#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 -0.73 3.57 3.03 0.00 -1.26 -4.91 105.19 104.90 2k5h n GLY 2 Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 2k5h n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5h s SER 3 N -0.40 6.10 -1.29 1.61 0.01 -1.26 -4.91 113.70 113.56 2k5h s SER 3 Ca 0.00 0.29 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 2k5h s SER 3 Cb 0.00 -2.55 0.15 0.00 0.21 0.00 0.00 66.02 63.84 2k5h s SER 3 CO 0.00 -1.73 1.84 -1.20 0.41 0.00 0.00 173.24 172.56 2k5h n SER 4 N 9.68 4.99 -4.53 2.44 7.64 -1.26 -4.94 113.62 127.64 2k5h n SER 4 Ca 0.13 -3.06 -0.34 0.00 1.01 0.00 0.00 58.87 56.61 2k5h n SER 4 Cb 0.49 -1.51 -0.12 0.00 -1.01 0.00 0.00 64.21 62.06 2k5h n SER 4 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2k5h s HIS 5 N 0.91 3.06 -0.27 1.43 0.09 -1.26 -5.08 115.29 114.17 2k5h s HIS 5 Ca 0.41 -0.21 -0.01 0.00 -0.00 0.00 0.00 55.06 55.25 2k5h s HIS 5 Cb 0.08 -1.96 0.14 0.00 -0.00 0.00 0.00 32.58 30.84 2k5h s HIS 5 CO -0.00 0.03 0.38 -3.38 -0.00 0.00 0.00 174.74 171.77 2k5h s HIS 6 N 0.26 -0.87 -0.42 1.40 0.00 -1.26 -5.10 115.29 109.30 2k5h s HIS 6 Ca -0.02 0.55 -0.29 0.00 -3.00 0.00 0.00 55.06 52.30 2k5h s HIS 6 Cb -0.14 -0.09 0.01 0.00 -4.00 0.00 0.00 32.58 28.36 2k5h s HIS 6 CO 0.02 -0.84 1.40 -3.38 -1.00 0.00 0.00 174.74 170.94 2k5h s HIS 7 N 2.53 2.42 -0.22 0.38 0.00 -1.26 -4.98 115.29 114.16 2k5h s HIS 7 Ca 0.11 0.67 0.01 0.00 -3.00 0.00 0.00 55.06 52.85 2k5h s HIS 7 Cb -0.14 -4.33 0.03 0.00 -4.00 0.00 0.00 32.58 24.15 2k5h s HIS 7 CO -0.23 -1.94 -0.14 -1.58 -1.00 0.00 0.00 174.74 169.86 2k5h s HIS 8 N 5.41 3.01 -0.43 0.38 5.65 -1.26 -5.05 115.29 123.01 2k5h s HIS 8 Ca 0.60 -1.86 0.02 0.00 0.25 0.00 0.00 55.06 54.07 2k5h s HIS 8 Cb -0.13 -1.95 0.14 0.00 -1.18 0.00 0.00 32.58 29.46 2k5h s HIS 8 CO 0.32 -0.81 0.26 -1.58 -0.65 0.00 0.00 174.74 172.28 2k5h s HIS 9 N 1.23 1.63 -0.69 3.88 2.46 -1.26 -5.07 115.29 117.47 2k5h s HIS 9 Ca -0.01 -2.25 -0.20 0.00 0.47 0.00 0.00 55.06 53.08 2k5h s HIS 9 Cb -0.16 -1.56 0.10 0.00 -0.13 0.00 0.00 32.58 30.83 2k5h s HIS 9 CO -0.08 -0.79 0.88 -1.58 -2.47 0.00 0.00 174.74 170.70 2k5h s HIS 10 N 0.42 2.94 -0.39 3.88 5.65 -1.26 -5.01 115.29 121.52 2k5h s HIS 10 Ca 0.20 -0.95 -0.13 0.00 0.25 0.00 0.00 55.06 54.43 2k5h s HIS 10 Cb -0.20 -4.15 0.02 0.00 -1.18 0.00 0.00 32.58 27.07 2k5h s HIS 10 CO -0.03 -1.44 0.26 -1.12 -0.65 0.00 0.00 174.74 171.76 2k5h s SER 11 N 3.58 5.97 -0.32 9.88 0.01 -1.26 -5.00 113.70 126.55 2k5h s SER 11 Ca 0.19 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.60 2k5h s SER 11 Cb -0.17 -2.11 0.15 0.00 0.21 0.00 0.00 66.02 64.09 2k5h s SER 11 CO 0.04 -0.40 0.35 -0.94 0.41 0.00 0.00 173.24 172.70 2k5h s SER 12 N 1.64 1.18 0.09 2.44 1.04 -1.26 -4.99 113.70 113.85 2k5h s SER 12 Ca 0.04 -1.01 -0.15 0.00 0.48 0.00 0.00 55.95 55.31 2k5h s SER 12 Cb -0.19 0.66 -0.10 0.00 0.10 0.00 0.00 66.02 66.50 2k5h s SER 12 CO 0.09 -0.33 1.40 1.23 0.98 0.00 0.00 173.24 176.61 2k5h h GLY 13 N 7.75 0.74 0.00 7.32 0.00 -2.04 -3.46 103.07 113.38 2k5h h GLY 13 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2k5h h GLY 13 CO 0.27 0.71 0.00 -2.13 0.00 0.00 0.00 176.54 175.38 2k5h n ARG 14 N -4.26 0.00 -3.51 4.80 0.63 -1.26 -4.00 116.66 109.05 2k5h n ARG 14 Ca -0.04 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.61 2k5h n ARG 14 Cb 0.48 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.28 2k5h n ARG 14 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2k5h s GLU 15 N 0.00 1.08 -0.03 -0.14 2.02 -1.26 -4.86 118.70 115.51 2k5h s GLU 15 Ca 0.00 -2.10 0.04 0.00 0.02 0.00 0.00 54.97 52.92 2k5h s GLU 15 Cb 0.00 -1.76 0.06 0.00 0.10 0.00 0.00 34.13 32.53 2k5h s GLU 15 CO 0.00 -1.31 0.99 0.27 0.02 0.00 0.00 175.26 175.22 2k5h n ASN 16 N 3.05 0.50 -4.53 -0.19 6.94 -1.26 -5.01 115.26 114.77 2k5h n ASN 16 Ca 0.23 -2.13 -0.43 0.00 -0.02 0.00 0.00 54.58 52.23 2k5h n ASN 16 Cb 0.43 -0.22 -0.01 0.00 -2.36 0.00 0.00 39.78 37.61 2k5h n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2k5h s LEU 17 N -0.58 4.21 0.22 -4.53 1.02 -1.26 -4.73 118.68 113.02 2k5h s LEU 17 Ca 0.06 -2.23 0.00 0.00 0.02 0.00 0.00 54.13 51.98 2k5h s LEU 17 Cb 0.05 -2.51 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2k5h s LEU 17 CO 0.01 -1.15 0.00 0.00 0.02 0.00 0.00 176.35 175.22 2k5h n TYR 18 N 7.62 -2.23 0.00 0.29 9.36 -1.26 -5.06 117.16 125.88 2k5h n TYR 18 Ca 0.38 1.17 0.00 0.00 3.32 0.00 0.00 57.90 62.77 2k5h n TYR 18 Cb 0.47 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 2k5h n TYR 18 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2k5h n PHE 19 N -0.42 0.00 -3.42 2.98 7.35 -1.26 -5.09 117.46 117.59 2k5h n PHE 19 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 2k5h n PHE 19 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 2k5h n PHE 19 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2k5h s GLN 20 N -0.91 3.71 0.00 -4.13 -0.21 -1.26 -4.77 119.66 112.09 2k5h s GLN 20 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.08 2k5h s GLN 20 Cb 0.00 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.26 2k5h s GLN 20 CO 0.00 -0.43 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 2k5h n GLY 21 N 4.90 -2.11 3.26 3.09 0.00 -1.26 -5.04 105.19 108.03 2k5h n GLY 21 Ca -0.09 0.81 -0.20 0.00 0.00 0.00 0.00 46.02 46.53 2k5h n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k5h n HIS 22 N 0.00 -2.41 -1.41 1.61 -0.00 -1.26 -4.80 115.22 106.96 2k5h n HIS 22 Ca 0.00 0.85 0.13 0.00 -0.00 0.00 0.00 57.72 58.70 2k5h n HIS 22 Cb 0.00 -4.42 -0.03 0.00 -0.00 0.00 0.00 29.99 25.54 2k5h n HIS 22 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2k5h n MET 23 N -4.27 -1.91 -2.88 1.57 2.81 -1.26 -5.07 117.12 106.12 2k5h n MET 23 Ca -0.01 1.26 -0.03 0.00 -1.81 0.00 0.00 57.70 57.11 2k5h n MET 23 Cb 0.56 -2.32 0.01 0.00 -0.71 0.00 0.00 33.22 30.76 2k5h n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k5h n ALA 24 N -1.74 -1.54 -1.49 3.04 0.00 -1.26 -5.14 120.51 112.39 2k5h n ALA 24 Ca 0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 53.44 52.79 2k5h n ALA 24 Cb 0.43 0.40 -0.00 0.00 0.00 0.00 0.00 19.45 20.28 2k5h n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5h n ALA 25 N -1.61 -2.64 -3.43 0.00 0.00 -1.26 -5.09 120.51 106.47 2k5h n ALA 25 Ca -0.09 0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 2k5h n ALA 25 Cb 0.36 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.12 2k5h n ALA 25 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k5h s ARG 26 N -1.51 0.11 -0.17 0.00 0.52 -1.26 -5.12 118.95 111.54 2k5h s ARG 26 Ca -0.00 0.07 -0.05 0.00 -0.52 0.00 0.00 55.73 55.23 2k5h s ARG 26 Cb 0.00 -0.27 0.06 0.00 0.52 0.00 0.00 34.95 35.26 2k5h s ARG 26 CO 0.00 -0.09 0.09 -1.50 0.02 0.00 0.00 175.30 173.82 2k5h s ILE 27 N 0.67 -0.09 0.41 1.52 2.07 -1.26 -5.15 121.20 119.36 2k5h s ILE 27 Ca -0.06 -0.14 0.08 0.00 -1.41 0.00 0.00 60.65 59.11 2k5h s ILE 27 Cb -0.09 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 41.91 2k5h s ILE 27 CO -0.02 -0.27 0.29 -0.89 -1.91 0.00 0.00 174.94 172.15 2k5h s THR 28 N 2.14 2.61 0.00 4.00 2.01 -1.26 -5.08 115.64 120.06 2k5h s THR 28 Ca 0.02 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.53 2k5h s THR 28 Cb -0.16 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2k5h s THR 28 CO -0.09 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 2k5h n GLY 29 N -1.40 1.66 3.53 4.40 0.00 -1.26 -5.05 105.19 107.06 2k5h n GLY 29 Ca 0.01 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.71 2.00 -1.15 1.61 2.02 -1.26 -5.04 118.70 115.17 2k5h s GLU 30 Ca 0.00 -1.07 -0.23 0.00 0.02 0.00 0.00 54.97 53.69 2k5h s GLU 30 Cb 0.00 -2.22 -0.11 0.00 0.10 0.00 0.00 34.13 31.90 2k5h s GLU 30 CO 0.00 0.50 1.94 -2.30 0.02 0.00 0.00 175.26 175.43 2k5h n PRO 31 N 0.88 1.48 -2.19 0.39 -0.02 -1.26 -4.91 135.00 129.36 2k5h n PRO 31 Ca -0.15 -2.37 -0.41 0.00 -2.02 0.00 0.00 63.50 58.55 2k5h n PRO 31 Cb 0.52 -3.69 -0.03 0.00 -0.02 0.00 0.00 33.50 30.28 2k5h n PRO 31 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2k5h s SER 32 N 6.54 5.87 0.31 2.55 1.04 -1.26 -4.98 113.70 123.76 2k5h s SER 32 Ca 0.69 0.62 -0.19 0.00 0.48 0.00 0.00 55.95 57.55 2k5h s SER 32 Cb 0.00 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 2k5h s SER 32 CO 0.14 -1.85 0.80 -0.54 0.98 0.00 0.00 173.24 172.77 2k5h s LYS 33 N 5.88 4.21 -0.24 4.02 1.02 -1.26 -4.52 119.74 128.86 2k5h s LYS 33 Ca 0.64 0.92 -0.06 0.00 0.02 0.00 0.00 55.97 57.49 2k5h s LYS 33 Cb -0.15 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 2k5h s LYS 33 CO 0.27 0.22 0.21 1.17 -0.92 0.00 0.00 175.35 176.30 2k5h n LYS 34 N 0.07 -1.80 -4.03 1.68 4.81 -1.26 -5.07 118.16 112.56 2k5h n LYS 34 Ca 0.02 1.70 -0.23 0.00 -0.87 0.00 0.00 58.31 58.94 2k5h n LYS 34 Cb 0.52 -3.97 -0.03 0.00 0.02 0.00 0.00 35.03 31.57 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 -1.59 3.77 -0.32 3.14 0.00 -1.26 -5.09 121.76 120.41 2k5h s ALA 35 Ca 0.09 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 2k5h s ALA 35 Cb -0.03 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2k5h s ALA 35 CO 0.49 0.31 0.18 0.08 0.00 0.00 0.00 175.76 176.82 2k5h s VAL 36 N -1.98 4.88 0.16 0.00 1.01 -1.26 -5.08 120.40 118.13 2k5h s VAL 36 Ca 0.33 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 2k5h s VAL 36 Cb -0.09 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 2k5h s VAL 36 CO 0.27 0.06 0.44 -0.44 0.00 0.00 0.00 175.10 175.43 2k5h s SER 37 N 1.66 6.56 0.00 3.32 0.01 -1.26 -4.97 113.70 119.02 2k5h s SER 37 Ca 0.05 0.73 0.16 0.00 1.31 0.00 0.00 55.95 58.21 2k5h s SER 37 Cb -0.17 -2.15 0.98 0.00 0.21 0.00 0.00 66.02 64.89 2k5h s SER 37 CO 0.08 0.03 1.52 -0.90 0.41 0.00 0.00 173.24 174.37 2k5h n ASP 38 N 0.12 0.00 0.00 2.44 5.68 -1.26 -3.14 116.55 120.39 2k5h n ASP 38 Ca -0.02 -1.15 0.12 0.00 -0.50 