#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h s GLY 2 N 0.00 1.89 0.01 -5.12 0.00 -1.26 -4.83 107.32 98.01 2k5h s GLY 2 Ca 0.00 -2.87 -0.16 0.00 0.00 0.00 0.00 44.72 41.69 2k5h s GLY 2 CO 0.00 2.28 0.96 1.76 0.00 0.00 0.00 173.10 178.11 2k5h h SER 3 N 8.31 -0.49 -6.53 1.64 0.02 -2.14 -3.48 113.55 110.88 2k5h h SER 3 Ca 0.26 0.02 -0.39 0.00 -0.84 0.00 0.00 61.79 60.84 2k5h h SER 3 Cb 0.95 0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.63 2k5h h SER 3 CO 1.27 -0.27 -1.18 -1.54 -1.14 0.00 0.00 176.83 173.97 2k5h n SER 4 N -4.02 -5.53 -4.58 3.07 3.41 -1.26 -4.79 113.62 99.92 2k5h n SER 4 Ca -0.07 -0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 57.91 2k5h n SER 4 Cb 0.23 -1.78 -0.00 0.00 -0.26 0.00 0.00 64.21 62.40 2k5h n SER 4 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2k5h s HIS 5 N -1.63 2.78 -0.35 7.33 0.09 -1.26 -4.94 115.29 117.31 2k5h s HIS 5 Ca 0.35 -1.59 -0.29 0.00 -0.00 0.00 0.00 55.06 53.54 2k5h s HIS 5 Cb -0.04 -4.75 -0.01 0.00 -0.00 0.00 0.00 32.58 27.79 2k5h s HIS 5 CO 0.88 -1.81 1.62 -1.01 -0.00 0.00 0.00 174.74 174.41 2k5h s HIS 6 N 4.22 2.09 -0.03 1.40 3.76 -1.26 -4.99 115.29 120.48 2k5h s HIS 6 Ca 0.53 0.64 -0.13 0.00 -0.15 0.00 0.00 55.06 55.95 2k5h s HIS 6 Cb 0.04 -4.19 -0.05 0.00 1.11 0.00 0.00 32.58 29.49 2k5h s HIS 6 CO 0.07 -2.55 0.35 -1.01 -0.85 0.00 0.00 174.74 170.75 2k5h s HIS 7 N 6.08 3.69 -0.23 1.40 0.09 -1.26 -5.07 115.29 119.98 2k5h s HIS 7 Ca 0.71 0.88 -0.04 0.00 -0.00 0.00 0.00 55.06 56.61 2k5h s HIS 7 Cb -0.19 -2.22 -0.00 0.00 -0.00 0.00 0.00 32.58 30.17 2k5h s HIS 7 CO 0.33 0.64 -0.03 -1.58 -0.00 0.00 0.00 174.74 174.10 2k5h s HIS 8 N -0.99 3.00 -0.32 1.40 5.04 -1.26 -5.06 115.29 117.10 2k5h s HIS 8 Ca 0.22 -1.02 -0.28 0.00 -1.54 0.00 0.00 55.06 52.44 2k5h s HIS 8 Cb -0.16 -2.12 -0.03 0.00 0.04 0.00 0.00 32.58 30.31 2k5h s HIS 8 CO 0.11 -0.57 1.99 -3.38 -2.34 0.00 0.00 174.74 170.55 2k5h s HIS 9 N 1.46 1.52 -1.26 3.88 0.00 -1.26 -4.88 115.29 114.75 2k5h s HIS 9 Ca 0.05 0.68 -0.12 0.00 -3.00 0.00 0.00 55.06 52.66 2k5h s HIS 9 Cb -0.15 -4.01 0.16 0.00 -4.00 0.00 0.00 32.58 24.58 2k5h s HIS 9 CO -0.03 -3.27 1.68 1.58 -1.00 0.00 0.00 174.74 173.70 2k5h n HIS 10 N 11.36 3.98 -3.52 0.38 -0.00 -1.26 -4.94 115.22 121.22 2k5h n HIS 10 Ca 0.26 -3.06 -0.41 0.00 -0.00 0.00 0.00 57.72 54.51 2k5h n HIS 10 Cb 0.47 -2.11 -0.10 0.00 -0.00 0.00 0.00 29.99 28.24 2k5h n HIS 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2k5h s SER 11 N 2.00 6.05 -0.90 0.26 0.01 -1.26 -5.01 113.70 114.84 2k5h s SER 11 Ca 0.42 -0.58 -0.25 0.00 1.31 0.00 0.00 55.95 56.85 2k5h s SER 11 Cb 0.04 -2.14 -0.06 0.00 0.21 0.00 0.00 66.02 64.07 2k5h s SER 11 CO 0.00 -0.30 2.01 -0.44 0.41 0.00 0.00 173.24 174.93 2k5h s SER 12 N 1.70 4.94 0.00 2.44 0.01 -1.26 -4.78 113.70 116.75 2k5h s SER 12 Ca 0.06 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2k5h s SER 12 Cb -0.18 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2k5h s SER 12 CO 0.10 -2.94 0.15 0.61 0.41 0.00 0.00 173.24 171.57 2k5h n GLY 13 N 6.79 -0.50 1.47 3.44 0.00 -1.26 -4.75 105.19 110.38 2k5h n GLY 13 Ca 0.41 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.47 2k5h n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5h n ARG 14 N -1.69 0.58 -2.21 1.61 5.12 -1.26 -5.02 116.66 113.78 2k5h n