#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5u s PRO 11 N 0.00 3.43 0.20 -1.58 0.04 -1.26 -4.57 135.00 131.26 1k5u s PRO 11 Ca 0.00 -0.41 -0.01 0.00 0.04 0.00 0.00 61.00 60.62 1k5u s PRO 11 Cb 0.00 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1k5u s PRO 11 CO 0.00 0.13 0.13 0.15 0.04 0.00 0.00 177.00 177.45 1k5u s LYS 12 N -4.30 1.21 -0.13 4.56 1.02 0.67 -3.71 119.74 119.07 1k5u s LYS 12 Ca 0.40 -1.64 -0.06 0.00 0.02 0.00 0.00 55.97 54.70 1k5u s LYS 12 Cb -0.10 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1k5u s LYS 12 CO 0.35 -0.39 0.08 -0.51 -0.92 0.00 0.00 175.35 173.96 1k5u s LEU 13 N -3.16 3.98 -0.49 3.17 1.43 0.15 -1.95 118.68 121.80 1k5u s LEU 13 Ca 0.39 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 1k5u s LEU 13 Cb 0.07 -1.97 0.10 0.00 0.03 0.00 0.00 46.19 44.43 1k5u s LEU 13 CO 0.12 0.33 0.42 -0.76 0.23 0.00 0.00 176.35 176.69 1k5u s LEU 14 N -0.56 5.82 -0.26 1.79 1.43 -1.26 0.04 118.68 125.68 1k5u s LEU 14 Ca 0.11 -1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 51.39 1k5u s LEU 14 Cb -0.12 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 1k5u s LEU 14 CO 0.02 -0.73 0.75 -0.47 0.23 0.00 0.00 176.35 176.15 1k5u s TYR 15 N 1.57 3.28 -0.39 0.29 5.04 0.11 0.45 117.35 127.70 1k5u s TYR 15 Ca 0.04 0.96 -0.23 0.00 -2.44 0.00 0.00 57.07 55.40 1k5u s TYR 15 Cb -0.27 -3.01 0.01 0.00 0.35 0.00 0.00 41.96 39.05 1k5u s TYR 15 CO 0.04 -0.41 0.76 0.00 -1.34 0.00 0.00 175.55 174.60 1k5u h SER 17 N 8.61 0.13 0.07 0.00 0.87 -1.61 1.28 113.55 122.89 1k5u h SER 17 Ca -0.25 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1k5u h SER 17 Cb 1.09 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1k5u h SER 17 CO 0.91 0.10 -0.41 -1.13 -0.53 0.00 0.00 176.83 175.77 1k5u h ASN 18 N 0.15 -1.24 -0.01 6.23 -1.24 -1.77 -3.29 115.58 114.41 1k5u h ASN 18 Ca 0.04 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1k5u h ASN 18 Cb -0.02 0.46 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1k5u h ASN 18 CO -0.01 -0.42 -0.01 0.61 -1.29 0.00 0.00 177.43 176.31 1k5u n GLY 19 N -1.37 -0.46 2.17 1.57 0.00 -1.21 -4.83 105.19 101.06 1k5u n GLY 19 Ca -0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1k5u n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k5u n GLY 20 N 0.57 0.53 3.91 -0.02 0.00 0.44 -4.97 105.19 105.65 1k5u n GLY 20 Ca 0.06 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1k5u n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k5u s HIS 21 N -2.30 3.48 -0.13 1.61 3.76 -0.98 -4.72 115.29 116.00 1k5u s HIS 21 Ca 0.00 0.52 -0.14 0.00 -0.15 0.00 0.00 55.06 55.29 1k5u s HIS 21 Cb 0.00 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 1k5u s HIS 21 CO 0.00 0.25 0.33 -0.06 -0.85 0.00 0.00 174.74 174.41 1k5u s PHE 22 N -2.01 3.51 0.25 1.40 0.08 0.56 0.25 117.98 122.01 1k5u s PHE 22 Ca 0.42 0.70 -0.31 0.00 0.12 0.00 0.00 56.93 57.86 1k5u s PHE 22 Cb -0.11 -2.35 -0.12 0.00 -0.57 0.00 0.00 43.02 39.87 1k5u s PHE 22 CO 0.30 0.31 1.61 -0.11 -0.10 0.00 0.00 175.22 177.22 1k5u n LEU 23 N 3.27 3.95 -3.93 -0.37 7.94 0.17 -2.14 117.00 125.90 1k5u n LEU 23 Ca -0.12 1.11 -0.19 0.00 -1.11 0.00 0.00 56.01 55.70 1k5u n LEU 23 Cb 0.52 -1.55 -0.16 0.00 0.53 0.00 0.00 43.42 42.76 1k5u n LEU 23 CO 0.40 0.03 -0.42 -0.60 -1.11 0.00 0.00 177.39 175.69 1k5u s ARG 24 N 0.14 0.81 -0.41 1.96 3.52 0.11 -4.44 118.95 120.64 1k5u s ARG 24 Ca 0.69 -0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 56.09 1k5u s ARG 24 Cb -0.54 -0.79 0.11 0.00 -1.56 0.00 0.00 34.95 32.17 1k5u s ARG 24 CO 0.43 -0.01 0.21 0.42 -0.81 0.00 0.00 175.30 175.54 1k5u s ILE 25 N 0.59 3.35 0.61 4.11 1.01 -1.09 -0.81 121.20 128.97 1k5u s ILE 25 Ca -0.08 -2.01 -0.16 0.00 0.00 0.00 0.00 60.65 58.40 1k5u s ILE 25 Cb -0.11 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 1k5u s ILE 25 CO 0.00 -0.68 1.09 -0.76 0.00 0.00 0.00 174.94 174.60 1k5u s LEU 26 N 1.16 3.50 0.59 2.97 1.43 -0.37 -4.83 118.68 123.13 1k5u s LEU 26 Ca 0.08 1.96 0.29 0.00 -1.03 0.00 0.00 54.13 55.42 1k5u s LEU 26 Cb -0.23 -4.55 1.60 0.00 0.03 0.00 0.00 46.19 43.04 1k5u s LEU 26 CO -0.04 -1.37 2.03 1.55 0.23 0.00 0.00 176.35 178.75 1k5u h PRO 27 N 0.40 0.00 -0.09 1.29 0.13 -1.99 -0.69 132.00 131.05 1k5u h PRO 27 