#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5g h HIS 23 N 0.00 -1.48 -1.33 1.20 6.17 -2.13 -3.40 115.15 114.17 1k5g h HIS 23 Ca 0.00 0.03 -0.21 0.00 0.71 0.00 0.00 60.37 60.90 1k5g h HIS 23 Cb 0.00 0.62 -0.22 0.00 2.52 0.00 0.00 27.41 30.32 1k5g h HIS 23 CO 0.00 -0.61 -0.57 0.34 0.71 0.00 0.00 177.93 177.79 1k5g s ASP 24 N -4.53 -0.66 0.13 3.26 2.15 -1.26 -5.14 116.67 110.62 1k5g s ASP 24 Ca -0.17 -1.57 -0.34 0.00 0.43 0.00 0.00 52.55 50.90 1k5g s ASP 24 Cb 0.05 1.40 -0.17 0.00 -0.30 0.00 0.00 42.92 43.91 1k5g s ASP 24 CO 0.59 -0.14 1.10 -2.65 -0.17 0.00 0.00 175.17 173.90 1k5g n PRO 25 N 3.62 0.78 -4.25 4.34 -0.02 -1.26 -4.95 135.00 133.25 1k5g n PRO 25 Ca 0.16 0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 1k5g n PRO 25 Cb 0.53 -1.74 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 1k5g n PRO 25 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1k5g s GLN 26 N -0.24 3.69 -0.02 -0.52 2.00 -1.26 -5.10 119.66 118.21 1k5g s GLN 26 Ca 0.78 -0.50 0.03 0.00 -2.00 0.00 0.00 55.36 53.66 1k5g s GLN 26 Cb -0.96 -3.00 -0.00 0.00 0.80 0.00 0.00 33.01 29.85 1k5g s GLN 26 CO 0.53 0.17 -0.09 -0.06 -0.50 0.00 0.00 175.29 175.34 1k5g s PHE 27 N 0.57 0.87 -0.32 1.67 0.40 -1.26 -5.11 117.98 114.80 1k5g s PHE 27 Ca -0.02 -0.19 -0.27 0.00 -0.60 0.00 0.00 56.93 55.85 1k5g s PHE 27 Cb -0.14 -0.60 0.01 0.00 0.51 0.00 0.00 43.02 42.80 1k5g s PHE 27 CO 0.02 -0.06 0.98 -1.83 0.70 0.00 0.00 175.22 175.03 1k5g s GLU 28 N 0.02 4.02 0.08 0.44 -1.05 -1.26 -4.96 118.70 116.00 1k5g s GLU 28 Ca -0.00 0.90 -0.13 0.00 -0.15 0.00 0.00 54.97 55.59 1k5g s GLU 28 Cb -0.06 -3.74 -0.08 0.00 -0.44 0.00 0.00 34.13 29.81 1k5g s GLU 28 CO 0.00 -0.83 0.25 -2.30 0.95 0.00 0.00 175.26 173.33 1k5g n PRO 29 N 6.65 0.00 0.01 -4.83 -0.02 -1.26 -4.92 135.00 130.63 1k5g n PRO 29 Ca 0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.51 1k5g n PRO 29 Cb 0.47 -0.47 -0.12 0.00 -0.02 0.00 0.00 33.50 33.37 1k5g n PRO 29 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1k5g h ILE 30 N 0.53 0.91 -4.40 4.25 2.04 -2.08 -3.48 117.51 115.28 1k5g h ILE 30 Ca -0.13 -2.63 -0.23 0.00 1.00 0.00 0.00 64.86 62.86 1k5g h ILE 30 Cb 0.64 2.40 -0.15 0.00 -0.74 0.00 0.00 36.82 38.97 1k5g h ILE 30 CO 0.26 0.52 -0.63 0.68 0.00 0.00 0.00 178.15 178.97 1k5g s VAL 31 N -2.71 0.13 -0.30 1.67 -7.23 -1.26 -5.13 120.40 105.58 1k5g s VAL 31 Ca -0.03 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1k5g s VAL 31 Cb 0.08 -2.28 0.08 0.00 0.56 0.00 0.00 36.38 34.83 1k5g s VAL 31 CO 0.82 -0.24 0.00 -0.55 -0.31 0.00 0.00 175.10 174.82 1k5g s SER 32 N -3.12 4.40 -0.24 4.85 0.15 -1.26 -5.10 113.70 113.38 1k5g s SER 32 Ca 0.31 -1.71 -0.03 0.00 0.70 0.00 0.00 55.95 55.22 1k5g s SER 32 Cb 0.07 -1.