ARG 14 Ca 0.00 -2.46 -0.31 0.00 -1.93 0.00 0.00 57.85 53.15 2k5h n ARG 14 Cb 0.00 -0.53 -0.04 0.00 -1.16 0.00 0.00 32.46 30.72 2k5h n ARG 14 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2k5h s GLU 15 N -1.10 2.88 -0.08 5.56 2.12 -1.26 -4.88 118.70 121.95 2k5h s GLU 15 Ca 0.35 -0.59 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 2k5h s GLU 15 Cb 0.38 -5.16 0.04 0.00 0.26 0.00 0.00 34.13 29.64 2k5h s GLU 15 CO -0.13 -3.03 0.06 1.21 -0.54 0.00 0.00 175.26 172.83 2k5h s ASN 16 N 7.02 1.50 -0.25 -1.70 2.47 -1.26 -5.05 114.94 117.66 2k5h s ASN 16 Ca 0.63 -0.11 -0.03 0.00 0.42 0.00 0.00 52.86 53.76 2k5h s ASN 16 Cb -0.04 -0.21 0.01 0.00 -1.45 0.00 0.00 41.25 39.56 2k5h s ASN 16 CO -0.03 -0.27 -0.03 -0.76 -3.72 0.00 0.00 177.10 172.29 2k5h s LEU 17 N 2.13 3.21 -0.38 3.21 1.43 -1.26 -5.06 118.68 121.95 2k5h s LEU 17 Ca 0.04 -0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 52.16 2k5h s LEU 17 Cb -0.13 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2k5h s LEU 17 CO -0.05 -0.11 1.65 -0.47 0.23 0.00 0.00 176.35 177.61 2k5h s TYR 18 N 1.40 2.03 -0.55 0.29 5.04 -1.26 -4.95 117.35 119.34 2k5h s TYR 18 Ca 0.02 0.64 -0.20 0.00 -2.44 0.00 0.00 57.07 55.10 2k5h s TYR 18 Cb -0.16 -4.20 0.07 0.00 0.35 0.00 0.00 41.96 38.02 2k5h s TYR 18 CO -0.03 -2.53 0.72 0.12 -1.34 0.00 0.00 175.55 172.48 2k5h s PHE 19 N 6.45 2.97 -0.41 4.97 5.36 -1.26 -5.01 117.98 131.05 2k5h s PHE 19 Ca 0.71 -0.63 -0.17 0.00 -0.96 0.00 0.00 56.93 55.89 2k5h s PHE 19 Cb -0.18 -3.82 0.02 0.00 -0.34 0.00 0.00 43.02 38.69 2k5h s PHE 19 CO 0.32 -1.21 0.40 -1.14 -1.46 0.00 0.00 175.22 172.13 2k5h s GLN 20 N 2.92 3.13 -0.58 10.12 2.00 -1.26 -5.01 119.66 130.98 2k5h s GLN 20 Ca 0.16 -0.77 -0.26 0.00 -2.00 0.00 0.00 55.36 52.49 2k5h s GLN 20 Cb -0.20 -3.95 -0.08 0.00 0.80 0.00 0.00 33.01 29.58 2k5h s GLN 20 CO 0.10 -0.79 2.38 0.20 -0.50 0.00 0.00 175.29 176.68 2k5h s GLY 21 N 1.77 -0.50 0.27 2.59 0.00 -1.26 -4.94 107.32 105.25 2k5h s GLY 21 Ca 0.11 -0.24 -0.14 0.00 0.00 0.00 0.00 44.72 44.45 2k5h s GLY 21 CO 0.13 4.12 0.66 -2.38 0.00 0.00 0.00 173.10 175.64 2k5h s HIS 22 N 12.69 3.44 0.20 1.90 -3.43 -1.26 -5.03 115.29 123.80 2k5h s HIS 22 Ca 0.94 1.13 -0.31 0.00 -0.80 0.00 0.00 55.06 56.02 2k5h s HIS 22 Cb -0.16 -2.45 -0.10 0.00 -1.43 0.00 0.00 32.58 28.44 2k5h s HIS 22 CO 0.21 0.20 1.50 1.41 -2.00 0.00 0.00 174.74 176.07 2k5h s MET 23 N -2.71 4.24 0.66 -0.38 1.75 -1.26 -5.00 119.30 116.60 2k5h s MET 23 Ca 0.49 2.32 -0.10 0.00 -1.25 0.00 0.00 55.69 57.15 2k5h s MET 23 Cb -0.12 -3.14 0.00 0.00 2.84 0.00 0.00 34.83 34.42 2k5h s MET 23 CO 0.19 -0.52 1.04 0.00 -0.65 0.00 0.00 175.02 175.07 2k5h s ALA 24 N 0.66 3.03 -0.06 4.11 0.00 -1.26 -5.03 121.76 123.21 2k5h s ALA 24 Ca 0.65 -0.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 2k5h s ALA 24 Cb -0.43 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2k5h s ALA 24 CO 0.36 -0.98 0.84 0.00 0.00 0.00 0.00 175.76 175.98 2k5h s ALA 25 N -3.24 3.30 -0.28 0.00 0.00 -1.26 -5.03 121.76 115.25 2k5h s ALA 25 Ca 0.56 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.63 2k5h s ALA 25 Cb -0.11 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2k5h s ALA 25 CO 0.50 -0.25 0.54 0.50 0.00 0.00 0.00 175.76 177.05 2k5h s ARG 26 N 1.13 4.00 -0.12 0.00 6.06 -1.26 -4.59 118.95 124.17 