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k5u h PRO 27 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1k5u h PRO 27 CO 0.56 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.93 1k5u n ASP 28 N -3.77 0.60 0.00 1.44 5.75 -1.26 -4.88 116.55 114.43 1k5u n ASP 28 Ca 0.04 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1k5u n ASP 28 Cb 0.44 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1k5u n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k5u n GLY 29 N 0.79 1.64 3.88 6.12 0.00 -0.27 -4.97 105.19 112.39 1k5u n GLY 29 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1k5u n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k5u s THR 30 N -2.74 4.77 -0.04 2.61 -4.23 -1.25 0.19 115.64 114.94 1k5u s THR 30 Ca 0.00 0.68 0.02 0.00 -1.18 0.00 0.00 61.69 61.20 1k5u s THR 30 Cb 0.00 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 70.00 1k5u s THR 30 CO 0.00 -1.02 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.29 1k5u s VAL 31 N -2.99 0.79 0.08 2.29 1.01 -1.26 -1.23 120.40 119.09 1k5u s VAL 31 Ca 0.53 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1k5u s VAL 31 Cb -0.11 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1k5u s VAL 31 CO 0.49 0.27 0.14 -0.90 0.00 0.00 0.00 175.10 175.11 1k5u n ASP 32 N 3.69 -0.42 -4.69 3.32 5.75 0.01 -4.50 116.55 119.71 1k5u n ASP 32 Ca -0.22 -1.37 -0.31 0.00 -0.01 0.00 0.00 54.79 52.88 1k5u n ASP 32 Cb 0.52 0.72 -0.08 0.00 -1.03 0.00 0.00 41.12 41.25 1k5u n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1k5u s GLY 33 N -1.46 1.92 -0.09 6.12 0.00 0.33 0.07 107.32 114.21 1k5u s GLY 33 Ca 0.05 -1.06 -0.08 0.00 0.00 0.00 0.00 44.72 43.62 1k5u s GLY 33 CO 0.03 -1.01 0.24 -1.08 0.00 0.00 0.00 173.10 171.28 1k5u s THR 34 N -1.26 -0.00 -0.62 0.90 -1.32 -0.91 -4.79 115.64 107.64 1k5u s THR 34 Ca 0.24 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.97 1k5u s THR 34 Cb -0.12 -0.34 0.06 0.00 -1.51 0.00 0.00 72.50 70.60 1k5u s THR 34 CO 0.16 0.00 1.33 0.03 -2.21 0.00 0.00 174.62 173.94 1k5u h ARG 35 N 5.79 0.00 -6.07 7.08 3.08 -1.89 0.16 114.38 122.53 1k5u h ARG 35 Ca -0.26 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.28 1k5u h ARG 35 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 1k5u h ARG 35 CO 0.36 0.00 1.30 0.34 -1.07 0.00 0.00 179.97 180.90 1k5u s ASP 36 N -4.35 5.47 0.60 7.04 2.15 -1.26 -4.87 116.67 121.46 1k5u s ASP 36 Ca 0.06 0.36 0.32 0.00 0.43 0.00 0.00 52.55 53.72 1k5u s ASP 36 Cb 0.13 -2.53 1.91 0.00 -0.30 0.00 0.00 42.92 42.12 1k5u s ASP 36 CO 0.72 -2.22 2.26 0.03 -0.17 0.00 0.00 175.17 175.79 1k5u h ARG 37 N 14.05 0.00 -0.01 4.34 3.08 -2.01 -1.50 114.38 132.32 1k5u h ARG 37 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1k5u h ARG 37 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1k5u h ARG 37 CO 1.20 0.00 -0.11 -1.13 -1.07 0.00 0.00 179.97 178.86 1k5u n SER 38 N -3.73 0.63 -4.66 7.04 3.41 -1.26 -4.92 113.62 110.13 1k5u n SER 38 Ca -0.03 -0.75 -0.47 0.00 -0.26 0.00 0.00 58.87 57.37 1k5u n SER 38 Cb 0.10 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1k5u n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k5u n ASP 39 N -0.79 2.91 0.24 4.04 -0.08 -0.57 -4.86 116.55 117.44 1k5u n ASP 39 Ca 0.15 1.09 0.13 0.00 -1.51 0.00 0.00 54.79 54.65 1k5u n ASP 39 Cb 0.28 -1.40 0.54 0.00 2.34 0.00 0.00 41.12 42.88 1k5u n ASP 39 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1k5u h GLN 40 N 5.62 0.00 -0.19 -0.67 1.08 -1.91 -3.21 115.11 115.83 1k5u h GLN 40 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1k5u h GLN 40 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1k5u h GLN 40 CO 0.86 0.13 0.00 0.72 -0.95 0.00 0.00 178.83 179.60 1k5u n HIS 41 N -3.28 0.26 0.98 2.96 8.25 -1.26 -4.09 115.22 119.03 1k5u n HIS 41 Ca 0.00 -0.13 0.11 0.00 -0.26 0.00 0.00 57.72 57.44 1k5u n HIS 41 Cb 0.38 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 1k5u n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1k5u n ILE 42 N 0.16 0.00 -2.76 1.59 -5.35 -1.21 -2.66 119.36 109.12 1k5u n ILE 42 Ca 0.12 -0.20 -0.43 0.00 -0.27 0.00 0.00 62.75 61.98 1k5u n ILE 42 Cb 0.24 1.19 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 1k5u n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1k5u s GLN 43 N -2.58 3.55 -0.04 6.28 -0.21 -1.26 -4.49 119.66 120.91 1k5u s GLN 43 Ca 0.15 0.21 0.04 0.00 0.02 0.00 0.00 55.36 55.78 1k5u s GLN 43 Cb 0.17 -3.