 27 CO 0.06 -0.50 1.20 0.42 0.00 0.00 0.00 174.94 176.12 2k5h s THR 28 N 4.44 4.79 -1.02 2.92 -4.23 -1.26 -4.92 115.64 116.36 2k5h s THR 28 Ca 0.56 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.23 2k5h s THR 28 Cb -0.16 -4.81 0.29 0.00 1.34 0.00 0.00 72.50 69.16 2k5h s THR 28 CO 0.24 -1.54 1.30 0.61 -0.54 0.00 0.00 174.62 174.69 2k5h n GLY 29 N 5.19 4.92 3.34 3.99 0.00 -1.26 -5.00 105.19 116.37 2k5h n GLY 29 Ca 0.27 -2.66 -0.27 0.00 0.00 0.00 0.00 46.02 43.36 2k5h n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 30 N -2.44 1.28 0.65 1.61 2.02 -1.26 -5.15 118.70 115.41 2k5h s GLU 30 Ca 0.32 -1.26 -0.11 0.00 0.02 0.00 0.00 54.97 53.94 2k5h s GLU 30 Cb 0.03 -1.67 0.16 0.00 0.10 0.00 0.00 34.13 32.75 2k5h s GLU 30 CO 0.05 0.39 0.66 -0.35 0.02 0.00 0.00 175.26 176.04 2k5h n PRO 31 N 1.02 -1.76 -2.05 0.39 -0.04 -1.26 -4.94 135.00 126.36 2k5h n PRO 31 Ca -0.19 -1.05 -0.43 0.00 -0.04 0.00 0.00 63.50 61.80 2k5h n PRO 31 Cb 0.53 -0.88 -0.03 0.00 -0.04 0.00 0.00 33.50 33.08 2k5h n PRO 31 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2k5h s SER 32 N -3.37 6.34 0.83 3.54 0.01 -1.26 -5.00 113.70 114.80 2k5h s SER 32 Ca 0.41 1.72 -0.12 0.00 1.31 0.00 0.00 55.95 59.27 2k5h s SER 32 Cb -0.03 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.79 2k5h s SER 32 CO 0.31 -1.28 1.18 -0.54 0.41 0.00 0.00 173.24 173.32 2k5h s LYS 33 N 4.74 1.56 -0.01 12.44 1.02 -1.26 -4.97 119.74 133.26 2k5h s LYS 33 Ca 0.74 -0.20 0.11 0.00 0.02 0.00 0.00 55.97 56.64 2k5h s LYS 33 Cb -0.27 -1.98 0.34 0.00 -0.52 0.00 0.00 37.83 35.41 2k5h s LYS 33 CO 0.30 -1.79 1.27 0.36 -0.92 0.00 0.00 175.35 174.57 2k5h n LYS 34 N -3.36 1.99 -2.52 1.68 2.85 -1.26 -4.84 118.16 112.70 2k5h n LYS 34 Ca 0.11 -1.39 -0.42 0.00 -1.05 0.00 0.00 58.31 55.55 2k5h n LYS 34 Cb 0.60 -1.36 -0.03 0.00 -0.65 0.00 0.00 35.03 33.60 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k5h s ALA 35 N -1.53 3.47 -0.02 0.58 0.00 -1.26 -4.94 121.76 118.05 2k5h s ALA 35 Ca 0.26 0.56 -0.32 0.00 0.00 0.00 0.00 51.96 52.46 2k5h s ALA 35 Cb 0.14 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2k5h s ALA 35 CO 0.16 -0.71 1.95 1.55 0.00 0.00 0.00 175.76 178.71 2k5h n VAL 36 N 4.58 0.69 -2.59 0.00 3.14 -1.26 -4.93 118.33 117.96 2k5h n VAL 36 Ca 0.10 -0.13 -0.41 0.00 -2.96 0.00 0.00 64.34 60.94 2k5h n VAL 36 Cb 0.47 -2.14 -0.04 0.00 -1.06 0.00 0.00 33.84 31.07 2k5h n VAL 36 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2k5h s SER 37 N 4.41 7.32 0.00 6.55 0.01 -1.26 -4.91 113.70 125.81 2k5h s SER 37 Ca 0.91 1.95 0.00 0.00 1.31 0.00 0.00 55.95 60.12 2k5h s SER 37 Cb -0.54 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.10 2k5h s SER 37 CO 0.46 -0.21 0.69 0.47 0.41 0.00 0.00 173.24 175.06 2k5h n ASP 38 N 2.87 0.08 0.10 2.44 9.92 -1.26 -3.12 116.55 127.58 2k5h n ASP 38 Ca 0.04 -1.47 