2k5h s ARG 26 Ca 0.44 0.28 -0.11 0.00 -2.50 0.00 0.00 55.73 53.84 2k5h s ARG 26 Cb -0.19 -3.68 -0.04 0.00 0.06 0.00 0.00 34.95 31.11 2k5h s ARG 26 CO 0.21 -0.42 -0.22 -0.89 -2.50 0.00 0.00 175.30 171.48 2k5h n ILE 27 N 5.22 0.99 -0.64 4.11 -0.00 -1.26 -5.12 119.36 122.66 2k5h n ILE 27 Ca -0.04 0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.98 2k5h n ILE 27 Cb 0.49 -2.06 0.00 0.00 -0.00 0.00 0.00 39.64 38.07 2k5h n ILE 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 2k5h n THR 28 N -3.80 -2.66 -3.97 1.39 -1.04 -1.26 -5.08 114.28 97.87 2k5h n THR 28 Ca -0.09 0.92 -0.26 0.00 -2.04 0.00 0.00 64.05 62.58 2k5h n THR 28 Cb 0.33 -1.77 -0.02 0.00 -1.82 0.00 0.00 70.33 67.05 2k5h n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k5h s GLY 29 N -1.52 2.41 0.56 3.41 0.00 -0.94 -5.02 107.32 106.23 2k5h s GLY 29 Ca 0.00 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.25 2k5h s GLY 29 CO 0.00 -1.94 1.05 -0.54 0.00 0.00 0.00 173.10 171.67 2k5h s GLU 30 N -4.20 3.46 0.00 2.90 2.02 -1.26 -4.67 118.70 116.96 2k5h s GLU 30 Ca 0.33 1.24 0.09 0.00 0.02 0.00 0.00 54.97 56.65 2k5h s GLU 30 Cb -0.01 -2.05 0.49 0.00 0.10 0.00 0.00 34.13 32.65 2k5h s GLU 30 CO 0.20 -0.70 1.13 -2.30 0.02 0.00 0.00 175.26 173.61 2k5h n PRO 31 N -1.74 0.17 -1.18 0.39 -0.02 -1.26 -4.00 135.00 127.37 2k5h n PRO 31 Ca 0.09 0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 61.40 2k5h n PRO 31 Cb 0.53 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.62 2k5h n PRO 31 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k5h s SER 32 N -2.42 4.07 0.06 2.55 0.15 -1.26 -4.93 113.70 111.92 2k5h s SER 32 Ca 0.10 2.02 0.26 0.00 0.70 0.00 0.00 55.95 59.03 2k5h s SER 32 Cb 0.06 -2.55 1.03 0.00 -1.71 0.00 0.00 66.02 62.85 2k5h s SER 32 CO 0.13 -2.33 1.81 2.29 1.20 0.00 0.00 173.24 176.33 2k5h n LYS 33 N -3.49 0.07 -0.38 5.44 2.85 -1.26 -2.20 118.16 119.18 2k5h n LYS 33 Ca 0.11 0.12 0.10 0.00 -1.05 0.00 0.00 58.31 57.58 2k5h n LYS 33 Cb 0.52 -1.59 0.29 0.00 -0.65 0.00 0.00 35.03 33.60 2k5h n LYS 33 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2k5h n LYS 34 N -1.72 3.00 -4.33 -1.58 4.81 -1.26 -4.94 118.16 112.15 2k5h n LYS 34 Ca 0.06 -2.58 -0.18 0.00 -0.87 0.00 0.00 58.31 54.74 2k5h n LYS 34 Cb 0.32 -1.58 -0.10 0.00 0.02 0.00 0.00 35.03 33.69 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5h s ALA 35 N -1.26 1.92 -0.44 3.14 0.00 -0.94 -5.06 121.76 119.12 2k5h s ALA 35 Ca 0.43 -1.63 -0.27 0.00 0.00 0.00 0.00 51.96 50.50 2k5h s ALA 35 Cb 0.24 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2k5h s ALA 35 CO 0.26 0.04 0.99 0.54 0.00 0.00 0.00 175.76 177.59 2k5h s VAL 36 N -3.01 4.43 -0.00 0.00 0.11 -1.26 -4.72 120.40 115.95 2k5h s VAL 36 Ca 0.21 1.01 -0.28 0.00 -2.93 0.00 0.00 61.98 59.99 2k5h s VAL 36 Cb -0.00 -4.46 -0.04 0.00 -1.53 0.00 0.00 36.38 30.35 2k5h s VAL 36 CO 0.06 -0.81 0.90 -0.44 -3.33 0.00 0.00 175.10 171.48 2k5h s SER 37 N 2.21 7.28 -0.06 3.54 0.01 -1.26 -2.21 113.70 123.22 2k5h s SER 37 Ca 0.40 1.55 0.03 0.00 1.31 0.00 0.00 55.95 59.24 2k5h s SER 37 Cb -0.10 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 63.79 2k5h s SER 37 CO 0.26 -0.19 0.82 -0.90 0.41 0.00 0.00 173.24 173.64 2k5h n ASP 38 N 3.68 2.16 0.00 2.44 5.75 -1.26 -3.58 116.55 125.73 2k5h n ASP 38 Ca 0.03 -2.22 0.15 0.00 -0.01 0.00 0.00 54.79 52.74 2k5h n ASP 38 Cb 0.51 -0.55 0.88 0.00 -1.03 0.00 0.00 41.12 40.94 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k5h n ARG 39 N 0.14 0.96 0.16 0.11 1.74 -1.26 -2.73 116.66 115.78 2k5h n ARG 39 Ca 0.07 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 2k5h n ARG 39 Cb 0.49 -1.48 0.09 0.00 -1.02 0.00 0.00 32.46 30.53 2k5h n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2k5h h LEU 40 N 0.00 0.00 -9.41 0.55 3.38 -1.98 -3.45 115.31 104.41 2k5h h LEU 40 Ca 0.00 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2k5h h LEU 40 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 2k5h h LEU 40 CO 0.00 0.00 1.15 -0.63 0.09 0.00 0.00 178.44 179.05 2k5h s ILE 41 N -3.28 2.93 0.00 1.22 -1.09 -1.10 -1.78 121.20 118.09 2k5h s ILE 41 Ca 0.03 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2k5h s ILE 41 Cb 0.07 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 2k5h s ILE 41 CO 0.73 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 2k5h n GLY 42 N 4.32 0.81 3.98 6.18 0.00 -0.60 -4.99 105.19 114.89 2k5h n GLY 42 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.81 2.89 0.12 1.61 0.52 -0.73 -4.83 118.95 117.71 2k5h s ARG 43 Ca 0.00 -1.20 0.03 0.00 -0.52 0.00 0.00 55.73 54.04 2k5h s ARG 43 Cb 0.00 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 2k5h s ARG 43 CO 0.00 -0.13 0.20 0.21 0.02 0.00 0.00 175.30 175.60 2k5h s LYS 44 N -4.24 3.21 0.26 3.54 2.20 -1.26 -1.57 119.74 121.87 2k5h s LYS 44 Ca 0.50 -0.64 -0.07 0.00 -0.36 0.00 0.00 55.97 55.40 2k5h s LYS 44 Cb -0.09 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2k5h s LYS 44 CO 0.31 0.54 0.38 0.20 -0.36 0.00 0.00 175.35 176.42 2k5h s GLY 45 N -2.89 1.06 0.03 5.54 0.00 0.24 -4.50 107.32 106.79 2k5h s GLY 45 Ca 0.33 -1.29 0.07 0.00 0.00 0.00 0.00 44.72 43.83 2k5h s GLY 45 CO 0.26 -0.95 -0.20 0.54 0.00 0.00 0.00 173.10 172.75 2k5h s VAL 46 N -3.81 2.60 -0.50 1.40 0.11 -0.94 0.06 120.40 119.31 2k5h s VAL 46 Ca 0.29 -1.18 -0.26 0.00 -2.93 0.00 0.00 61.98 57.90 2k5h s VAL 46 Cb 0.02 -2.05 0.03 0.00 -1.53 0.00 0.00 36.38 32.84 2k5h s VAL 46 CO 0.13 0.39 1.00 -0.69 -3.33 0.00 0.00 175.10 172.60 2k5h s VAL 47 N -0.85 4.35 -0.12 2.04 1.01 -0.12 -1.60 120.40 125.11 2k5h s VAL 47 Ca 0.13 0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.86 2k5h s VAL 47 Cb -0.10 -4.53 -0.24 0.00 0.00 0.00 0.00 36.38 31.51 2k5h s VAL 47 CO 0.03 -1.00 0.38 0.23 0.00 0.00 0.00 175.10 174.74 2k5h n MET 48 N 7.52 0.70 -5.09 2.72 2.81 0.36 -1.54 117.12 124.60 2k5h n MET 48 Ca 0.06 0.24 -0.29 0.00 -1.81 0.00 0.00 57.70 55.90 2k5h n MET 48 Cb 0.48 -1.70 -0.16 0.00 -0.71 0.00 0.00 33.22 31.13 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 -2.56 2.03 0.27 0.03 2.56 -0.19 -4.85 118.70 115.99 2k5h s GLU 49 Ca -0.16 -0.78 -0.30 0.00 0.00 0.00 0.00 54.97 53.72 2k5h s GLU 49 Cb 0.07 -1.83 -0.11 0.00 2.00 0.00 0.00 34.13 34.27 2k5h s GLU 49 CO 0.78 0.39 1.54 0.00 -0.56 0.00 0.00 175.26 177.41 2k5h s ALA 50 N -0.27 3.71 -0.26 6.30 0.00 -1.26 -2.34 121.76 127.64 2k5h s ALA 50 Ca 0.02 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 53.35 2k5h s ALA 50 Cb -0.11 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2k5h s ALA 50 CO 0.01 -0.89 0.17 0.42 0.00 0.00 0.00 175.76 175.47 2k5h s ILE 51 N 0.08 5.24 0.22 0.00 