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.21 1k5u s GLN 43 CO 0.64 -1.32 -0.15 -0.51 -2.12 0.00 0.00 175.29 171.83 1k5u s LEU 44 N 4.01 2.71 -0.21 2.90 1.43 -0.82 -2.11 118.68 126.59 1k5u s LEU 44 Ca 0.39 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1k5u s LEU 44 Cb -0.09 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 1k5u s LEU 44 CO 0.27 0.34 -0.01 0.00 0.23 0.00 0.00 176.35 177.17 1k5u s GLN 45 N -0.81 3.55 -0.15 1.70 1.03 -0.15 -0.24 119.66 124.60 1k5u s GLN 45 Ca 0.12 -0.55 -0.14 0.00 0.04 0.00 0.00 55.36 54.82 1k5u s GLN 45 Cb -0.11 -3.05 -0.05 0.00 0.03 0.00 0.00 33.01 29.83 1k5u s GLN 45 CO 0.01 -0.04 0.32 -0.51 -2.54 0.00 0.00 175.29 172.53 1k5u s LEU 46 N 1.13 4.25 -0.07 2.60 1.02 -1.26 -1.52 118.68 124.83 1k5u s LEU 46 Ca 0.02 0.56 0.00 0.00 0.02 0.00 0.00 54.13 54.74 1k5u s LEU 46 Cb -0.14 -2.42 0.02 0.00 0.02 0.00 0.00 46.19 43.66 1k5u s LEU 46 CO 0.01 0.09 -0.05 -0.94 0.02 0.00 0.00 176.35 175.47 1k5u s SER 47 N 0.45 1.60 -0.04 2.29 1.04 -0.12 -4.93 113.70 113.99 1k5u s SER 47 Ca 0.18 -0.19 -0.29 0.00 0.48 0.00 0.00 55.95 56.13 1k5u s SER 47 Cb -0.13 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.34 1k5u s SER 47 CO 0.05 -0.10 0.95 0.00 0.98 0.00 0.00 173.24 175.12 1k5u s ALA 48 N 1.38 3.24 0.00 5.32 0.00 -1.26 0.04 121.76 130.49 1k5u s ALA 48 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1k5u s ALA 48 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1k5u s ALA 48 CO -0.03 -0.31 0.00 -1.91 0.00 0.00 0.00 175.76 173.51 1k5u n GLU 49 N 4.18 0.00 -3.00 0.00 2.13 -0.37 -4.97 120.64 118.61 1k5u n GLU 49 Ca 0.06 0.35 -0.18 0.00 0.66 0.00 0.00 57.16 58.05 1k5u n GLU 49 Cb 0.50 -0.84 0.02 0.00 0.27 0.00 0.00 31.44 31.40 1k5u n GLU 49 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1k5u n SER 50 N -1.79 2.07 -4.74 4.31 7.64 -1.26 -5.02 113.62 114.84 1k5u n SER 50 Ca 0.00 -2.36 -0.41 0.00 1.01 0.00 0.00 58.87 57.11 1k5u n SER 50 Cb 0.00 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1k5u n SER 50 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1k5u s VAL 51 N -2.00 3.75 0.00 0.44 1.01 -1.26 -2.51 120.40 119.82 1k5u s VAL 51 Ca 0.34 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1k5u s VAL 51 Cb -0.03 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1k5u s VAL 51 CO 0.22 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1k5u n GLY 52 N 1.77 1.82 3.64 4.51 0.00 -1.26 -4.98 105.19 110.69 1k5u n GLY 52 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1k5u n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k5u s GLU 53 N -0.06 3.93 0.05 1.61 2.02 -1.05 -0.92 118.70 124.28 1k5u s GLU 53 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 54.97 54.62 1k5u s GLU 53 Cb 0.00 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 1k5u s GLU 53 CO 0.00 0.30 -0.00 0.14 0.02 0.00 0.00 175.26 175.72 1k5u s VAL 54 N 0.30 0.18 0.03 2.63 -7.23 0.30 -1.24 120.40 115.37 1k5u s VAL 54 Ca 0.03 -1.51 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1k5u s VAL 54 Cb -0.12 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1k5u s VAL 54 CO 0.00 -0.84 0.00 -0.31 -0.31 0.00 0.00 175.10 173.65 1k5u s TYR 55 N -3.30 3.05 -0.35 2.82 2.02 0.11 -1.88 117.35 119.81 1k5u s TYR 55 Ca 0.01 0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 1k5u s TYR 55 Cb 0.03 -1.62 0.11 0.00 -0.40 0.00 0.00 41.96 40.08 1k5u s TYR 55 CO -0.08 0.47 0.12 0.42 -1.57 0.00 0.00 175.55 174.91 1k5u s ILE 56 N -1.17 1.29 0.07 2.71 1.01 -1.26 -0.95 121.20 122.91 1k5u s ILE 56 Ca 0.22 -1.87 0.02 0.00 0.00 0.00 0.00 60.65 59.02 1k5u s ILE 56 Cb -0.12 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1k5u s ILE 56 CO 0.13 -0.71 0.13 -0.75 0.00 0.00 0.00 174.94 173.75 1k5u s LYS 57 N 1.16 3.11 -0.21 2.79 2.20 -0.57 -0.53 119.74 127.69 1k5u s LYS 57 Ca 0.12 -0.59 -0.25 0.00 -0.36 0.00 0.00 55.97 54.89 1k5u s LYS 57 Cb -0.19 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1k5u s LYS 57 CO -0.16 0.58 0.82 0.45 -0.36 0.00 0.00 175.35 176.68 1k5u s SER 58 N -2.46 6.87 0.33 1.43 0.15 0.44 -0.97 113.70 119.49 1k5u s SER 58 Ca 0.32 1.07 0.15 0.00 0.70 0.00 