0.11 0.00 -0.53 0.00 0.00 54.79 52.94 2k5h n ASP 38 Cb 0.48 -0.04 0.45 0.00 -0.64 0.00 0.00 41.12 41.37 2k5h n ASP 38 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2k5h n ARG 39 N -0.43 0.16 0.16 -1.24 1.85 -1.26 -2.03 116.66 113.86 2k5h n ARG 39 Ca 0.00 0.37 0.09 0.00 -1.00 0.00 0.00 57.85 57.31 2k5h n ARG 39 Cb 0.02 -1.79 0.07 0.00 -1.05 0.00 0.00 32.46 29.71 2k5h n ARG 39 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2k5h h LEU 40 N 0.00 0.00 -9.19 2.89 3.38 -1.96 -3.45 115.31 106.98 2k5h h LEU 40 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2k5h h LEU 40 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2k5h h LEU 40 CO 0.00 0.15 1.04 -0.63 0.09 0.00 0.00 178.44 179.09 2k5h s ILE 41 N -3.18 3.81 0.00 1.22 -1.09 -0.86 -2.38 121.20 118.72 2k5h s ILE 41 Ca 0.04 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 2k5h s ILE 41 Cb 0.07 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2k5h s ILE 41 CO 0.73 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 2k5h n GLY 42 N 4.06 0.91 3.88 6.18 0.00 0.34 -5.03 105.19 115.52 2k5h n GLY 42 Ca 0.16 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2k5h n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5h s ARG 43 N -0.78 2.32 0.02 1.61 0.52 -1.00 -4.92 118.95 116.71 2k5h s ARG 43 Ca 0.00 -1.88 -0.03 0.00 -0.52 0.00 0.00 55.73 53.30 2k5h s ARG 43 Cb 0.00 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 2k5h s ARG 43 CO 0.00 -0.48 0.22 0.21 0.02 0.00 0.00 175.30 175.27 2k5h s LYS 44 N -4.22 3.49 0.31 3.54 2.20 -1.26 -1.48 119.74 122.31 2k5h s LYS 44 Ca 0.39 -0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 2k5h s LYS 44 Cb -0.02 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2k5h s LYS 44 CO 0.24 0.64 0.12 0.20 -0.36 0.00 0.00 175.35 176.18 2k5h s GLY 45 N -2.01 2.04 0.03 5.54 0.00 0.15 -4.85 107.32 108.23 2k5h s GLY 45 Ca 0.30 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 43.33 2k5h s GLY 45 CO 0.20 -1.67 -0.23 0.54 0.00 0.00 0.00 173.10 171.94 2k5h s VAL 46 N -3.54 1.87 -0.26 1.40 0.11 -1.09 -0.04 120.40 118.85 2k5h s VAL 46 Ca 0.35 -1.23 -0.25 0.00 -2.93 0.00 0.00 61.98 57.92 2k5h s VAL 46 Cb 0.06 -1.60 -0.00 0.00 -1.53 0.00 0.00 36.38 33.31 2k5h s VAL 46 CO 0.15 0.32 0.86 -0.69 -3.33 0.00 0.00 175.10 172.42 2k5h s VAL 47 N -0.75 4.79 -0.16 2.04 1.01 0.08 -0.28 120.40 127.13 2k5h s VAL 47 Ca 0.09 1.57 0.09 0.00 0.00 0.00 0.00 61.98 63.74 2k5h s VAL 47 Cb -0.09 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 31.90 2k5h s VAL 47 CO 0.01 -0.14 0.22 0.23 0.00 0.00 0.00 175.10 175.42 2k5h n MET 48 N 6.13 0.68 -4.48 2.72 2.81 0.70 -0.46 117.12 125.21 2k5h n MET 48 Ca 0.06 0.15 -0.21 0.00 -1.81 0.00 0.00 57.70 55.90 2k5h n MET 48 Cb 0.47 -1.63 -0.15 0.00 -0.71 0.00 0.00 33.22 31.20 2k5h n MET 48 