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.98 1k5g s SER 32 CO 0.07 -0.31 -0.04 -0.76 1.20 0.00 0.00 173.24 173.39 1k5g s LEU 33 N 1.15 3.10 0.50 3.45 1.43 -1.26 -5.10 118.68 121.95 1k5g s LEU 33 Ca 0.03 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 1k5g s LEU 33 Cb -0.19 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.26 1k5g s LEU 33 CO -0.09 -0.09 1.38 -2.65 0.23 0.00 0.00 176.35 175.12 1k5g n PRO 34 N 4.74 1.93 -1.51 1.29 -0.02 -1.26 -4.95 135.00 135.22 1k5g n PRO 34 Ca -0.17 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 1k5g n PRO 34 Cb 0.49 -2.58 0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1k5g n PRO 34 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1k5g n GLU 35 N -0.58 0.70 -3.75 -0.52 4.07 -1.26 -5.00 120.64 114.30 1k5g n GLU 35 Ca 0.08 0.28 -0.13 0.00 -0.06 0.00 0.00 57.16 57.33 1k5g n GLU 35 Cb 0.43 -2.13 -0.09 0.00 -0.06 0.00 0.00 31.44 29.59 1k5g n GLU 35 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1k5g s GLN 36 N -2.91 0.63 -0.43 5.31 0.74 -1.26 -5.11 119.66 116.63 1k5g s GLN 36 Ca 0.74 -0.05 -0.17 0.00 0.05 0.00 0.00 55.36 55.93 1k5g s GLN 36 Cb -0.39 0.28 0.03 0.00 1.10 0.00 0.00 33.01 34.03 1k5g s GLN 36 CO 0.49 -0.16 0.43 -1.21 -0.55 0.00 0.00 175.29 174.28 1k5g s GLU 37 N -1.04 3.07 -0.26 1.67 2.02 -1.26 -5.04 118.70 117.86 1k5g s GLU 37 Ca -0.11 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 53.89 1k5g s GLU 37 Cb -0.05 -3.99 -0.03 0.00 0.10 0.00 0.00 34.13 30.16 1k5g s GLU 37 CO 0.04 -0.87 0.42 0.96 0.02 0.00 0.00 175.26 175.82 1k5g s ILE 38 N 2.08 5.15 0.72 -1.63 -5.25 -1.26 -5.08 121.20 115.93 1k5g s ILE 38 Ca 0.11 0.67 -0.09 0.00 -0.99 0.00 0.00 60.65 60.36 1k5g s ILE 38 Cb -0.18 -3.74 0.06 0.00 2.95 0.00 0.00 42.46 41.55 1k5g s ILE 38 CO 0.13 0.14 1.06 -0.54 -1.79 0.00 0.00 174.94 173.94 1k5g s LYS 39 N 2.08 2.25 -0.00 0.37 -0.14 -1.26 -5.02 119.74 118.02 1k5g s LYS 39 Ca 0.17 -0.07 0.08 0.00 -1.36 0.00 0.00 55.97 54.79 1k5g s LYS 39 Cb -0.16 -2.10 -0.09 0.00 -1.68 0.00 0.00 37.83 33.80 1k5g s LYS 39 CO 0.10 -1.28 0.27 2.41 -0.76 0.00 0.00 175.35 176.09 1k5g n THR 40 N -3.01 0.00 -2.21 2.17 -1.04 -1.26 -4.95 114.28 103.98 1k5g n THR 40 Ca 0.08 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.05 61.60 1k5g n THR 40 Cb 0.60 0.78 -0.03 0.00 -1.82 0.00 0.00 70.33 69.87 1k5g n THR 40 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k5g n LEU 41 N -1.37 -1.84 -0.12 -4.42 4.32 -1.26 -4.76 117.00 107.56 1k5g n LEU 41 Ca 0.01 0.11 0.03 0.00 -0.02 0.00 0.00 56.01 56.14 1k5g n LEU 41 Cb 0.14 -2.92 0.04 0.00 -1.62 0.00 0.00 43.42 39.07 1k5g n LEU 41 CO 0.16 -0.43 0.41 1.21 -1.22 0.00 0.00 177.39 177.52 1k5g n GLU 42 N -2.86 1.25 0.04 3.23 2.13 -1.26 -4.80 120.64 118.36 1k5g n GLU 42 Ca -0.24 -1.48 -0.18 0.00 0.66 0.00 0.00 57.16 55.92 1k5g n GLU 42 Cb 0.69 -0.93 -0.08 0.00 0.27 0.00 0.00 31.44 31.39 1k5g n GLU 42 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k5g h GLU 43 N 0.00 0.63 -1.06 5.31 3.07 -2.00 -3.10 114.58 117.43 1k5g h GLU 43 Ca 0.00 -0.65 -0.17 0.00 -0.50 0.00 0.00 59.36 58.03 1k5g h GLU 43 Cb 0.93 0.18 -0.10 0.00 -0.84 0.00 0.00 28.75 28.92 1k5g h GLU 43 CO 0.00 1.25 0.22 -0.25 -1.40 0.00 0.00 179.01 178.83 1k5g n ASP 44 N -3.84 3.50 0.00 1.42 8.00 -1.26 -4.82 116.55 119.55 1k5g n ASP 44 Ca -0.09 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.86 1k5g n ASP 44 Cb 0.85 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1k5g n ASP 44 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1k5g n GLU 45 N 0.03 0.16 0.00 -1.24 0.28 -1.17 -3.16 120.64 115.54 1k5g n GLU 45 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1k5g n GLU 45 Cb 0.85 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.72 1k5g n GLU 45 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1k5g n GLU 46 N 0.00 0.00 -2.89 3.44 -0.58 -1.25 -3.59 120.64 115.77 1k5g n GLU 46 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1k5g n GLU 46 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1k5g n GLU 46 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1k5g n GLU 47 N 0.00 -1.22 0.08 3.49 2.13 -1.24 -4.96 120.64 118.93 1k5g n GLU 47 Ca 0.00 1.35 -0.13 0.00 0.66 0.00 0.00 57.16 59.04 1k5g n GLU 47 Cb 0.00 -5.29 -0.08 0.00 0.27 0.00 0.00 31.44 26.34 1k5g n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1k5g h LEU 48 N 0.33 -0.16 -8.72 4.31 3.38 -1.35 -3.45 115.31 109.65 1k5g h LEU 48 Ca -0.03 -0.20 -0.67 0.00 0.09 0.00 0.00 57.88 57.06 1k5g h LEU 48 Cb 1.02 0.04 -0.26 0.00 0.09 0.00 0.00 40.66 41.55 1k5g h LEU 48 CO 0.27 0.12 -0.87 0.12 0.09 0.00 0.00 178.44 178.17 1k5g s PHE 49 N -5.10 2.23 -0.18 1.13 5.36 -1.23 -4.97 117.98 115.21 1k5g s PHE 49 Ca -0.15 -0.40 -0.06 0.00 -0.96 0.00 0.00 56.93 55.36 1k5g s PHE 49 Cb 0.03 -1.32 0.08 0.00 -0.34 0.00 0.00 43.02 41.47 1k5g s PHE 49 CO 0.63 0.14 0.37 0.21 -1.46 0.00 0.00 175.22 175.10 1k5g s LYS 50 N -1.29 0.27 -0.25 10.12 2.20 -1.26 -1.61 119.74 127.91 1k5g s LYS 50 Ca 0.11 0.93 -0.26 0.00 -0.36 0.00 0.00 55.97 56.39 1k5g s LYS 50 Cb -0.10 0.19 0.09 0.00 -1.51 0.00 0.00 37.83 36.50 1k5g s LYS 50 CO 0.02 -0.28 0.83 1.41 -0.36 0.00 0.00 175.35 176.98 1k5g s MET 51 N 2.55 0.73 0.30 4.03 1.75 -0.92 -4.97 119.30 122.78 1k5g s MET 51 Ca -0.00 0.78 -0.25 0.00 -1.25 0.00 0.00 55.69 54.96 1k5g s MET 51 Cb -0.12 0.36 -0.10 0.00 2.84 0.00 0.00 34.83 37.81 1k5g s MET 51 CO -0.11 -0.11 0.91 -0.98 -0.65 0.00 0.00 175.02 174.08 1k5g s ARG 52 N 0.16 4.53 0.08 4.11 1.70 -1.26 0.14 118.95 128.41 1k5g s ARG 52 Ca 0.00 1.25 -0.27 0.00 -0.47 0.00 0.00 55.73 56.25 1k5g s ARG 52 Cb -0.04 -2.83 0.08 0.00 -0.57 0.00 0.00 34.95 31.59 1k5g s ARG 52 CO -0.01 0.31 0.91 0.00 -1.08 0.00 0.00 175.30 175.43 1k5g s ALA 53 N -1.59 -1.73 -0.21 7.88 0.00 0.94 -4.61 121.76 122.44 1k5g s ALA 53 Ca 0.49 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 1k5g s ALA 53 Cb -0.18 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 1k5g s ALA 53 CO 