0.00 55.95 58.19 1k5u s SER 58 Cb -0.12 -2.44 0.55 0.00 -1.71 0.00 0.00 66.02 62.30 1k5u s SER 58 CO 0.24 -0.45 1.68 0.71 1.20 0.00 0.00 173.24 176.63 1k5u h THR 59 N 5.32 1.11 -0.00 6.45 1.35 -1.76 0.39 112.91 125.77 1k5u h THR 59 Ca -0.26 -1.76 -0.11 0.00 -0.55 0.00 0.00 66.41 63.73 1k5u h THR 59 Cb 1.11 2.01 0.01 0.00 -1.73 0.00 0.00 68.15 69.55 1k5u h THR 59 CO 0.85 0.46 -0.43 -0.08 -0.25 0.00 0.00 175.52 176.07 1k5u h GLU 60 N 0.00 0.29 0.00 4.72 4.57 -1.81 -3.39 114.58 118.96 1k5u h GLU 60 Ca -0.00 -0.31 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 1k5u h GLU 60 Cb 0.98 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1k5u h GLU 60 CO 0.06 1.01 -1.73 0.25 -1.18 0.00 0.00 179.01 177.42 1k5u n THR 61 N -4.36 0.11 -0.33 0.32 -2.24 -1.23 -4.99 114.28 101.56 1k5u n THR 61 Ca -0.10 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1k5u n THR 61 Cb 0.59 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1k5u n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5u n GLY 62 N 1.69 1.10 3.78 3.38 0.00 0.14 -5.02 105.19 110.26 1k5u n GLY 62 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1k5u n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k5u s GLN 63 N -0.46 3.74 -0.13 1.61 -0.21 -1.25 -4.61 119.66 118.35 1k5u s GLN 63 Ca 0.00 1.58 -0.09 0.00 0.02 0.00 0.00 55.36 56.87 1k5u s GLN 63 Cb 0.00 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 1k5u s GLN 63 CO 0.00 -0.52 0.18 0.71 -2.12 0.00 0.00 175.29 173.53 1k5u s TYR 64 N -1.73 3.56 0.35 0.91 1.51 0.18 -0.42 117.35 121.71 1k5u s TYR 64 Ca 0.66 0.54 -0.28 0.00 -1.01 0.00 0.00 57.07 56.98 1k5u s TYR 64 Cb -0.23 -2.05 -0.10 0.00 -0.11 0.00 0.00 41.96 39.47 1k5u s TYR 64 CO 0.28 0.60 1.34 -1.17 -1.11 0.00 0.00 175.55 175.49 1k5u s LEU 65 N -0.64 4.38 0.18 -1.29 2.96 0.31 0.15 118.68 124.73 1k5u s LEU 65 Ca 0.15 2.76 -0.11 0.00 -0.22 0.00 0.00 54.13 56.71 1k5u s LEU 65 Cb -0.12 -3.68 -0.00 0.00 0.50 0.00 0.00 46.19 42.88 1k5u s LEU 65 CO 0.04 -0.64 0.35 0.00 -1.32 0.00 0.00 176.35 174.78 1k5u s ALA 66 N -1.15 -0.14 -0.09 5.97 0.00 0.57 -4.39 121.76 122.52 1k5u s ALA 66 Ca 0.50 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 1k5u s ALA 66 Cb -0.41 0.91 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1k5u s ALA 66 CO 0.55 -0.70 -0.06 1.41 0.00 0.00 0.00 175.76 176.96 1k5u s MET 67 N -3.97 1.26 0.96 0.00 1.75 -1.02 -0.53 119.30 117.75 1k5u s MET 67 Ca 0.17 -0.17 -0.16 0.00 -1.25 0.00 0.00 55.69 54.29 1k5u s MET 67 Cb 0.02 -1.35 0.19 0.00 2.84 0.00 0.00 34.83 36.52 1k5u s MET 67 CO 0.01 -0.23 1.28 0.16 -0.65 0.00 0.00 175.02 175.59 1k5u s ASP 68 N 1.61 3.16 0.30 1.11 1.47 -0.54 -4.83 116.67 118.95 1k5u s ASP 68 Ca 0.02 0.40 0.23 0.00 1.18 0.00 0.00 52.55 54.38 1k5u s ASP 68 Cb -0.13 -0.55 1.10 0.00 -0.34 0.00 0.00 42.92 43.00 1k5u s ASP 68 CO -0.06 -2.72 1.70 0.35 0.68 0.00 0.00 175.17 175.13 1k5u n THR 69 N -3.78 0.92 1.04 2.11 -2.24 -1.26 -1.21 114.28 109.86 1k5u n THR 69 Ca 0.14 0.48 0.12 0.00 -2.27 0.00 0.00 64.05 62.52 1k5u n THR 69 Cb 0.60 -1.46 0.26 0.00 -2.10 0.00 0.00 70.33 67.63 1k5u n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k5u n ASP 70 N -2.28 0.61 0.00 3.42 8.00 -1.26 -4.94 116.55 120.11 1k5u n ASP 70 Ca 0.00 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.12 1k5u n ASP 70 Cb 0.13 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1k5u n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k5u n GLY 71 N 1.47 0.75 3.74 0.44 0.00 -0.35 -4.59 105.19 106.65 1k5u n GLY 71 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1k5u n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k5u s LEU 72 N 0.00 4.42 0.52 0.99 2.96 -1.26 -0.79 118.68 125.52 1k5u s LEU 72 Ca 0.00 1.41 -0.18 0.00 -0.22 0.00 0.00 54.13 55.14 1k5u s LEU 72 Cb 0.00 -3.22 -0.07 0.00 0.50 0.00 0.00 46.19 43.40 1k5u s LEU 72 CO 0.00 -0.02 1.04 -0.76 -1.32 0.00 0.00 176.35 175.29 1k5u s LEU 73 N 0.13 3.71 0.17 -0.68 1.43 -1.26 -1.47 118.68 120.70 1k5u s LEU 73 Ca 0.39 1.85 -0.21 0.00 -1.03 0.00 0.00 54.13 55.13 1k5u s LEU 73 Cb -0.20 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.53 1k5u s LEU 73 CO 0.22 -0.89 0.57 -0.72 0.23 0.00 0.00 176.35 175.77 1k5u s TYR 74 N -2.21 -0.43 -0.29 0.29 1.13 0.31 -4.30 117.35 111.84 1k5u s