1.01 0.46 -3.87 121.20 124.33 2k5h s ILE 51 Ca 0.62 0.14 0.10 0.00 0.00 0.00 0.00 60.65 61.52 2k5h s ILE 51 Cb -0.46 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2k5h s ILE 51 CO 0.45 0.29 -0.19 -0.94 0.00 0.00 0.00 174.94 174.56 2k5h s SER 52 N 1.48 3.10 0.40 3.58 1.04 0.02 -1.87 113.70 121.46 2k5h s SER 52 Ca 0.07 -0.97 0.13 0.00 0.48 0.00 0.00 55.95 55.66 2k5h s SER 52 Cb -0.15 -0.22 0.96 0.00 0.10 0.00 0.00 66.02 66.71 2k5h s SER 52 CO 0.08 -0.02 1.91 -0.65 0.98 0.00 0.00 173.24 175.54 2k5h h PRO 53 N 2.69 0.51 0.19 4.02 0.11 -1.87 -2.78 132.00 134.87 2k5h h PRO 53 Ca -0.41 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.32 2k5h h PRO 53 Cb 1.23 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.24 2k5h h PRO 53 CO 0.57 0.34 -1.74 0.37 -0.21 0.00 0.00 178.00 177.32 2k5h h GLN 54 N 0.52 0.41 -4.11 1.05 4.15 -1.97 -3.46 115.11 111.69 2k5h h GLN 54 Ca 0.38 -0.69 -0.45 0.00 0.77 0.00 0.00 58.65 58.66 2k5h h GLN 54 Cb 0.74 0.26 -0.35 0.00 0.21 0.00 0.00 27.48 28.34 2k5h h GLN 54 CO -0.14 1.33 -0.78 1.21 -1.93 0.00 0.00 178.83 178.52 2k5h s ASN 55 N -7.31 1.33 0.71 -0.69 3.84 -1.05 -5.13 114.94 106.64 2k5h s ASN 55 Ca -0.16 -0.18 -0.13 0.00 0.21 0.00 0.00 52.86 52.61 2k5h s ASN 55 Cb 0.05 -0.57 0.03 0.00 -0.55 0.00 0.00 41.25 40.21 2k5h s ASN 55 CO 0.86 -0.06 1.11 -0.44 -2.79 0.00 0.00 177.10 175.78 2k5h s SER 56 N 1.08 4.76 0.00 -4.21 0.01 -1.26 -0.80 113.70 113.29 2k5h s SER 56 Ca -0.08 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.15 2k5h s SER 56 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2k5h s SER 56 CO -0.01 -1.87 0.00 0.61 0.41 0.00 0.00 173.24 172.39 2k5h n GLY 57 N -0.66 3.54 3.04 3.44 0.00 -0.12 -4.76 105.19 109.66 2k5h n GLY 57 Ca 0.10 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 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 1.66 0.05 0.99 1.43 -0.99 -0.59 118.68 121.23 2k5h s LEU 58 Ca 0.00 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2k5h s LEU 58 Cb 0.00 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 2k5h s LEU 58 CO 0.00 0.03 -0.19 0.68 0.23 0.00 0.00 176.35 177.10 2k5h s VAL 59 N 0.78 1.50 -0.24 -1.59 -7.23 -0.24 -0.48 120.40 112.89 2k5h s VAL 59 Ca -0.12 -1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 58.74 2k5h s VAL 59 Cb -0.16 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 2k5h s VAL 59 CO 0.02 0.09 0.14 -0.75 -0.31 0.00 0.00 175.10 174.29 2k5h s LYS 60 N -1.31 3.99 -0.13 4.82 2.36 -0.63 -0.33 119.74 128.51 2k5h s LYS 60 Ca 0.05 -0.31 -0.01 0.00 -2.55 0.00 0.00 55.97 53.15 2k5h s LYS 60 Cb -0.09 -3.50 0.03 0.00 -1.05 0.00 0.00 37.83 33.23 2k5h s LYS 60 CO 0.02 0.01 -0.04 0.08 1.55 0.00 0.00 175.35 176.97 2k5h s VAL 61 N 1.17 0.87 0.00 4.02 1.01 0.11 -2.22 120.40 125.36 2k5h s VAL 61 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2k5h s VAL 61 Cb -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2k5h s VAL 61 CO 0.05 0.21 0.00 -0.67 0.00 0.00 0.00 175.10 174.70 2k5h n ASP 62 N 4.97 0.00 0.00 3.32 2.03 -1.26 -2.58 116.55 123.04 2k5h n ASP 62 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2k5h n ASP 62 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.00 0.18 3.92 0.27 0.00 -1.26 -5.15 105.19 103.15 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 0.00 3.35 -0.26 1.61 