0.23 -0.87 0.26 0.21 0.00 0.00 0.00 175.76 175.59 1k5g s LYS 54 N -3.23 4.14 -0.07 0.00 2.20 -0.79 -1.77 119.74 120.21 1k5g s LYS 54 Ca 0.09 -0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 55.61 1k5g s LYS 54 Cb -0.01 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1k5g s LYS 54 CO -0.03 0.07 0.06 -1.17 -0.36 0.00 0.00 175.35 173.91 1k5g s LEU 55 N 1.01 3.88 0.14 5.43 2.96 0.18 -1.16 118.68 131.12 1k5g s LEU 55 Ca 0.13 0.23 0.10 0.00 -0.22 0.00 0.00 54.13 54.37 1k5g s LEU 55 Cb -0.14 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1k5g s LEU 55 CO 0.05 0.36 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.83 1k5g s PHE 56 N -1.00 2.16 0.22 5.38 0.40 0.91 -0.28 117.98 125.76 1k5g s PHE 56 Ca 0.16 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 1k5g s PHE 56 Cb -0.12 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 1k5g s PHE 56 CO 0.06 0.34 0.10 0.50 0.70 0.00 0.00 175.22 176.92 1k5g s ARG 57 N -2.17 2.68 -0.21 0.44 3.00 0.16 -2.57 118.95 120.27 1k5g s ARG 57 Ca 0.13 -1.11 -0.04 0.00 -1.00 0.00 0.00 55.73 53.72 1k5g s ARG 57 Cb -0.09 -2.45 -0.01 0.00 0.00 0.00 0.00 34.95 32.40 1k5g s ARG 57 CO 0.06 0.42 -0.05 0.12 0.00 0.00 0.00 175.30 175.85 1k5g s PHE 58 N -2.03 2.95 0.00 5.12 2.19 -1.01 -1.64 117.98 123.56 1k5g s PHE 58 Ca 0.31 -0.95 0.00 0.00 0.33 0.00 0.00 56.93 56.62 1k5g s PHE 58 Cb -0.08 -2.09 0.00 0.00 -1.31 0.00 0.00 43.02 39.54 1k5g s PHE 58 CO 0.22 -0.54 0.00 0.00 1.83 0.00 0.00 175.22 176.73 1k5g n ALA 59 N 4.73 0.00 0.00 11.12 0.00 0.34 -4.85 120.51 131.86 1k5g n ALA 59 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1k5g n ALA 59 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1k5g n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k5g n SER 60 N 0.00 0.00 -3.60 0.00 2.88 -1.26 -4.58 113.62 107.05 1k5g n SER 60 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1k5g n SER 60 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k5g n SER 60 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1k5g n GLU 61 N 0.00 4.28 0.00 -1.46 4.07 -1.26 -4.22 120.64 122.05 1k5g n GLU 61 Ca 0.00 -3.47 0.00 0.00 -0.06 0.00 0.00 57.16 53.63 1k5g n GLU 61 Cb 0.00 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 28.66 1k5g n GLU 61 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1k5g n ASN 62 N 2.42 0.51 0.00 4.31 4.13 -1.26 -4.97 115.26 120.40 1k5g n ASN 62 Ca 0.55 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 56.05 1k5g n ASN 62 Cb 0.28 0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.97 1k5g n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1k5g n ASP 63 N -0.44 0.00 -4.10 6.41 9.92 -1.26 -4.82 116.55 122.26 1k5g n ASP 63 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 1k5g n ASP 63 Cb 0.01 -1.40 -0.10 0.00 -0.64 0.00 0.00 41.12 38.99 1k5g n ASP 63 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1k5g s LEU 64 