0.00 0.00 54.79 53.24 2k5h n ASP 38 Cb 0.52 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.03 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k5h n ARG 39 N -0.81 0.05 0.02 0.11 1.74 -1.26 -2.63 116.66 113.88 2k5h n ARG 39 Ca 0.12 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 2k5h n ARG 39 Cb 0.06 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.26 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k5h n LEU 40 N -1.47 0.52 -4.66 0.55 4.77 -1.19 -4.72 117.00 110.80 2k5h n LEU 40 Ca 0.07 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 2k5h n LEU 40 Cb 0.27 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2k5h n LEU 40 CO 0.22 0.05 0.69 -0.63 -1.33 0.00 0.00 177.39 176.39 2k5h s ILE 41 N -3.06 4.82 0.00 -0.08 -1.09 -1.08 -3.13 121.20 117.58 2k5h s ILE 41 Ca 0.10 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 2k5h s ILE 41 Cb 0.16 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2k5h s ILE 41 CO 0.69 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.96 2k5h n GLY 42 N 3.56 0.82 3.94 6.18 0.00 0.60 -5.04 105.19 115.24 2k5h n GLY 42 Ca 0.06 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.65 3.49 0.18 1.61 1.81 -1.18 -4.86 118.95 119.35 2k5h s ARG 43 Ca 0.00 -0.26 -0.19 0.00 -1.72 0.00 0.00 55.73 53.55 2k5h s ARG 43 Cb 0.00 -2.63 -0.08 0.00 -0.45 0.00 0.00 34.95 31.80 2k5h s ARG 43 CO 0.00 0.11 0.68 0.21 -0.68 0.00 0.00 175.30 175.62 2k5h s LYS 44 N -4.35 4.24 0.23 3.54 2.36 -1.26 -1.51 119.74 122.99 2k5h s LYS 44 Ca 0.41 0.82 -0.00 0.00 -2.55 0.00 0.00 55.97 54.65 2k5h s LYS 44 Cb -0.10 -2.99 -0.03 0.00 -1.05 0.00 0.00 37.83 33.66 2k5h s LYS 44 CO 0.37 0.47 0.19 0.20 1.55 0.00 0.00 175.35 178.12 2k5h s GLY 45 N -1.52 1.55 0.02 5.54 0.00 0.15 -4.90 107.32 108.15 2k5h s GLY 45 Ca 0.39 -1.71 0.06 0.00 0.00 0.00 0.00 44.72 43.47 2k5h s GLY 45 CO 0.21 -1.35 -0.19 0.54 0.00 0.00 0.00 173.10 172.30 2k5h s VAL 46 N -3.99 1.55 -0.46 1.40 0.11 -1.26 -0.65 120.40 117.10 2k5h s VAL 46 Ca 0.38 -1.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.17 2k5h s VAL 46 Cb 0.05 -1.33 0.03 0.00 -1.53 0.00 0.00 36.38 33.61 2k5h s VAL 46 CO 0.15 0.27 0.84 -0.69 -3.33 0.00 0.00 175.10 172.34 2k5h s VAL 47 N -0.66 4.58 -0.16 2.04 1.01 0.08 -2.98 120.40 124.30 2k5h s VAL 47 Ca 0.07 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.61 2k5h s VAL 47 Cb -0.08 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 2k5h s VAL 47 CO 0.01 -0.78 0.19 0.23 0.00 0.00 0.00 175.10 174.74 2k5h n MET 48 N 6.90 0.69 -5.26 2.72 2.81 -0.05 -0.74 117.12 124.19 2k5h n MET 48 Ca 0.03 0.18 -0.31 0.00 -1.81 0.00 0.00 57.70 55.79 2k5h n MET 48 Cb 0.48 -1.63 -0.17 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 2.59 0.02 0.03 2.56 -1.00 -4.85 118.70 115.50 2k5h s GLU 49 Ca -0.20 -0.90 -0.34 0.00 0.00 0.00 0.00 54.97 53.52 2k5h s GLU 49 Cb 0.07 -2.17 -0.13 0.00 2.00 0.00 0.00 34.13 33.91 2k5h s GLU 49 CO 0.74 0.36 1.72 0.00 -0.56 0.00 0.00 175.26 177.53 2k5h n ALA 50 N 3.00 1.00 -2.73 6.30 0.00 -1.26 -2.59 120.51 124.24 2k5h n ALA 50 Ca -0.18 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 2k5h n ALA 50 Cb 0.52 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 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 2.52 5.19 