0.41 -1.06 -5.07 118.70 117.68 2k5h s GLU 64 Ca 0.00 -0.66 -0.09 0.00 -0.41 0.00 0.00 54.97 53.82 2k5h s GLU 64 Cb 0.00 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.41 2k5h s GLU 64 CO 0.00 0.51 0.11 0.99 -0.49 0.00 0.00 175.26 176.38 2k5h s THR 65 N -1.77 4.66 0.31 3.63 2.01 -1.26 -0.71 115.64 122.51 2k5h s THR 65 Ca 0.34 -0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.37 2k5h s THR 65 Cb -0.11 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 2k5h s THR 65 CO 0.28 0.30 -0.05 0.26 -0.69 0.00 0.00 174.62 174.71 2k5h s TRP 66 N 1.66 2.51 0.08 4.92 0.52 0.56 -4.91 118.94 124.28 2k5h s TRP 66 Ca 0.06 -0.37 -0.29 0.00 0.02 0.00 0.00 56.10 55.52 2k5h s TRP 66 Cb -0.15 -1.30 -0.05 0.00 -1.15 0.00 0.00 33.47 30.81 2k5h s TRP 66 CO 0.06 0.57 0.93 1.03 0.02 0.00 0.00 176.95 179.57 2k5h s ARG 67 N -3.65 4.65 -0.00 4.98 3.00 -1.26 -1.08 118.95 125.58 2k5h s ARG 67 Ca 0.33 1.38 0.05 0.00 0.00 0.00 0.00 55.73 57.50 2k5h s ARG 67 Cb -0.02 -3.39 -0.02 0.00 0.00 0.00 0.00 34.95 31.52 2k5h s ARG 67 CO 0.18 0.18 -0.17 0.00 0.00 0.00 0.00 175.30 175.50 2k5h s ALA 68 N 0.15 1.40 0.12 2.13 0.00 0.24 -0.17 121.76 125.64 2k5h s ALA 68 Ca 0.46 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2k5h s ALA 68 Cb -0.22 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2k5h s ALA 68 CO 0.28 0.33 -0.05 0.99 0.00 0.00 0.00 175.76 177.32 2k5h s THR 69 N -0.49 0.72 0.11 0.00 2.01 0.11 -0.95 115.64 117.15 2k5h s THR 69 Ca 0.06 -1.96 -0.09 0.00 0.31 0.00 0.00 61.69 60.01 2k5h s THR 69 Cb -0.07 -1.83 0.03 0.00 0.01 0.00 0.00 72.50 70.65 2k5h s THR 69 CO -0.00 -0.74 0.45 -1.54 -0.69 0.00 0.00 174.62 172.09 2k5h n SER 70 N -0.11 -0.86 -0.90 3.53 3.41 -1.26 -2.12 113.62 115.31 2k5h n SER 70 Ca -0.10 -1.50 0.12 0.00 -0.26 0.00 0.00 58.87 57.13 2k5h n SER 70 Cb 0.61 1.41 0.24 0.00 -0.26 0.00 0.00 64.21 66.22 2k5h n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k5h n GLY 71 N -0.31 0.99 3.72 5.00 0.00 -1.26 -4.81 105.19 108.52 2k5h n GLY 71 Ca -0.02 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.81 2.58 -0.51 2.61 2.01 -1.26 -5.00 115.64 114.25 2k5h s THR 72 Ca 0.34 -1.74 -0.16 0.00 0.31 0.00 0.00 61.69 60.43 2k5h s THR 72 Cb 0.21 -2.96 0.10 0.00 0.01 0.00 0.00 72.50 69.86 2k5h s THR 72 CO 0.31 -0.09 0.48 -0.69 -0.69 0.00 0.00 174.62 173.94 2k5h s VAL 73 N -2.53 5.16 -0.19 3.82 1.01 -1.26 -4.63 120.40 121.78 2k5h s VAL 73 Ca 0.39 -1.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 2k5h s VAL 73 Cb 0.01 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2k5h s VAL 73 CO 0.22 -0.77 0.14 -0.76 0.00 0.00 0.00 175.10 173.93 2k5h s LEU 74 N 1.80 4.22 0.46 3.92 1.43 -0.78 -4.97 118.68 124.77 2k5h s LEU 74 Ca 0.05 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 2k5h s LEU 74 Cb -0.26 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2k5h s LEU 74 CO 0.06 0.20 0.50 -0.62 0.23 0.00 0.00 176.35 176.71 2k5h s ASP 75 N 0.26 5.16 -0.16 2.29 -1.08 -1.26 -0.41 116.67 121.47 2k5h s ASP 75 Ca 0.09 -0.74 -0.29 0.00 -0.52 0.00 0.00 52.55 51.08 2k5h s ASP 75 Cb -0.11 -0.33 -0.01 0.00 -1.46 0.00 0.00 42.92 41.01 2k5h s ASP 75 CO -0.01 -0.85 1.16 -0.69 0.52 0.00 0.00 175.17 175.30 2k5h s VAL 76 N -2.51 4.45 0.00 1.11 1.01 -1.26 -3.24 120.40 119.96 2k5h s VAL 76 Ca 0.50 1.75 0.00 0.00 0.00 0.00 