N 0.00 5.24 -0.83 0.64 1.02 -1.26 -5.03 118.68 118.46 1k5g s LEU 64 Ca 0.00 -2.80 -0.20 0.00 0.02 0.00 0.00 54.13 51.14 1k5g s LEU 64 Cb 0.00 -1.85 -0.19 0.00 0.02 0.00 0.00 46.19 44.17 1k5g s LEU 64 CO 0.00 -0.38 2.17 -2.65 0.02 0.00 0.00 176.35 175.51 1k5g n PRO 65 N 3.56 0.29 -4.41 1.29 -0.02 -1.26 -4.77 135.00 129.68 1k5g n PRO 65 Ca 0.07 -0.80 -0.23 0.00 -2.02 0.00 0.00 63.50 60.52 1k5g n PRO 65 Cb 0.38 -2.98 -0.10 0.00 -0.02 0.00 0.00 33.50 30.77 1k5g n PRO 65 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1k5g s GLU 66 N 8.11 1.51 -0.38 -0.52 2.02 -1.26 -4.94 118.70 123.24 1k5g s GLU 66 Ca 0.90 -1.63 -0.13 0.00 0.02 0.00 0.00 54.97 54.12 1k5g s GLU 66 Cb -0.24 -1.57 0.01 0.00 0.10 0.00 0.00 34.13 32.43 1k5g s GLU 66 CO 0.19 0.30 0.26 -1.58 0.02 0.00 0.00 175.26 174.46 1k5g s TRP 67 N -2.39 3.23 -0.16 1.61 0.52 -1.26 0.13 118.94 120.63 1k5g s TRP 67 Ca 0.24 -0.55 -0.14 0.00 0.02 0.00 0.00 56.10 55.68 1k5g s TRP 67 Cb -0.05 -2.52 -0.05 0.00 -1.15 0.00 0.00 33.47 29.70 1k5g s TRP 67 CO 0.11 -0.53 0.30 0.15 0.02 0.00 0.00 176.95 176.99 1k5g s LYS 68 N 1.67 4.23 0.58 4.98 1.02 -0.65 -4.92 119.74 126.65 1k5g s LYS 68 Ca 0.05 0.10 -0.20 0.00 0.02 0.00 0.00 55.97 55.94 1k5g s LYS 68 Cb -0.18 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1k5g s LYS 68 CO 0.09 0.26 1.17 0.39 -0.92 0.00 0.00 175.35 176.35 1k5g n GLU 69 N 3.51 1.26 0.00 1.68 1.02 -1.26 0.37 120.64 127.22 1k5g n GLU 69 Ca -0.12 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1k5g n GLU 69 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 1k5g n GLU 69 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1k5g n ARG 70 N -1.09 2.19 0.00 3.49 3.00 0.61 -4.60 116.66 120.26 1k5g n ARG 70 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1k5g n ARG 70 Cb 0.46 -0.99 0.00 0.00 0.00 0.00 0.00 32.46 31.92 1k5g n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k5g n GLY 71 N 3.20 1.27 2.81 5.14 0.00 -0.91 -4.85 105.19 111.84 1k5g n GLY 71 Ca 0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 1k5g n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k5g s THR 72 N -2.00 0.82 0.00 2.61 2.01 -1.26 0.47 115.64 118.29 1k5g s THR 72 Ca 0.00 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1k5g s THR 72 Cb 0.00 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.33 1k5g s THR 72 CO 0.00 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1k5g n GLY 73 N 4.95 1.00 3.67 4.40 0.00 -0.73 -1.81 105.19 116.67 1k5g n GLY 73 Ca -0.10 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1k5g n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k5g s ASP 74 N 0.41 7.11 0.17 1.61 -0.00 -1.24 -0.04 116.67 124.70 1k5g s ASP 74 Ca 0.00 1.38 -0.16 0.00 -0.00 0.00 0.00 52.55 53.77 1k5g s ASP 74 Cb 0.00 -2.53 -0.07 0.00 -0.00 0.00 0.00 42.92 40.32 1k5g s ASP 74 CO 0.00 -0.55 0.61 -0.69 -0.00 0.00 0.00 175.17 174.53 1k5g s VAL 