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k5h s GLU 49 N -2.54 1.05 0.26 0.03 2.12 -0.38 -4.83 118.70 114.41 2k5h s GLU 49 Ca -0.16 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.49 2k5h s GLU 49 Cb 0.07 -0.98 -0.14 0.00 0.26 0.00 0.00 34.13 33.35 2k5h s GLU 49 CO 0.77 0.18 1.25 0.00 -0.54 0.00 0.00 175.26 176.91 2k5h n ALA 50 N 3.10 0.46 -2.91 6.30 0.00 -1.26 -2.74 120.51 123.46 2k5h n ALA 50 Ca -0.17 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 2k5h n ALA 50 Cb 0.55 -2.16 -0.14 0.00 0.00 0.00 0.00 19.45 17.69 2k5h n ALA 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 51 N -0.50 2.90 0.15 0.00 1.01 -0.42 -4.04 121.20 120.30 2k5h s ILE 51 Ca 0.65 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.60 2k5h s ILE 51 Cb -0.69 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2k5h s ILE 51 CO 0.55 0.55 -0.08 -0.94 0.00 0.00 0.00 174.94 175.02 2k5h s SER 52 N 0.04 1.68 0.60 3.58 1.04 0.51 -0.36 113.70 120.79 2k5h s SER 52 Ca -0.05 -1.05 0.31 0.00 0.48 0.00 0.00 55.95 55.64 2k5h s SER 52 Cb -0.15 0.01 1.75 0.00 0.10 0.00 0.00 66.02 67.74 2k5h s SER 52 CO 0.05 -0.38 2.12 -0.65 0.98 0.00 0.00 173.24 175.35 2k5h h PRO 53 N 2.76 0.00 0.00 4.02 0.11 -1.66 -3.13 132.00 134.10 2k5h h PRO 53 Ca -0.37 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 2k5h h PRO 53 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2k5h h PRO 53 CO 0.64 0.00 -0.88 0.94 -0.21 0.00 0.00 178.00 178.49 2k5h n GLN 54 N -3.65 0.50 -3.70 1.05 7.27 -1.26 -4.89 117.38 112.70 2k5h n GLN 54 Ca 0.01 0.45 -0.37 0.00 0.07 0.00 0.00 57.00 57.15 2k5h n GLN 54 Cb 0.29 -1.64 -0.12 0.00 2.41 0.00 0.00 30.24 31.18 2k5h n GLN 54 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2k5h s ASN 55 N -6.08 5.36 0.83 1.69 2.47 -1.18 -5.09 114.94 112.94 2k5h s ASN 55 Ca -0.22 -0.34 -0.11 0.00 0.42 0.00 0.00 52.86 52.62 2k5h s ASN 55 Cb 0.04 -1.96 0.09 0.00 -1.45 0.00 0.00 41.25 37.97 2k5h s ASN 55 CO 0.34 -0.10 1.10 -0.44 -3.72 0.00 0.00 177.10 174.28 2k5h s SER 56 N 1.62 3.91 0.00 -4.21 0.01 -1.25 -0.36 113.70 113.42 2k5h s SER 56 Ca 0.05 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.17 2k5h s SER 56 Cb -0.16 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2k5h s SER 56 CO 0.05 -2.42 0.00 0.61 0.41 0.00 0.00 173.24 171.89 2k5h n GLY 57 N -0.83 4.80 3.33 3.44 0.00 -0.91 -4.75 105.19 110.27 2k5h n GLY 57 Ca 0.09 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 2k5h n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5h s LEU 58 N 0.00 2.20 0.09 0.99 1.43 -1.11 -0.52 118.68 121.76 2k5h s LEU 58 Ca 0.00 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2k5h s LEU 58 Cb 0.00 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 2k5h s LEU 58 CO 0.00 0.30 -0.15 0.68 0.23 0.00 0.00 176.35 177.41 2k5h s VAL 59 N -0.49 1.24 -0.32 -1.59 -7.23 0.31 -0.22 120.40 