TYR 74 Ca 0.65 0.18 -0.20 0.00 -1.41 0.00 0.00 57.07 56.29 1k5u s TYR 74 Cb -0.15 0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 1k5u s TYR 74 CO 0.27 -0.86 0.60 0.20 -2.51 0.00 0.00 175.55 173.25 1k5u s GLY 75 N -2.78 1.79 -0.22 5.49 0.00 0.51 -0.31 107.32 111.81 1k5u s GLY 75 Ca 0.03 -0.63 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 1k5u s GLY 75 CO -0.11 1.41 0.19 -0.45 0.00 0.00 0.00 173.10 174.15 1k5u s SER 76 N 1.61 6.21 0.53 1.64 0.15 0.39 -4.67 113.70 119.55 1k5u s SER 76 Ca 0.24 0.22 0.30 0.00 0.70 0.00 0.00 55.95 57.42 1k5u s SER 76 Cb -0.15 -2.12 1.45 0.00 -1.71 0.00 0.00 66.02 63.49 1k5u s SER 76 CO 0.11 0.08 2.04 1.56 1.20 0.00 0.00 173.24 178.23 1k5u h GLN 77 N 7.21 0.00 -4.41 5.44 4.20 -1.91 0.51 115.11 126.14 1k5u h GLN 77 Ca -0.39 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 57.94 1k5u h GLN 77 Cb 1.16 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.64 1k5u h GLN 77 CO 0.70 0.10 -0.77 -0.08 -0.67 0.00 0.00 178.83 178.11 1k5u s THR 78 N -3.97 0.60 0.85 -0.54 -1.32 -1.26 -4.82 115.64 105.18 1k5u s THR 78 Ca -0.02 -0.27 -0.12 0.00 -1.21 0.00 0.00 61.69 60.07 1k5u s THR 78 Cb 0.12 -0.54 0.11 0.00 -1.51 0.00 0.00 72.50 70.67 1k5u s THR 78 CO 0.56 0.19 1.19 -2.16 -2.21 0.00 0.00 174.62 172.20 1k5u s PRO 79 N 0.18 1.37 0.03 7.08 0.05 -1.26 -4.87 135.00 137.58 1k5u s PRO 79 Ca -0.02 1.69 -0.15 0.00 0.05 0.00 0.00 61.00 62.57 1k5u s PRO 79 Cb -0.07 -1.75 0.05 0.00 0.05 0.00 0.00 34.50 32.78 1k5u s PRO 79 CO 0.00 -2.40 0.69 0.27 0.05 0.00 0.00 177.00 175.60 1k5u n ASN 80 N -3.68 -0.80 -0.07 6.66 0.23 -1.26 -4.98 115.26 111.37 1k5u n ASN 80 Ca 0.13 -1.28 0.03 0.00 -0.53 0.00 0.00 54.58 52.93 1k5u n ASN 80 Cb 0.51 1.27 0.36 0.00 -2.08 0.00 0.00 39.78 39.84 1k5u n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1k5u h GLU 81 N 0.00 0.68 0.00 -3.83 -0.00 -1.99 -0.14 114.58 109.31 1k5u h GLU 81 Ca -0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.18 1k5u h GLU 81 Cb 0.68 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 29.28 1k5u h GLU 81 CO 0.19 0.46 0.00 0.93 -0.00 0.00 0.00 179.01 180.59 1k5u h GLU 82 N 0.70 0.00 0.00 1.06 5.08 -1.95 -3.04 114.58 116.44 1k5u h GLU 82 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1k5u h GLU 82 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1k5u h GLU 82 CO -0.04 0.00 -0.24 0.00 -1.00 0.00 0.00 179.01 177.73 1k5u s LEU 84 N -3.55 4.56 -0.01 0.00 1.43 -1.15 -4.56 118.68 115.41 1k5u s LEU 84 Ca 0.11 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.94 1k5u s LEU 84 Cb 0.16 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1k5u s LEU 84 CO 0.62 0.11 -0.03 -0.36 0.23 0.00 0.00 176.35 176.92 1k5u s PHE 85 N -0.73 0.33 -0.44 0.29 0.40 -0.79 -1.39 117.98 115.66 1k5u s PHE 85 Ca 0.40 -0.05 -0.21 0.00 -0.60 0.00 0.00 56.93 56.46 1k5u s PHE 85 Cb -0.23 -0.25 0.02 0.00 0.51 0.00 0.00 43.02 43.07 1k5u s PHE 85 CO 0.28 -0.03 0.66 -0.51 0.70 0.00 0.00 175.22 176.32 1k5u s LEU 86 N 0.11 4.47 0.07 -0.37 1.02 0.10 -0.54 118.68 123.54 1k5u s LEU 86 Ca -0.01 -0.30 -0.26 0.00 0.02 0.00 0.00 54.13 53.58 1k5u s LEU 86 Cb -0.04 -2.75 -0.06 0.00 0.02 0.00 0.00 46.19 43.36 1k5u s LEU 86 CO -0.00 -0.79 0.82 -0.70 0.02 0.00 0.00 176.35 175.70 1k5u s GLU 87 N 2.86 4.56 -0.07 1.70 2.12 -0.09 -0.89 118.70 128.88 1k5u s GLU 87 Ca 0.23 1.17 0.00 0.00 0.36 0.00 0.00 54.97 56.74 1k5u s GLU 87 Cb -0.14 -3.36 0.02 0.00 0.26 0.00 0.00 34.13 30.92 1k5u s GLU 87 CO 0.19 0.29 -0.05 1.03 -0.54 0.00 0.00 175.26 176.18 1k5u s ARG 88 N -0.14 1.05 -0.41 4.30 1.81 0.54 -4.87 118.95 121.24 1k5u s ARG 88 Ca 0.40 -0.13 -0.26 0.00 -1.72 0.00 0.00 55.73 54.02 1k5u s ARG 88 Cb -0.21 -1.12 0.02 0.00 -0.45 0.00 0.00 34.95 33.18 1k5u s ARG 88 CO 0.25 -0.17 0.97 -0.51 -0.68 0.00 0.00 175.30 175.16 1k5u s LEU 89 N 1.34 3.93 0.52 2.53 1.43 -1.26 0.12 118.68 127.29 1k5u s LEU 89 Ca -0.04 0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1k5u s LEU 89 Cb -0.14 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1k5u s LEU 89 CO -0.03 -0.97 0.89 -1.61 0.23 0.00 0.00 176.35 174.86 1k5u s GLU 90 N 3.72 3.65 0.40 1.70 0.41 0.21 -4.99 118.70 123.81 1k5u s GLU 90 Ca 0.40 0.53 0.08 0.00 -0.41 0.00 0.00 54.97 55.57 1k5u s GLU 90 Cb -0.11 -2.25 0.82 0.00 -1.78 0.00 