0.19 0.00 1.01 -0.88 -3.94 121.20 125.27 2k5h s ILE 51 Ca 0.86 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.69 2k5h s ILE 51 Cb -0.71 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 2k5h s ILE 51 CO 0.46 0.38 -0.11 -0.94 0.00 0.00 0.00 174.94 174.72 2k5h s SER 52 N 0.88 2.24 0.47 3.58 1.04 -0.36 -0.33 113.70 121.22 2k5h s SER 52 Ca 0.07 -1.04 0.18 0.00 0.48 0.00 0.00 55.95 55.63 2k5h s SER 52 Cb -0.13 -0.08 1.17 0.00 0.10 0.00 0.00 66.02 67.08 2k5h s SER 52 CO 0.03 -0.26 2.00 -0.65 0.98 0.00 0.00 173.24 175.34 2k5h h PRO 53 N 2.62 0.23 0.00 4.02 0.11 -1.69 -3.18 132.00 134.10 2k5h h PRO 53 Ca -0.38 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2k5h h PRO 53 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k5h h PRO 53 CO 0.63 0.15 -0.27 1.96 -0.21 0.00 0.00 178.00 180.26 2k5h h GLN 54 N 0.23 0.00 -5.30 1.05 4.20 -1.95 -3.47 115.11 109.87 2k5h h GLN 54 Ca 0.24 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.30 2k5h h GLN 54 Cb 0.64 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.17 2k5h h GLN 54 CO -0.05 0.12 -0.72 1.21 -0.67 0.00 0.00 178.83 178.72 2k5h s ASN 55 N -5.74 4.39 0.77 1.46 2.47 -1.20 -5.10 114.94 111.99 2k5h s ASN 55 Ca -0.09 -0.23 -0.12 0.00 0.42 0.00 0.00 52.86 52.84 2k5h s ASN 55 Cb 0.01 -1.69 0.06 0.00 -1.45 0.00 0.00 41.25 38.17 2k5h s ASN 55 CO 0.16 0.16 1.12 -0.44 -3.72 0.00 0.00 177.10 174.38 2k5h s SER 56 N 0.38 4.35 0.00 -4.21 0.01 -1.26 -1.22 113.70 111.74 2k5h s SER 56 Ca -0.07 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2k5h s SER 56 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2k5h s SER 56 CO 0.04 -2.14 0.00 0.61 0.41 0.00 0.00 173.24 172.16 2k5h n GLY 57 N -0.66 6.14 3.05 3.44 0.00 -0.23 -4.74 105.19 112.19 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 1.68 0.20 0.99 1.43 -1.07 -0.81 118.68 121.11 2k5h s LEU 58 Ca 0.00 -0.35 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2k5h s LEU 58 Cb 0.00 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 2k5h s LEU 58 CO 0.00 0.04 -0.17 -0.69 0.23 0.00 0.00 176.35 175.75 2k5h s VAL 59 N 0.74 2.71 -0.21 -1.59 1.01 0.00 -0.87 120.40 122.19 2k5h s VAL 59 Ca -0.13 -1.94 0.02 0.00 0.00 0.00 0.00 61.98 59.93 2k5h s VAL 59 Cb -0.16 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.92 2k5h s VAL 59 CO 0.03 -0.16 -0.15 -0.75 0.00 0.00 0.00 175.10 174.07 2k5h s LYS 60 N -2.87 2.49 -1.12 2.72 2.20 -1.16 0.12 119.74 122.13 2k5h s LYS 60 Ca 0.24 -1.01 -0.05 0.00 -0.36 0.00 0.00 55.97 54.78 2k5h s LYS 60 Cb -0.08 -2.64 0.28 0.00 -1.51 0.00 0.00 37.83 33.89 2k5h s LYS 60 CO 0.13 -0.39 1.52 0.28 -0.36 0.00 0.00 175.35 176.53 2k5h n VAL 61 N 4.57 5.12 0.00 4.02 0.31 0.36 -4.04 118.33 128.66 2k5h n VAL 61 Ca -0.17 -5.64 0.00 0.00 -0.01 0.00 0.00 64.34 58.52 2k5h n VAL 61 Cb 0.46 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 2k5h n VAL 61 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2k5h n ASP 62 N 1.89 0.00 -0.04 4.52 10.43 -1.26 -3.01 116.55 129.08 2k5h n ASP 62 Ca 0.28 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.53 2k5h n ASP 62 Cb 0.34 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.16 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2k5h n GLY 63 N 0.00 -0.89 3.40 0.44 0.00 -1.26 -4.95 105.19 