112.10 2k5h s VAL 59 Ca 0.06 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 2k5h s VAL 59 Cb -0.11 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 2k5h s VAL 59 CO 0.01 -0.27 0.29 -0.75 -0.31 0.00 0.00 175.10 174.07 2k5h s LYS 60 N -2.07 3.67 -0.10 4.82 2.47 0.61 -0.25 119.74 128.90 2k5h s LYS 60 Ca 0.02 -0.41 -0.01 0.00 -1.56 0.00 0.00 55.97 54.01 2k5h s LYS 60 Cb -0.08 -3.76 0.03 0.00 -1.46 0.00 0.00 37.83 32.56 2k5h s LYS 60 CO 0.03 -0.40 -0.03 0.08 0.16 0.00 0.00 175.35 175.18 2k5h s VAL 61 N 1.88 0.68 0.00 4.02 1.01 0.11 -2.68 120.40 125.43 2k5h s VAL 61 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2k5h s VAL 61 Cb -0.17 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2k5h s VAL 61 CO 0.11 0.28 0.00 -0.67 0.00 0.00 0.00 175.10 174.82 2k5h n ASP 62 N 5.05 -4.08 0.00 3.32 2.03 -1.26 -1.86 116.55 119.74 2k5h n ASP 62 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2k5h n ASP 62 Cb 0.50 -1.98 0.00 0.00 -0.72 0.00 0.00 41.12 38.92 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5h n GLY 63 N -1.03 2.63 3.94 0.27 0.00 -1.26 -5.08 105.19 104.66 2k5h n GLY 63 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2k5h n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 64 N -0.37 3.47 -0.29 1.61 0.41 -0.78 -5.06 118.70 117.69 2k5h s GLU 64 Ca 0.00 -0.50 -0.11 0.00 -0.41 0.00 0.00 54.97 53.95 2k5h s GLU 64 Cb 0.00 -2.89 -0.04 0.00 -1.78 0.00 0.00 34.13 29.43 2k5h s GLU 64 CO 0.00 0.44 0.18 0.99 -0.49 0.00 0.00 175.26 176.38 2k5h s THR 65 N -1.86 5.11 0.35 3.63 2.01 -1.26 0.09 115.64 123.70 2k5h s THR 65 Ca 0.36 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.45 2k5h s THR 65 Cb -0.11 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 2k5h s THR 65 CO 0.29 0.19 -0.04 0.26 -0.69 0.00 0.00 174.62 174.63 2k5h s TRP 66 N 1.72 2.47 0.24 4.92 0.52 0.65 -4.93 118.94 124.53 2k5h s TRP 66 Ca 0.07 -0.49 -0.18 0.00 0.02 0.00 0.00 56.10 55.52 2k5h s TRP 66 Cb -0.16 -1.46 -0.08 0.00 -1.15 0.00 0.00 33.47 30.62 2k5h s TRP 66 CO 0.10 0.53 0.70 1.03 0.02 0.00 0.00 176.95 179.32 2k5h s ARG 67 N -3.66 4.14 -0.00 4.98 3.00 -1.26 -0.53 118.95 125.61 2k5h s ARG 67 Ca 0.34 0.75 0.02 0.00 0.00 0.00 0.00 55.73 56.84 2k5h s ARG 67 Cb 0.02 -2.77 -0.01 0.00 0.00 0.00 0.00 34.95 32.19 2k5h s ARG 67 CO 0.18 0.35 -0.07 0.00 0.00 0.00 0.00 175.30 175.76 2k5h s ALA 68 N -1.63 0.55 -0.09 2.13 0.00 0.32 -0.11 121.76 122.93 2k5h s ALA 68 Ca 0.45 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.16 2k5h s ALA 68 Cb -0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2k5h s ALA 68 CO 0.20 0.13 -0.22 0.95 0.00 0.00 0.00 175.76 176.82 2k5h s THR 69 N -0.17 2.25 -0.03 0.00 -4.23 0.55 -2.15 115.64 111.87 2k5h s THR 69 Ca 0.02 -0.97 -0.11 0.00 -1.18 0.00 0.00 61.69 59.46 2k5h s THR 69 Cb -0.03 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.97 