0.00 34.13 30.81 1k5u s GLU 90 CO 0.23 -0.31 1.98 1.05 -0.49 0.00 0.00 175.26 177.72 1k5u h GLU 91 N 0.31 0.39 0.00 1.61 9.09 -1.96 -2.39 114.58 121.63 1k5u h GLU 91 Ca -0.46 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 58.90 1k5u h GLU 91 Cb 1.19 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1k5u h GLU 91 CO 0.62 0.37 0.00 0.27 0.05 0.00 0.00 179.01 180.32 1k5u n ASN 92 N -4.38 0.00 0.00 3.06 0.23 -1.26 -4.88 115.26 108.04 1k5u n ASN 92 Ca 0.01 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 1k5u n ASN 92 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1k5u n ASN 92 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k5u n GLY 93 N 0.90 0.67 3.96 4.83 0.00 -0.90 -5.08 105.19 109.57 1k5u n GLY 93 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1k5u n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k5u s TYR 94 N -2.14 3.16 0.30 1.61 2.02 -1.26 -4.85 117.35 116.20 1k5u s TYR 94 Ca 0.00 0.11 0.07 0.00 -0.37 0.00 0.00 57.07 56.88 1k5u s TYR 94 Cb 0.00 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1k5u s TYR 94 CO 0.00 -0.34 0.24 -0.80 -1.57 0.00 0.00 175.55 173.08 1k5u s ASN 95 N -4.23 5.30 0.05 2.29 0.02 -0.25 0.68 114.94 118.81 1k5u s ASN 95 Ca 0.49 -0.43 0.02 0.00 -1.02 0.00 0.00 52.86 51.92 1k5u s ASN 95 Cb -0.10 -1.11 -0.03 0.00 0.02 0.00 0.00 41.25 40.04 1k5u s ASN 95 CO 0.36 -0.22 -0.08 0.42 0.02 0.00 0.00 177.10 177.60 1k5u s THR 96 N -2.25 0.57 -0.18 1.60 -4.23 0.33 -2.27 115.64 109.21 1k5u s THR 96 Ca 0.37 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1k5u s THR 96 Cb -0.06 -0.73 0.05 0.00 1.34 0.00 0.00 72.50 73.10 1k5u s THR 96 CO 0.25 -0.42 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.59 1k5u s TYR 97 N -1.60 1.43 -0.11 3.99 2.02 -1.26 0.20 117.35 122.03 1k5u s TYR 97 Ca -0.08 -1.03 -0.04 0.00 -0.37 0.00 0.00 57.07 55.56 1k5u s TYR 97 Cb -0.09 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1k5u s TYR 97 CO -0.00 -0.62 0.03 0.42 -1.57 0.00 0.00 175.55 173.81 1k5u s ILE 98 N 1.72 4.54 0.01 2.71 1.01 -0.07 -1.35 121.20 129.77 1k5u s ILE 98 Ca -0.01 -0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.18 1k5u s ILE 98 Cb -0.17 -2.95 -0.10 0.00 0.01 0.00 0.00 42.46 39.26 1k5u s ILE 98 CO -0.07 0.57 1.97 -0.24 0.00 0.00 0.00 174.94 177.17 1k5u n SER 99 N 2.48 4.01 -0.21 3.58 2.88 0.15 0.01 113.62 126.52 1k5u n SER 99 Ca -0.18 0.90 -0.07 0.00 -1.33 0.00 0.00 58.87 58.18 1k5u n SER 99 Cb 0.53 -1.50 0.03 0.00 -0.75 0.00 0.00 64.21 62.52 1k5u n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1k5u h LYS 100 N 10.44 0.86 0.00 -1.46 3.64 -1.55 0.46 116.57 128.96 1k5u h LYS 100 Ca -0.49 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 1k5u h LYS 100 Cb 1.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1k5u h LYS 100 CO 0.94 0.73 0.00 -0.22 -2.27 0.00 0.00 179.45 178.64 1k5u h LYS 101 N 0.80 0.00 0.00 1.90 3.64 -1.77 -2.92 116.57 118.22 1k5u h LYS 101 Ca 0.19 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1k5u h LYS 101 Cb 0.19 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1k5u h LYS 101 CO -0.02 0.00 -0.42 0.72 -2.27 0.00 0.00 179.45 177.47 1k5u n HIS 102 N -2.43 0.00 -0.13 1.91 8.25 -0.78 -4.89 115.22 117.15 1k5u n HIS 102 Ca 0.00 -0.54 -0.06 0.00 -0.26 0.00 0.00 57.72 56.86 1k5u n HIS 102 Cb 0.16 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1k5u n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k5u h ALA 103 N 0.24 -0.04 -1.29 -1.41 0.00 0.10 -0.63 119.26 116.23 1k5u h ALA 103 Ca -0.03 0.13 0.38 0.00 0.00 0.00 0.00 54.91 55.39 1k5u h ALA 103 Cb 1.30 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.67 1k5u h ALA 103 CO 0.01 -0.65 1.01 1.05 0.00 0.00 0.00 179.25 180.67 1k5u h GLU 104 N -0.19 0.00 -0.01 0.00 4.11 -1.86 2.21 114.58 118.84 1k5u h GLU 104 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1k5u h GLU 104 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1k5u h GLU 104 CO -0.55 0.00 -0.44 1.63 0.07 0.00 0.00 179.01 179.72 1k5u n LYS 105 N -3.95 0.76 -3.31 1.06 5.02 -0.27 -4.97 118.16 112.50 1k5u n LYS 105 Ca 0.28 -0.54 -0.18 0.00 -2.02 0.00 0.00 58.31 55.85 1k5u n LYS 105 Cb 1.42 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 35.00 1k5u n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1k5u