101.93 2k5h n GLY 63 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.57 2.17 -0.26 1.61 0.41 -1.16 -5.11 118.70 113.79 2k5h s GLU 64 Ca -0.10 -0.90 -0.11 0.00 -0.41 0.00 0.00 54.97 53.44 2k5h s GLU 64 Cb 0.07 -2.16 -0.05 0.00 -1.78 0.00 0.00 34.13 30.21 2k5h s GLU 64 CO 0.80 0.57 0.20 0.99 -0.49 0.00 0.00 175.26 177.33 2k5h s THR 65 N -0.75 5.32 0.22 3.63 2.01 -1.26 -0.49 115.64 124.32 2k5h s THR 65 Ca 0.12 0.23 0.11 0.00 0.31 0.00 0.00 61.69 62.45 2k5h s THR 65 Cb -0.10 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2k5h s THR 65 CO 0.01 0.29 -0.16 0.26 -0.69 0.00 0.00 174.62 174.33 2k5h s TRP 66 N 1.44 2.45 0.20 4.92 0.52 0.12 -4.95 118.94 123.64 2k5h s TRP 66 Ca 0.08 -0.29 -0.25 0.00 0.02 0.00 0.00 56.10 55.66 2k5h s TRP 66 Cb -0.15 -1.15 -0.08 0.00 -1.15 0.00 0.00 33.47 30.93 2k5h s TRP 66 CO 0.08 0.57 0.82 1.03 0.02 0.00 0.00 176.95 179.47 2k5h s ARG 67 N -3.06 4.58 -0.00 4.98 3.00 -1.26 -0.82 118.95 126.37 2k5h s ARG 67 Ca 0.26 1.20 0.02 0.00 0.00 0.00 0.00 55.73 57.21 2k5h s ARG 67 Cb -0.07 -3.17 -0.01 0.00 0.00 0.00 0.00 34.95 31.70 2k5h s ARG 67 CO 0.14 0.51 -0.08 0.00 0.00 0.00 0.00 175.30 175.87 2k5h s ALA 68 N -1.25 0.67 0.02 2.13 0.00 0.01 -0.17 121.76 123.16 2k5h s ALA 68 Ca 0.39 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.04 2k5h s ALA 68 Cb -0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2k5h s ALA 68 CO 0.26 0.16 -0.15 0.95 0.00 0.00 0.00 175.76 176.98 2k5h s THR 69 N -0.24 3.02 0.07 0.00 -4.23 0.76 -1.07 115.64 113.94 2k5h s THR 69 Ca 0.03 -1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 59.43 2k5h s THR 69 Cb -0.03 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 2k5h s THR 69 CO -0.00 0.38 0.13 -0.44 -0.54 0.00 0.00 174.62 174.14 2k5h s SER 70 N -1.37 0.19 0.00 3.99 0.01 -1.26 -2.66 113.70 112.61 2k5h s SER 70 Ca 0.15 -0.67 0.19 0.00 1.31 0.00 0.00 55.95 56.94 2k5h s SER 70 Cb -0.11 0.29 0.53 0.00 0.21 0.00 0.00 66.02 66.94 2k5h s SER 70 CO 0.05 -0.65 1.43 0.61 0.41 0.00 0.00 173.24 175.10 2k5h n GLY 71 N 0.20 1.32 3.42 3.44 0.00 -1.26 -3.45 105.19 108.85 2k5h n GLY 71 Ca -0.16 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.44 1.21 -0.43 2.61 2.01 -1.26 -4.84 115.64 113.51 2k5h s THR 72 Ca 0.36 -2.03 -0.20 0.00 0.31 0.00 0.00 61.69 60.14 2k5h s THR 72 Cb 0.20 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 70.07 2k5h s THR 72 CO 0.27 -0.11 0.58 -0.69 -0.69 0.00 0.00 174.62 173.98 2k5h s VAL 73 N -3.29 4.91 -0.23 3.82 1.01 -1.26 -4.00 120.40 121.36 2k5h s VAL 73 Ca 0.34 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 2k5h s VAL 73 Cb 0.07 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2k5h s VAL 73 CO 0.14 -0.52 0.13 -0.76 0.00 0.00 0.00 175.10 174.08 2k5h s LEU 74 N 2.61 3.97 0.57 3.92 1.43 0.55 -5.00 118.68 126.72 2k5h s LEU 74 Ca 0.20 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.28 2k5h s LEU 74 Cb -0.15 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2k5h s LEU 74 CO 0.17 0.08 0.93 -1.81 0.23 0.00 0.00 176.35 175.95 2k5h s ASP 75 N 0.95 6.08 0.13 2.29 1.01 -1.26 -2.08 116.67 123.79 2k5h s ASP 75 Ca 0.06 1.11 -0.31 0.00 0.71 0.00 0.00 52.55 54.13 2k5h s ASP 75 Cb -0.13 -2.23 -0.07 0.00 1.01 0.00 0.00 42.92 41.49 2k5h s ASP 75 CO 0.03 -0.83 1.29 -0.69 