75 N 2.65 4.76 0.01 -1.27 1.01 0.12 -3.66 120.40 124.01 1k5g s VAL 75 Ca 0.44 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1k5g s VAL 75 Cb -0.16 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1k5g s VAL 75 CO 0.11 0.24 -0.02 -0.54 0.00 0.00 0.00 175.10 174.89 1k5g s LYS 76 N -1.94 0.17 -0.20 2.72 1.02 -0.70 -2.16 119.74 118.65 1k5g s LYS 76 Ca 0.39 -0.22 -0.04 0.00 0.02 0.00 0.00 55.97 56.12 1k5g s LYS 76 Cb -0.16 -0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.09 1k5g s LYS 76 CO 0.20 0.01 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.08 1k5g s LEU 77 N -0.47 2.97 -0.04 3.17 1.43 -0.63 -0.80 118.68 124.31 1k5g s LEU 77 Ca -0.04 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1k5g s LEU 77 Cb -0.03 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1k5g s LEU 77 CO -0.00 0.03 -0.20 -0.76 0.23 0.00 0.00 176.35 175.65 1k5g s LEU 78 N 1.16 1.98 0.10 1.79 1.43 -0.01 -0.78 118.68 124.35 1k5g s LEU 78 Ca 0.02 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1k5g s LEU 78 Cb -0.14 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1k5g s LEU 78 CO -0.01 0.20 -0.13 -0.75 0.23 0.00 0.00 176.35 175.89 1k5g s LYS 79 N -0.13 2.04 -0.25 1.70 2.20 -1.26 0.12 119.74 124.16 1k5g s LYS 79 Ca -0.01 -1.05 -0.17 0.00 -0.36 0.00 0.00 55.97 54.38 1k5g s LYS 79 Cb -0.11 -2.25 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 1k5g s LYS 79 CO 0.02 0.51 0.46 -1.58 -0.36 0.00 0.00 175.35 174.39 1k5g s HIS 80 N -1.15 3.28 0.11 4.03 5.65 0.91 -3.79 115.29 124.34 1k5g s HIS 80 Ca 0.19 0.57 -0.32 0.00 0.25 0.00 0.00 55.06 55.76 1k5g s HIS 80 Cb -0.11 -2.65 -0.10 0.00 -1.18 0.00 0.00 32.58 28.54 1k5g s HIS 80 CO 0.11 -0.22 1.58 0.87 -0.65 0.00 0.00 174.74 176.43 1k5g h LYS 81 N 7.94 -0.62 0.00 2.88 1.57 -1.60 -3.15 116.57 123.59 1k5g h LYS 81 Ca -0.31 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1k5g h LYS 81 Cb 1.15 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1k5g h LYS 81 CO 0.69 -0.42 0.00 0.39 -0.57 0.00 0.00 179.45 179.55 1k5g n GLU 82 N -5.47 0.00 0.00 3.15 -0.58 -1.26 -4.74 120.64 111.74 1k5g n GLU 82 Ca -0.07 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1k5g n GLU 82 Cb 0.39 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 1k5g n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1k5g n LYS 83 N -1.69 2.29 0.00 3.49 5.02 -1.19 -5.06 118.16 121.02 1k5g n LYS 83 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k5g n LYS 83 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1k5g n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k5g n GLY 84 N 5.00 0.00 0.13 0.72 0.00 -1.21 -4.66 105.19 105.16 1k5g n GLY 84 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1k5g n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k5g n ALA 85 N -1.73 -0.78 -2.96 4.61 0.00 -1.26 -2.91 120.51 115.48 1k5g n ALA 85 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 