n ASN 106 N -0.65 -5.11 -4.61 4.39 5.03 0.74 -4.95 115.26 110.11 1k5u n ASN 106 Ca 0.10 -0.41 -0.43 0.00 0.87 0.00 0.00 54.58 54.71 1k5u n ASN 106 Cb 0.38 -3.92 -0.03 0.00 -1.02 0.00 0.00 39.78 35.19 1k5u n ASN 106 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1k5u s TRP 107 N -3.24 2.99 0.37 3.10 0.52 -1.21 -4.80 118.94 116.67 1k5u s TRP 107 Ca 0.42 0.85 0.07 0.00 0.02 0.00 0.00 56.10 57.46 1k5u s TRP 107 Cb -0.18 -3.99 -0.01 0.00 -1.15 0.00 0.00 33.47 28.14 1k5u s TRP 107 CO 0.55 -1.00 0.46 -0.06 0.02 0.00 0.00 176.95 176.92 1k5u s PHE 108 N 3.93 2.94 -0.09 -1.98 0.08 -1.26 0.31 117.98 121.91 1k5u s PHE 108 Ca 0.44 -0.32 -0.23 0.00 0.12 0.00 0.00 56.93 56.94 1k5u s PHE 108 Cb -0.10 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 1k5u s PHE 108 CO 0.23 -0.12 0.68 0.08 -0.10 0.00 0.00 175.22 175.99 1k5u s VAL 109 N -2.28 5.05 0.10 -0.44 1.01 -0.46 -4.42 120.40 118.97 1k5u s VAL 109 Ca 0.48 1.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.62 1k5u s VAL 109 Cb -0.08 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1k5u s VAL 109 CO 0.31 0.24 0.52 -0.83 0.00 0.00 0.00 175.10 175.34 1k5u s GLY 110 N 0.83 -0.46 -0.01 4.51 0.00 -1.26 -4.43 107.32 106.50 1k5u s GLY 110 Ca 0.36 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.53 1k5u s GLY 110 CO 0.16 0.13 -0.07 1.08 0.00 0.00 0.00 173.10 174.40 1k5u s LEU 111 N -2.40 1.91 0.84 0.66 1.43 -0.56 -2.04 118.68 118.51 1k5u s LEU 111 Ca -0.01 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 1k5u s LEU 111 Cb -0.00 -0.40 0.10 0.00 0.03 0.00 0.00 46.19 45.91 1k5u s LEU 111 CO -0.08 0.07 1.12 -0.54 0.23 0.00 0.00 176.35 177.16 1k5u s LYS 112 N -0.01 1.73 0.60 1.70 1.02 0.28 -4.40 119.74 120.68 1k5u s LYS 112 Ca 0.00 0.42 0.32 0.00 0.02 0.00 0.00 55.97 56.74 1k5u s LYS 112 Cb -0.05 -1.90 1.92 0.00 -0.52 0.00 0.00 37.83 37.28 1k5u s LYS 112 CO -0.00 -1.82 2.27 0.87 -0.92 0.00 0.00 175.35 175.75 1k5u h LYS 113 N -1.22 0.00 -0.16 1.68 1.57 -1.88 0.04 116.57 116.60 1k5u h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1k5u h LYS 113 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1k5u h LYS 113 CO 0.61 0.01 0.00 0.27 -0.57 0.00 0.00 179.45 179.77 1k5u n ASN 114 N -3.70 1.40 0.00 0.86 0.23 -1.26 -4.63 115.26 108.16 1k5u n ASN 114 Ca -0.03 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.31 1k5u n ASN 114 Cb 0.09 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1k5u n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k5u n GLY 115 N 1.05 1.39 3.87 4.83 0.00 0.00 -4.95 105.19 111.38 1k5u n GLY 115 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1k5u n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k5u s SER 116 N -3.19 6.45 0.14 1.61 1.04 -1.26 0.12 113.70 118.61 1k5u s SER 116 Ca 0.00 1.32 -0.31 0.00 0.48 0.00 0.00 55.95 57.44 1k5u s SER 116 Cb 0.00 -2.41 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 1k5u s SER 116 CO 0.00 -0.60 1.46 0.00 0.98 0.00 0.00 173.24 175.07 1k5u s LYS 118 N 1.06 3.11 0.37 0.00 2.20 -0.87 -4.77 119.74 120.85 1k5u s LYS 118 Ca 0.66 -0.84 -0.25 0.00 -0.36 0.00 0.00 55.97 55.19 1k5u s LYS 118 Cb -0.40 -4.04 -0.12 0.00 -1.51 0.00 0.00 37.83 31.76 1k5u s LYS 118 CO 0.31 -1.03 0.82 0.54 -0.36 0.00 0.00 175.35 175.63 1k5u n ARG 119 N 5.85 0.99 -0.28 4.03 1.74 -1.26 -4.31 116.66 123.42 1k5u n ARG 119 Ca -0.07 0.36 0.07 0.00 -0.77 0.00 0.00 57.85 57.43 1k5u n ARG 119 Cb 0.46 -1.74 0.18 0.00 -1.02 0.00 0.00 32.46 30.34 1k5u n ARG 119 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1k5u h GLY 120 N 1.36 0.91 1.35 -0.13 0.00 -1.17 -0.74 103.07 104.65 1k5u h GLY 120 Ca -0.41 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1k5u h GLY 120 CO 0.56 -0.33 0.36 -0.56 0.00 0.00 0.00 176.54 176.57 1k5u h PRO 121 N 0.08 0.86 0.00 4.80 0.13 -1.85 -1.95 132.00 134.07 1k5u h PRO 121 Ca 0.45 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 1k5u h PRO 121 Cb 0.81 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1k5u h PRO 121 CO -0.73 0.61 0.00 0.54 -0.23 0.00 0.00 178.00 178.19 1k5u n ARG 122 N -4.40 0.11 -2.27 0.86 5.12 -0.32 -4.85 116.66 110.90 1k5u n ARG 122 Ca 0.06 0.15 -0.33 0.00 -1.93 0.00 0.00 57.85 55.81 1k5u n ARG 122 Cb 0.08 -1.64 -0.02 0.00 -1.16 0.00 0.00 