0.00 61.98 64.23 2k5h s VAL 76 Cb -0.05 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2k5h s VAL 76 CO 0.30 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2k5h n GLY 77 N 3.42 1.98 3.85 4.51 0.00 -0.59 -5.04 105.19 113.34 2k5h n GLY 77 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.40 -0.10 1.61 0.41 -1.20 -4.79 118.70 117.02 2k5h s GLU 78 Ca 0.00 0.46 0.02 0.00 -0.41 0.00 0.00 54.97 55.04 2k5h s GLU 78 Cb 0.00 -1.97 -0.02 0.00 -1.78 0.00 0.00 34.13 30.37 2k5h s GLU 78 CO 0.00 -1.36 -0.15 -1.21 -0.49 0.00 0.00 175.26 172.04 2k5h s GLU 79 N -5.32 3.09 0.19 1.61 2.02 -1.26 -0.95 118.70 118.08 2k5h s GLU 79 Ca 0.60 -0.72 0.08 0.00 0.02 0.00 0.00 54.97 54.94 2k5h s GLU 79 Cb -0.12 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 2k5h s GLU 79 CO 0.52 0.32 -0.15 0.14 0.02 0.00 0.00 175.26 176.11 2k5h s VAL 80 N 0.06 1.74 -0.03 2.63 -7.23 0.11 -0.97 120.40 116.70 2k5h s VAL 80 Ca -0.06 -2.10 0.07 0.00 -1.81 0.00 0.00 61.98 58.08 2k5h s VAL 80 Cb -0.15 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 2k5h s VAL 80 CO 0.05 -0.50 -0.24 -0.44 -0.31 0.00 0.00 175.10 173.65 2k5h s SER 81 N -3.08 2.92 -0.08 4.85 0.01 -0.50 0.79 113.70 118.61 2k5h s SER 81 Ca 0.20 -0.46 -0.30 0.00 1.31 0.00 0.00 55.95 56.70 2k5h s SER 81 Cb -0.02 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 2k5h s SER 81 CO 0.07 0.28 1.41 -0.69 0.41 0.00 0.00 173.24 174.71 2k5h s VAL 82 N -0.42 3.91 -0.22 3.43 1.01 -0.61 -1.99 120.40 125.52 2k5h s VAL 82 Ca 0.05 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.12 2k5h s VAL 82 Cb -0.11 -3.76 -0.18 0.00 0.00 0.00 0.00 36.38 32.33 2k5h s VAL 82 CO 0.01 -0.07 -0.03 1.17 0.00 0.00 0.00 175.10 176.18 2k5h n LYS 83 N 6.28 0.65 -3.41 2.72 4.81 0.17 -1.55 118.16 127.83 2k5h n LYS 83 Ca 0.14 0.29 -0.09 0.00 -0.87 0.00 0.00 58.31 57.78 2k5h n LYS 83 Cb 0.44 -1.60 0.01 0.00 0.02 0.00 0.00 35.03 33.90 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5h n ALA 84 N -3.47 -1.19 -3.19 3.14 0.00 -0.74 -4.86 120.51 110.20 2k5h n ALA 84 Ca -0.42 -1.15 -0.24 0.00 0.00 0.00 0.00 53.44 51.63 2k5h n ALA 84 Cb 0.92 0.92 -0.16 0.00 0.00 0.00 0.00 19.45 21.13 2k5h n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 85 N -2.38 1.17 -0.39 0.00 1.01 -1.26 -0.16 121.20 119.19 2k5h s ILE 85 Ca 0.16 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.29 2k5h s ILE 85 Cb -0.03 -1.04 0.12 0.00 0.01 0.00 0.00 42.46 41.52 2k5h s ILE 85 CO 0.12 0.35 0.16 -0.70 0.00 0.00 0.00 174.94 174.88 2k5h s GLU 86 N 0.36 1.17 5.54 2.79 -6.30 0.83 -4.16 118.70 118.92 2k5h s GLU 86 Ca -0.09 -1.72 0.00 0.00 -2.50 0.00 0.00 54.97 50.66 2k5h s GLU 86 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 34.13 31.58 2k5h s GLU 86 CO 0.03 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.65 2k5h n GLY 87 N 4.05 1.56 0.39 -1.50 0.00 -1.26 -1.26 105.19 107.17 2k5h n GLY 87 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2k5h n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k5h n VAL 88 N 0.00 0.44 -4.08 1.61 0.31 -1.26 -4.96 118.33 110.39 2k5h n VAL 88 Ca 0.00 -0.72 -0.28 0.00 -0.01 0.00 0.00 64.34 63.33 2k5h n VAL 88 Cb 0.00 0.88 -0.06 0.00 -0.91 0.00 0.00 33.84 33.75 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k5h s LYS 89 N -0.82 2.86 -0.02 5.55 1.02 -0.39 -4.47 119.74 