1k5g n ALA 85 Cb 0.15 -0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.38 1k5g n ALA 85 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k5g s ILE 86 N -0.01 1.33 0.27 0.00 1.01 -1.25 -0.06 121.20 122.48 1k5g s ILE 86 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1k5g s ILE 86 Cb -0.04 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1k5g s ILE 86 CO 0.02 0.39 0.09 0.00 0.00 0.00 0.00 174.94 175.44 1k5g s ARG 87 N 0.10 1.45 -0.15 2.79 1.70 0.12 -0.54 118.95 124.41 1k5g s ARG 87 Ca -0.04 -1.79 -0.04 0.00 -0.47 0.00 0.00 55.73 53.39 1k5g s ARG 87 Cb -0.11 -0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 33.87 1k5g s ARG 87 CO 0.02 -0.27 -0.02 -1.17 -1.08 0.00 0.00 175.30 172.78 1k5g s LEU 88 N -3.34 3.36 -0.12 -1.89 0.20 0.68 -0.83 118.68 116.74 1k5g s LEU 88 Ca 0.37 -0.07 -0.03 0.00 0.69 0.00 0.00 54.13 55.09 1k5g s LEU 88 Cb 0.08 -1.81 0.04 0.00 -0.43 0.00 0.00 46.19 44.07 1k5g s LEU 88 CO 0.14 0.19 0.05 -0.22 -0.29 0.00 0.00 176.35 176.22 1k5g s LEU 89 N 0.23 0.49 0.06 -0.68 2.96 0.02 -1.97 118.68 119.79 1k5g s LEU 89 Ca -0.01 -0.34 0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1k5g s LEU 89 Cb -0.14 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.20 1k5g s LEU 89 CO 0.02 -0.28 -0.22 -0.32 -1.32 0.00 0.00 176.35 174.23 1k5g s MET 90 N 2.06 1.86 0.00 1.98 1.75 0.49 -1.72 119.30 125.72 1k5g s MET 90 Ca 0.03 -1.09 0.04 0.00 -1.25 0.00 0.00 55.69 53.42 1k5g s MET 90 Cb -0.14 -2.07 -0.01 0.00 2.84 0.00 0.00 34.83 35.45 1k5g s MET 90 CO -0.06 0.51 -0.13 1.03 -0.65 0.00 0.00 175.02 175.72 1k5g s ARG 91 N -1.51 1.01 0.51 4.11 0.52 -1.24 -0.68 118.95 121.67 1k5g s ARG 91 Ca 0.14 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.66 1k5g s ARG 91 Cb -0.10 -0.98 -0.08 0.00 0.52 0.00 0.00 34.95 34.30 1k5g s ARG 91 CO 0.05 0.26 0.97 1.03 0.02 0.00 0.00 175.30 177.63 1k5g s ARG 92 N -0.49 3.95 0.77 3.54 0.52 -0.40 -3.64 118.95 123.20 1k5g s ARG 92 Ca 0.04 0.93 -0.13 0.00 -0.52 0.00 0.00 55.73 56.05 1k5g s ARG 92 Cb -0.06 -2.15 0.06 0.00 0.52 0.00 0.00 34.95 33.33 1k5g s ARG 92 CO -0.00 -0.25 1.17 -0.51 0.02 0.00 0.00 175.30 175.73 1k5g s ASP 93 N -3.04 4.00 0.00 0.23 -0.00 -0.75 -1.06 116.67 116.04 1k5g s ASP 93 Ca 0.59 2.23 0.00 0.00 -0.00 0.00 0.00 52.55 55.36 1k5g s ASP 93 Cb -0.10 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 1k5g s ASP 93 CO 0.31 -2.39 0.00 0.29 -0.00 0.00 0.00 175.17 173.38 1k5g n LYS 94 N -3.14 0.00 0.06 8.23 4.01 -1.26 -3.78 118.16 122.28 1k5g n LYS 94 Ca 0.12 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.87 1k5g n LYS 94 Cb 0.51 0.00 0.13 0.00 -0.51 0.00 0.00 35.03 35.16 1k5g n LYS 94 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k5g h THR 95 N 0.00 1.35 0.00 -0.18 1.03 -2.00 -3.47 112.91 109.64 1k5g h THR 95 Ca 0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 66.41 64.61 1k5g h THR 95 Cb 