2k5h s THR 69 CO -0.00 0.56 0.24 -0.55 -0.54 0.00 0.00 174.62 174.33 2k5h s SER 70 N 0.15 -0.14 -0.24 3.99 0.15 -1.26 -2.97 113.70 113.38 2k5h s SER 70 Ca -0.12 0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.64 2k5h s SER 70 Cb -0.16 0.34 0.21 0.00 -1.71 0.00 0.00 66.02 64.69 2k5h s SER 70 CO 0.07 -0.33 1.82 0.61 1.20 0.00 0.00 173.24 176.61 2k5h n GLY 71 N 1.75 3.60 3.20 9.45 0.00 -1.26 -3.32 105.19 118.61 2k5h n GLY 71 Ca -0.20 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 2k5h n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5h s THR 72 N -1.75 0.13 -0.47 2.61 2.01 -1.26 -4.85 115.64 112.05 2k5h s THR 72 Ca 0.25 -1.56 -0.21 0.00 0.31 0.00 0.00 61.69 60.48 2k5h s THR 72 Cb 0.20 -1.70 0.03 0.00 0.01 0.00 0.00 72.50 71.04 2k5h s THR 72 CO 0.01 -0.57 0.70 0.54 -0.69 0.00 0.00 174.62 174.60 2k5h s VAL 73 N -3.95 4.76 -0.23 3.82 0.11 -1.26 -3.86 120.40 119.79 2k5h s VAL 73 Ca 0.14 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.18 2k5h s VAL 73 Cb 0.06 -4.28 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 2k5h s VAL 73 CO -0.04 -0.72 0.04 -0.76 -3.33 0.00 0.00 175.10 170.28 2k5h s LEU 74 N 2.99 3.36 0.67 2.54 1.43 0.51 -4.99 118.68 125.20 2k5h s LEU 74 Ca 0.23 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 2k5h s LEU 74 Cb -0.15 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2k5h s LEU 74 CO 0.18 0.01 1.02 -1.81 0.23 0.00 0.00 176.35 175.99 2k5h s ASP 75 N 1.31 5.34 0.15 2.29 1.11 -1.26 -1.30 116.67 124.31 2k5h s ASP 75 Ca 0.04 0.87 -0.30 0.00 0.18 0.00 0.00 52.55 53.35 2k5h s ASP 75 Cb -0.15 -1.70 -0.07 0.00 1.07 0.00 0.00 42.92 42.07 2k5h s ASP 75 CO 0.02 -1.32 1.18 -0.69 1.18 0.00 0.00 175.17 175.54 2k5h s VAL 76 N -3.23 3.76 0.00 -1.27 1.01 -1.26 -2.93 120.40 116.47 2k5h s VAL 76 Ca 0.57 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.97 2k5h s VAL 76 Cb -0.11 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2k5h s VAL 76 CO 0.48 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2k5h n GLY 77 N 2.46 1.20 3.69 4.51 0.00 0.40 -5.00 105.19 112.45 2k5h n GLY 77 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2k5h n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 78 N -0.72 0.33 -0.13 1.61 0.41 -1.15 -4.66 118.70 114.38 2k5h s GLU 78 Ca 0.00 0.40 0.01 0.00 -0.41 0.00 0.00 54.97 54.96 2k5h s GLU 78 Cb 0.00 -1.74 -0.01 0.00 -1.78 0.00 0.00 34.13 30.61 2k5h s GLU 78 CO 0.00 -2.77 -0.16 -1.21 -0.49 0.00 0.00 175.26 170.62 2k5h s GLU 79 N -5.06 3.26 0.12 1.61 2.02 -1.26 -0.74 118.70 118.64 2k5h s GLU 79 Ca 0.66 -0.75 0.10 0.00 0.02 0.00 0.00 54.97 55.00 2k5h s GLU 79 Cb -0.17 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 2k5h s GLU 79 CO 0.57 0.15 -0.25 0.14 0.02 0.00 0.00 175.26 175.88 2k5h s VAL 80 N 0.48 2.10 -0.24 2.63 -7.23 0.94 -1.56 