0.21 0.00 0.00 175.17 175.18 2k5h s VAL 76 N -3.01 3.53 0.00 -1.27 1.01 -1.26 -2.58 120.40 116.82 2k5h s VAL 76 Ca 0.52 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2k5h s VAL 76 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2k5h s VAL 76 CO 0.49 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2k5h n GLY 77 N 2.94 0.63 3.87 4.51 0.00 0.08 -5.03 105.19 112.19 2k5h n GLY 77 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.80 2.67 -0.17 1.61 0.41 -1.07 -4.82 118.70 116.53 2k5h s GLU 78 Ca 0.00 0.49 -0.01 0.00 -0.41 0.00 0.00 54.97 55.04 2k5h s GLU 78 Cb 0.00 -2.00 -0.01 0.00 -1.78 0.00 0.00 34.13 30.35 2k5h s GLU 78 CO 0.00 -1.18 -0.12 -1.21 -0.49 0.00 0.00 175.26 172.26 2k5h s GLU 79 N -5.32 3.29 0.15 1.61 0.41 -1.26 -0.74 118.70 116.84 2k5h s GLU 79 Ca 0.59 -0.70 0.08 0.00 -0.41 0.00 0.00 54.97 54.53 2k5h s GLU 79 Cb -0.12 -2.74 -0.04 0.00 -1.78 0.00 0.00 34.13 29.46 2k5h s GLU 79 CO 0.52 -0.01 -0.18 0.14 -0.49 0.00 0.00 175.26 175.24 2k5h s VAL 80 N 0.93 1.74 -0.18 2.63 -7.23 0.18 -0.90 120.40 117.56 2k5h s VAL 80 Ca -0.02 -1.83 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 2k5h s VAL 80 Cb -0.15 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 2k5h s VAL 80 CO -0.01 -0.29 0.08 -0.44 -0.31 0.00 0.00 175.10 174.13 2k5h s SER 81 N -2.51 5.76 -0.57 4.85 0.01 0.74 0.32 113.70 122.30 2k5h s SER 81 Ca 0.13 0.13 -0.28 0.00 1.31 0.00 0.00 55.95 57.24 2k5h s SER 81 Cb -0.06 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.20 2k5h s SER 81 CO 0.06 0.19 1.35 -0.69 0.41 0.00 0.00 173.24 174.56 2k5h s VAL 82 N 0.29 3.84 -0.07 3.43 1.01 -0.57 -1.94 120.40 126.39 2k5h s VAL 82 Ca 0.05 0.72 0.07 0.00 0.00 0.00 0.00 61.98 62.81 2k5h s VAL 82 Cb -0.12 -4.53 -0.24 0.00 0.00 0.00 0.00 36.38 31.49 2k5h s VAL 82 CO -0.00 -1.24 0.58 1.17 0.00 0.00 0.00 175.10 175.60 2k5h n LYS 83 N 8.64 0.67 -3.86 2.72 4.81 0.14 -0.29 118.16 130.99 2k5h n LYS 83 Ca 0.11 0.29 -0.05 0.00 -0.87 0.00 0.00 58.31 57.79 2k5h n LYS 83 Cb 0.49 -1.77 0.02 0.00 0.02 0.00 0.00 35.03 33.79 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5h s ALA 84 N -2.59 -1.27 -0.04 3.14 0.00 -0.94 -4.75 121.76 115.32 2k5h s ALA 84 Ca -0.10 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.40 2k5h s ALA 84 Cb 0.08 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 2k5h s ALA 84 CO 0.81 -1.04 -0.18 0.42 0.00 0.00 0.00 175.76 175.77 2k5h s ILE 85 N -2.17 1.52 -0.19 0.00 1.01 -1.26 0.12 121.20 120.23 2k5h s ILE 85 Ca 0.20 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 2k5h s ILE 85 Cb -0.04 -1.29 0.06 0.00 0.01 0.00 0.00 42.46 41.20 2k5h s ILE 85 CO 0.08 0.43 0.02 -0.70 0.00 0.00 0.00 174.94 174.77 2k5h s GLU 86 N -0.08 0.76 6.93 2.79 2.12 0.50 -4.89 118.70 126.84 2k5h s GLU 86 Ca -0.02 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2k5h s GLU 86 Cb -0.11 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.15 2k5h s GLU 86 CO 0.02 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 2k5h n GLY 87 N 5.01 2.11 0.04 -1.50 0.00 -1.26 -1.97 105.19 107.62 2k5h n GLY 87 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.82 -4.18 1.61 0.31 -1.26 -5.03 118.33 110.60 2k5h n VAL 88 Ca 0.00 -0.91 -0.27 0.00 -0.01 0.00 0.00 64.34 63.15 2k5h n VAL 88 Cb 0.00 