123.47 2k5h s LYS 89 Ca 0.13 -0.81 -0.02 0.00 0.02 0.00 0.00 55.97 55.29 2k5h s LYS 89 Cb 0.08 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2k5h s LYS 89 CO 0.11 0.52 0.10 -0.51 -0.92 0.00 0.00 175.35 174.65 2k5h s LEU 90 N -2.79 4.02 -0.38 3.17 1.43 0.77 -0.12 118.68 124.77 2k5h s LEU 90 Ca 0.30 0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 2k5h s LEU 90 Cb -0.11 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.83 2k5h s LEU 90 CO 0.22 0.29 0.25 -0.69 0.23 0.00 0.00 176.35 176.65 2k5h s VAL 91 N -1.19 5.01 0.22 -1.59 1.01 0.77 0.04 120.40 124.67 2k5h s VAL 91 Ca 0.23 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.69 2k5h s VAL 91 Cb -0.12 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2k5h s VAL 91 CO 0.13 -0.20 -0.19 0.68 0.00 0.00 0.00 175.10 175.52 2k5h s VAL 92 N 1.64 2.16 0.14 2.92 -7.23 -0.90 0.45 120.40 119.58 2k5h s VAL 92 Ca 0.04 -2.17 0.08 0.00 -1.81 0.00 0.00 61.98 58.13 2k5h s VAL 92 Cb -0.19 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2k5h s VAL 92 CO 0.09 -0.35 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.73 2k5h s GLU 93 N -3.17 1.21 0.08 4.82 2.02 -0.84 -4.58 118.70 118.24 2k5h s GLU 93 Ca 0.23 -1.31 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 2k5h s GLU 93 Cb -0.05 -1.34 -0.05 0.00 0.10 0.00 0.00 34.13 32.78 2k5h s GLU 93 CO 0.10 0.29 1.06 0.21 0.02 0.00 0.00 175.26 176.94 2k5h s LYS 94 N -2.46 4.57 0.43 1.61 2.20 -1.26 -1.41 119.74 123.42 2k5h s LYS 94 Ca 0.12 1.58 -0.24 0.00 -0.36 0.00 0.00 55.97 57.07 2k5h s LYS 94 Cb -0.07 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.80 2k5h s LYS 94 CO 0.06 -0.02 1.23 -1.17 -0.36 0.00 0.00 175.35 175.09 2k5h s LEU 95 N 0.48 4.11 0.51 5.43 1.98 -0.15 -4.90 118.68 126.14 2k5h s LEU 95 Ca 0.52 2.48 0.06 0.00 -2.89 0.00 0.00 54.13 54.30 2k5h s LEU 95 Cb -0.26 -4.07 0.04 0.00 0.66 0.00 0.00 46.19 42.56 2k5h s LEU 95 CO 0.30 -0.90 0.70 -1.83 -1.89 0.00 0.00 176.35 172.73 2k5h s GLU 96 N -2.46 2.56 -0.16 1.98 4.04 -1.26 -4.89 118.70 118.51 2k5h s GLU 96 Ca 0.60 -1.21 0.10 0.00 0.04 0.00 0.00 54.97 54.51 2k5h s GLU 96 Cb -0.34 -2.64 0.58 0.00 0.02 0.00 0.00 34.13 31.76 2k5h s GLU 96 CO 0.42 -0.59 1.40 0.39 -1.84 0.00 0.00 175.26 175.03 2k5h n GLU 97 N -2.12 3.70 -1.84 -4.83 4.71 -1.26 -4.86 120.64 114.13 2k5h n GLU 97 Ca 0.10 -2.24 -0.00 0.00 -0.01 0.00 0.00 57.16 55.01 2k5h n GLU 97 Cb 0.60 -2.01 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 2k5h n GLU 97 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2k5h n GLN 98 N 0.49 -0.29 0.00 3.49 6.02 -1.26 -3.68 117.38 122.15 2k5h n GLN 98 Ca 0.20 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2k5h n GLN 98 Cb 0.90 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.73 2k5h n GLN 98 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2k5h n LYS 99 N -1.18 0.00 -2.72 -1.09 4.81 -1.26 -2.03 118.16 114.68 2k5h n LYS 99 Ca -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 2k5h n LYS 99 Cb 0.50 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.64 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k5h n GLY 100 N 0.00 1.79 0.08 3.14 0.00 -1.26 -5.13 105.19 103.80 2k5h n GLY 100 Ca 0.00 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.62 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76