120.40 117.53 2k5h s VAL 80 Ca -0.11 -1.68 -0.15 0.00 -1.81 0.00 0.00 61.98 58.23 2k5h s VAL 80 Cb -0.16 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2k5h s VAL 80 CO 0.05 0.07 0.35 -0.44 -0.31 0.00 0.00 175.10 174.81 2k5h s SER 81 N -1.97 6.30 -0.38 4.85 0.01 0.16 0.33 113.70 123.00 2k5h s SER 81 Ca 0.12 0.35 -0.26 0.00 1.31 0.00 0.00 55.95 57.47 2k5h s SER 81 Cb -0.10 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.95 2k5h s SER 81 CO 0.05 -0.10 0.95 -0.69 0.41 0.00 0.00 173.24 173.86 2k5h s VAL 82 N 1.58 4.54 -0.22 3.43 1.01 -0.55 -1.84 120.40 128.35 2k5h s VAL 82 Ca 0.15 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.35 2k5h s VAL 82 Cb -0.15 -4.37 -0.17 0.00 0.00 0.00 0.00 36.38 31.69 2k5h s VAL 82 CO 0.08 -0.60 -0.14 0.29 0.00 0.00 0.00 175.10 174.73 2k5h n LYS 83 N 6.89 0.69 -3.76 2.72 5.02 -0.40 -0.51 118.16 128.82 2k5h n LYS 83 Ca 0.07 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.37 2k5h n LYS 83 Cb 0.48 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.98 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5h s ALA 84 N -2.46 -0.74 -0.13 7.82 0.00 -1.14 -4.70 121.76 120.40 2k5h s ALA 84 Ca -0.26 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 2k5h s ALA 84 Cb 0.07 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 2k5h s ALA 84 CO 0.59 -0.73 0.00 0.42 0.00 0.00 0.00 175.76 176.04 2k5h s ILE 85 N -3.87 4.28 -0.41 0.00 -1.09 -1.26 0.03 121.20 118.87 2k5h s ILE 85 Ca 0.09 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.29 2k5h s ILE 85 Cb 0.01 -2.85 0.12 0.00 -1.58 0.00 0.00 42.46 38.16 2k5h s ILE 85 CO -0.05 0.54 0.19 -0.70 -1.23 0.00 0.00 174.94 173.69 2k5h s GLU 86 N -0.18 1.28 7.13 2.79 2.12 0.40 -4.89 118.70 127.35 2k5h s GLU 86 Ca 0.05 -1.87 0.00 0.00 0.36 0.00 0.00 54.97 53.51 2k5h s GLU 86 Cb -0.13 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.76 2k5h s GLU 86 CO 0.02 -1.09 0.00 0.41 -0.54 0.00 0.00 175.26 174.06 2k5h n GLY 87 N 3.85 2.87 1.37 -1.50 0.00 -1.26 -0.86 105.19 109.66 2k5h n GLY 87 Ca 0.05 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.33 2k5h n GLY 87 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k5h n VAL 88 N 0.00 1.15 -4.42 1.61 0.24 -1.26 -4.94 118.33 110.72 2k5h n VAL 88 Ca 0.00 -0.99 -0.24 0.00 -2.04 0.00 0.00 64.34 61.06 2k5h n VAL 88 Cb 0.00 0.38 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k5h s LYS 89 N -1.25 1.52 -0.04 7.34 1.02 -0.04 -4.41 119.74 123.88 2k5h s LYS 89 Ca 0.48 -1.59 -0.02 0.00 0.02 0.00 0.00 55.97 54.86 2k5h s LYS 89 Cb 0.26 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 2k5h s LYS 89 CO 0.30 0.34 0.06 -0.51 -0.92 0.00 0.00 175.35 174.62 2k5h s LEU 90 N -3.01 3.86 -0.50 3.17 1.43 0.85 -0.45 118.68 124.03 2k5h s LEU 90 Ca 0.23 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 2k5h s LEU 