0.59 -0.08 0.00 -0.91 0.00 0.00 33.84 33.44 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 -0.83 2.44 0.22 5.55 1.02 -0.83 -4.68 119.74 122.64 2k5h s LYS 89 Ca 0.01 -1.04 -0.13 0.00 0.02 0.00 0.00 55.97 54.84 2k5h s LYS 89 Cb 0.01 -2.41 -0.08 0.00 -0.52 0.00 0.00 37.83 34.83 2k5h s LYS 89 CO 0.01 0.48 0.60 -0.51 -0.92 0.00 0.00 175.35 175.01 2k5h s LEU 90 N -2.79 4.21 -0.50 3.17 1.43 0.76 -0.37 118.68 124.59 2k5h s LEU 90 Ca 0.27 1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 2k5h s LEU 90 Cb -0.10 -3.64 0.12 0.00 0.03 0.00 0.00 46.19 42.60 2k5h s LEU 90 CO 0.19 -0.04 0.41 -0.69 0.23 0.00 0.00 176.35 176.44 2k5h s VAL 91 N -1.73 4.69 0.24 -1.59 1.01 0.12 -0.17 120.40 122.96 2k5h s VAL 91 Ca 0.46 -1.61 0.11 0.00 0.00 0.00 0.00 61.98 60.93 2k5h s VAL 91 Cb -0.12 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2k5h s VAL 91 CO 0.20 -0.80 -0.14 0.68 0.00 0.00 0.00 175.10 175.04 2k5h s VAL 92 N 1.48 2.83 0.05 2.92 -7.23 -1.09 -0.68 120.40 118.67 2k5h s VAL 92 Ca 0.04 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.08 2k5h s VAL 92 Cb -0.28 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.22 2k5h s VAL 92 CO 0.01 -0.27 0.17 -1.83 -0.31 0.00 0.00 175.10 172.88 2k5h s GLU 93 N -3.22 0.69 0.41 4.82 -1.05 -0.82 -4.48 118.70 115.06 2k5h s GLU 93 Ca 0.27 -0.71 -0.26 0.00 -0.15 0.00 0.00 54.97 54.12 2k5h s GLU 93 Cb -0.07 0.28 -0.09 0.00 -0.44 0.00 0.00 34.13 33.82 2k5h s GLU 93 CO 0.15 -0.20 1.28 0.21 0.95 0.00 0.00 175.26 177.65 2k5h s LYS 94 N -2.78 3.97 1.23 -4.83 2.20 -1.26 -0.19 119.74 118.08 2k5h s LYS 94 Ca -0.03 2.10 -0.21 0.00 -0.36 0.00 0.00 55.97 57.47 2k5h s LYS 94 Cb -0.00 -2.73 0.30 0.00 -1.51 0.00 0.00 37.83 33.89 2k5h s LYS 94 CO -0.05 -0.47 1.11 1.28 -0.36 0.00 0.00 175.35 176.86 2k5h n LEU 95 N 0.10 0.00 -2.00 5.43 4.32 -0.08 -4.39 117.00 120.38 2k5h n LEU 95 Ca 0.04 -1.19 -0.14 0.00 -0.02 0.00 0.00 56.01 54.70 2k5h n LEU 95 Cb 0.44 -1.01 0.02 0.00 -1.62 0.00 0.00 43.42 41.25 2k5h n LEU 95 CO 0.55 -2.14 0.01 1.21 -1.22 0.00 0.00 177.39 175.79 2k5h n GLU 96 N -4.83 -3.18 -1.73 3.23 2.13 -1.26 -4.97 120.64 110.03 2k5h n GLU 96 Ca 0.15 0.57 -0.36 0.00 0.66 0.00 0.00 57.16 58.19 2k5h n GLU 96 Cb 0.59 -4.74 0.07 0.00 0.27 0.00 0.00 31.44 27.63 2k5h n GLU 96 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2k5h s GLU 97 N -5.28 2.54 -1.01 5.31 -6.30 -1.26 -2.62 118.70 110.08 2k5h s GLU 97 Ca 0.20 1.93 -0.05 0.00 -2.50 0.00 0.00 54.97 54.55 2k5h s GLU 97 Cb -0.09 -1.86 0.01 0.00 0.00 0.00 0.00 34.13 32.19 2k5h s GLU 97 CO 0.25 -1.57 0.87 0.94 0.02 0.00 0.00 175.26 175.77 2k5h n GLN 98 N -2.04 -5.84 -1.54 4.30 7.27 -1.26 -4.86 117.38 113.41 2k5h n GLN 98 Ca 0.15 0.64 -0.43 0.00 0.07 0.00 0.00 57.00 57.43 2k5h n GLN 98 Cb 0.49 -5.10 -0.05 0.00 2.41 0.00 0.00 30.24 27.99 2k5h n GLN 98 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2k5h n LYS 99 N -3.80 1.34 0.00 3.69 4.81 -1.08 -3.99 118.16 119.13 2k5h n LYS 99 Ca -0.06 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2k5h n LYS 99 Cb 0.57 -3.00 0.00 0.00 0.02 0.00 0.00 35.03 32.62 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 6.09 0.49 0.00 3.14 0.00 -1.26 -5.23 105.19 108.42 2k5h n GLY 100 Ca 0.37 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76