32.46 29.72 1k5u n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1k5u s THR 123 N -3.07 4.17 -0.28 0.55 -4.23 -0.73 -4.98 115.64 107.07 1k5u s THR 123 Ca 0.11 1.06 -0.25 0.00 -1.18 0.00 0.00 61.69 61.44 1k5u s THR 123 Cb 0.14 -3.55 0.10 0.00 1.34 0.00 0.00 72.50 70.53 1k5u s THR 123 CO 0.50 -0.57 0.88 -1.38 -0.54 0.00 0.00 174.62 173.51 1k5u s HIS 124 N -2.50 -0.64 0.64 3.99 -3.43 -1.26 -4.91 115.29 107.18 1k5u s HIS 124 Ca 0.62 1.54 -0.18 0.00 -0.80 0.00 0.00 55.06 56.24 1k5u s HIS 124 Cb -0.13 0.33 -0.04 0.00 -1.43 0.00 0.00 32.58 31.31 1k5u s HIS 124 CO 0.32 -0.31 0.91 0.98 -2.00 0.00 0.00 174.74 174.64 1k5u n TYR 125 N 2.53 0.57 -0.08 0.38 4.19 -1.26 -1.23 117.16 122.26 1k5u n TYR 125 Ca -0.13 0.42 0.00 0.00 3.31 0.00 0.00 57.90 61.49 1k5u n TYR 125 Cb 0.56 -2.10 0.00 0.00 0.49 0.00 0.00 39.34 38.29 1k5u n TYR 125 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1k5u n GLY 126 N 1.32 1.42 3.88 2.98 0.00 -1.26 -5.02 105.19 108.50 1k5u n GLY 126 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1k5u n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k5u s GLN 127 N -0.49 3.77 0.01 1.61 -0.21 -0.37 -5.00 119.66 118.99 1k5u s GLN 127 Ca 0.00 0.30 -0.02 0.00 0.02 0.00 0.00 55.36 55.65 1k5u s GLN 127 Cb 0.00 -2.55 -0.27 0.00 1.00 0.00 0.00 33.01 31.19 1k5u s GLN 127 CO 0.00 0.17 0.89 0.87 -2.12 0.00 0.00 175.29 175.10 1k5u h LYS 128 N 1.89 0.23 -0.36 2.91 1.57 -1.96 -3.34 116.57 117.52 1k5u h LYS 128 Ca -0.47 -0.40 0.11 0.00 -1.87 0.00 0.00 60.65 58.01 1k5u h LYS 128 Cb 1.18 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1k5u h LYS 128 CO 0.66 1.10 0.49 0.00 -0.57 0.00 0.00 179.45 181.13 1k5u h ALA 129 N 0.54 2.02 0.00 3.86 0.00 -1.93 0.15 119.26 123.89 1k5u h ALA 129 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1k5u h ALA 129 Cb 2.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1k5u h ALA 129 CO 0.16 -0.67 -0.75 0.44 0.00 0.00 0.00 179.25 178.43 1k5u n ILE 130 N -3.49 0.10 -2.66 0.00 -5.35 -1.25 -1.50 119.36 105.20 1k5u n ILE 130 Ca 0.06 -0.11 -0.43 0.00 -0.27 0.00 0.00 62.75 62.01 1k5u n ILE 130 Cb 0.64 0.29 -0.02 0.00 -1.74 0.00 0.00 39.64 38.81 1k5u n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1k5u s LEU 131 N -3.45 4.19 0.12 7.28 1.43 0.54 -4.62 118.68 124.16 1k5u s LEU 131 Ca 0.08 1.49 0.07 0.00 -1.03 0.00 0.00 54.13 54.74 1k5u s LEU 131 Cb 0.16 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 1k5u s LEU 131 CO 0.76 -0.55 -0.18 -0.36 0.23 0.00 0.00 176.35 176.25 1k5u s PHE 132 N 2.52 1.62 -0.12 0.29 0.40 -0.96 -1.90 117.98 119.83 1k5u s PHE 132 Ca 0.47 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1k5u s PHE 132 Cb -0.17 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.52 1k5u s PHE 132 CO 0.13 0.20 -0.10 -1.17 0.70 0.00 0.00 175.22 174.98 1k5u s LEU 133 N -2.20 1.41 0.07 -0.37 2.96 0.19 -1.09 118.68 119.65 1k5u s LEU 133 Ca 0.08 -0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.34 1k5u s LEU 133 Cb -0.08 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 1k5u s LEU 133 CO 0.04 -0.08 0.93 -2.16 -1.32 0.00 0.00 176.35 173.77 1k5u s PRO 134 N 1.49 4.64 0.06 0.98 0.05 -1.25 0.04 135.00 141.01 1k5u s PRO 134 Ca 0.02 1.38 0.06 0.00 0.05 0.00 0.00 61.00 62.51 1k5u s PRO 134 Cb -0.13 -3.39 -0.03 0.00 0.05 0.00 0.00 34.50 31.00 1k5u s PRO 134 CO -0.07 0.17 -0.17 -0.51 0.05 0.00 0.00 177.00 176.47 1k5u s LEU 135 N 0.22 2.21 0.39 -3.56 1.43 0.11 -4.88 118.68 114.60 1k5u s LEU 135 Ca 0.47 -0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 1k5u s LEU 135 Cb -0.22 -0.71 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 1k5u s LEU 135 CO 0.28 0.04 1.31 -2.84 0.23 0.00 0.00 176.35 175.37 1k5u s PRO 136 N -1.40 4.05 0.11 1.29 0.02 -1.26 0.29 135.00 138.10 1k5u s PRO 136 Ca 0.03 2.17 -0.00 0.00 0.02 0.00 0.00 61.00 63.22 1k5u s PRO 136 Cb -0.09 -2.82 -0.19 0.00 0.02 0.00 0.00 34.50 31.42 1k5u s PRO 136 CO 0.02 -0.43 1.24 0.28 -0.33 0.00 0.00 177.00 177.78 1k5u h VAL 137 N 2.59 1.55 0.00 3.83 2.07 -1.91 -3.44 116.25 120.94 1k5u h VAL 137 Ca -0.49 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.00 1k5u h VAL 137 Cb 1.24 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1k5u h VAL 137 CO 0.63 0.88 0.00 -1.20 0.02 0.00 0.00 177.57 177.90