90 Cb -0.06 -2.10 0.07 0.00 0.03 0.00 0.00 46.19 44.13 2k5h s LEU 90 CO 0.11 0.32 0.54 -0.69 0.23 0.00 0.00 176.35 176.86 2k5h s VAL 91 N -1.07 5.01 0.15 -1.59 1.01 0.10 -0.33 120.40 123.69 2k5h s VAL 91 Ca 0.19 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2k5h s VAL 91 Cb -0.12 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2k5h s VAL 91 CO 0.09 -0.74 -0.18 0.68 0.00 0.00 0.00 175.10 174.95 2k5h s VAL 92 N 2.24 1.76 0.19 2.92 -7.23 -1.16 -1.27 120.40 117.86 2k5h s VAL 92 Ca 0.10 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 2k5h s VAL 92 Cb -0.22 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2k5h s VAL 92 CO 0.09 -0.27 0.03 -1.61 -0.31 0.00 0.00 175.10 173.03 2k5h s GLU 93 N -2.62 1.19 0.48 4.82 2.02 -0.77 -4.42 118.70 119.39 2k5h s GLU 93 Ca 0.13 -1.59 -0.22 0.00 0.02 0.00 0.00 54.97 53.31 2k5h s GLU 93 Cb -0.06 -0.25 -0.07 0.00 0.10 0.00 0.00 34.13 33.85 2k5h s GLU 93 CO 0.06 -0.18 1.16 0.21 0.02 0.00 0.00 175.26 176.53 2k5h s LYS 94 N -3.95 3.68 1.17 1.61 2.20 -1.26 0.39 119.74 123.57 2k5h s LYS 94 Ca 0.28 1.75 -0.20 0.00 -0.36 0.00 0.00 55.97 57.44 2k5h s LYS 94 Cb 0.07 -2.33 0.29 0.00 -1.51 0.00 0.00 37.83 34.34 2k5h s LYS 94 CO 0.07 -0.61 0.96 1.28 -0.36 0.00 0.00 175.35 176.68 2k5h n LEU 95 N -0.63 0.00 -2.72 5.43 7.99 -0.60 -4.59 117.00 121.88 2k5h n LEU 95 Ca 0.08 -1.01 -0.07 0.00 -0.01 0.00 0.00 56.01 55.00 2k5h n LEU 95 Cb 0.48 -0.92 0.03 0.00 -0.11 0.00 0.00 43.42 42.91 2k5h n LEU 95 CO 0.47 -2.20 0.11 1.21 -1.51 0.00 0.00 177.39 175.47 2k5h n GLU 96 N -4.74 -1.39 -2.52 3.23 2.13 -1.26 -4.92 120.64 111.18 2k5h n GLU 96 Ca 0.14 0.85 -0.40 0.00 0.66 0.00 0.00 57.16 58.40 2k5h n GLU 96 Cb 0.54 -4.63 -0.03 0.00 0.27 0.00 0.00 31.44 27.58 2k5h n GLU 96 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2k5h s GLU 97 N -3.64 3.36 0.07 5.31 -1.05 -1.26 -4.97 118.70 116.51 2k5h s GLU 97 Ca 0.21 -0.68 -0.31 0.00 -0.15 0.00 0.00 54.97 54.05 2k5h s GLU 97 Cb -0.03 -4.84 -0.06 0.00 -0.44 0.00 0.00 34.13 28.76 2k5h s GLU 97 CO 0.54 -2.25 1.24 -1.14 0.95 0.00 0.00 175.26 174.60 2k5h s GLN 98 N 5.43 4.41 -0.97 -4.83 0.74 -1.26 -3.81 119.66 119.36 2k5h s GLN 98 Ca 0.43 1.83 -0.07 0.00 0.05 0.00 0.00 55.36 57.60 2k5h s GLN 98 Cb -0.04 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 2k5h s GLN 98 CO 0.01 -0.30 0.82 1.63 -0.55 0.00 0.00 175.29 176.90 2k5h n LYS 99 N 3.96 -1.74 -2.41 1.67 5.02 -1.26 -4.87 118.16 118.53 2k5h n LYS 99 Ca 0.10 0.94 -0.40 0.00 -2.02 0.00 0.00 58.31 56.93 2k5h n LYS 99 Cb 0.45 -5.27 -0.01 0.00 -0.02 0.00 0.00 35.03 30.19 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5h n GLY 100 N -1.49 2.43 3.82 0.72 0.00 -1.25 -5.31 105.19 104.12 2k5h n GLY 100 Ca -0.07 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2k5h n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06