0.00 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 1k5g h THR 95 CO 0.00 0.54 0.00 0.18 -0.01 0.00 0.00 175.52 176.23 1k5g n LEU 96 N -3.94 0.63 -4.76 0.00 4.32 -0.23 -4.98 117.00 108.03 1k5g n LEU 96 Ca -0.02 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.61 1k5g n LEU 96 Cb 0.57 -1.57 0.02 0.00 -1.62 0.00 0.00 43.42 40.82 1k5g n LEU 96 CO 0.44 -0.56 0.84 -0.54 -1.22 0.00 0.00 177.39 176.36 1k5g s LYS 97 N -1.11 3.24 -0.04 3.23 -0.14 -1.26 -4.54 119.74 119.12 1k5g s LYS 97 Ca 0.00 1.82 -0.30 0.00 -1.36 0.00 0.00 55.97 56.13 1k5g s LYS 97 Cb 0.00 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 1k5g s LYS 97 CO 0.00 -0.99 1.29 0.42 -0.76 0.00 0.00 175.35 175.31 1k5g s ILE 98 N -1.59 4.03 -1.08 2.17 1.01 -1.26 -1.27 121.20 123.21 1k5g s ILE 98 Ca 0.73 1.37 0.10 0.00 0.00 0.00 0.00 60.65 62.85 1k5g s ILE 98 Cb -0.30 -3.88 0.20 0.00 0.01 0.00 0.00 42.46 38.49 1k5g s ILE 98 CO 0.34 -0.01 1.07 0.00 0.00 0.00 0.00 174.94 176.33 1k5g s ALA 100 N -0.95 -2.66 -0.41 0.00 0.00 -1.23 -4.85 121.76 111.66 1k5g s ALA 100 Ca 0.18 2.01 0.05 0.00 0.00 0.00 0.00 51.96 54.20 1k5g s ALA 100 Cb 0.10 -1.97 0.18 0.00 0.00 0.00 0.00 23.12 21.44 1k5g s ALA 100 CO 0.14 -0.42 0.73 1.21 0.00 0.00 0.00 175.76 177.42 1k5g s ASN 101 N 1.27 -1.29 0.09 0.00 2.47 -1.23 -0.38 114.94 115.87 1k5g s ASN 101 Ca -0.07 -0.80 -0.05 0.00 0.42 0.00 0.00 52.86 52.36 1k5g s ASN 101 Cb -0.02 1.66 -0.02 0.00 -1.45 0.00 0.00 41.25 41.41 1k5g s ASN 101 CO -0.12 -0.13 0.10 -1.38 -3.72 0.00 0.00 177.10 171.85 1k5g s HIS 102 N 1.71 0.42 0.55 0.43 -3.43 -0.83 -1.31 115.29 112.82 1k5g s HIS 102 Ca 0.18 -0.88 -0.13 0.00 -0.80 0.00 0.00 55.06 53.43 1k5g s HIS 102 Cb -0.02 -0.24 -0.06 0.00 -1.43 0.00 0.00 32.58 30.83 1k5g s HIS 102 CO -0.08 -0.50 0.97 0.71 -2.00 0.00 0.00 174.74 173.84 1k5g s TYR 103 N -3.92 3.54 -0.25 0.38 2.02 -1.26 -0.23 117.35 117.62 1k5g s TYR 103 Ca 0.10 1.30 -0.14 0.00 -0.37 0.00 0.00 57.07 57.96 1k5g s TYR 103 Cb 0.06 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1k5g s TYR 103 CO -0.08 -0.47 0.31 0.42 -1.57 0.00 0.00 175.55 174.16 1k5g s ILE 104 N -2.85 5.24 0.45 2.71 1.01 0.30 -4.82 121.20 123.23 1k5g s ILE 104 Ca 0.56 0.45 0.08 0.00 0.00 0.00 0.00 60.65 61.74 1k5g s ILE 104 Cb -0.10 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1k5g s ILE 104 CO 0.42 0.23 0.57 0.42 0.00 0.00 0.00 174.94 176.58 1k5g s THR 105 N 1.69 2.74 0.08 2.92 -4.23 -1.26 -4.79 115.64 112.79 1k5g s THR 105 Ca 0.13 -1.08 -0.28 0.00 -1.18 0.00 0.00 61.69 59.28 1k5g s THR 105 Cb -0.15 -2.82 -0.16 0.00 1.34 0.00 0.00 72.50 70.71 1k5g s THR 105 CO 0.09 0.00 1.68 -0.65 -0.54 0.00 0.00 174.62 175.20 1k5g h PRO 106 N 0.63 -0.45 -4.36 3.99 0.11 -1.90 -3.29 132.00 126.72 1k5g h PRO 106 Ca -0.38 0.03 -0.71 0.00 0.11 0.00 0.00 66.00 65.05 1k5g h PRO 106 Cb 1.28 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.42 1k5g h PRO 106 CO 0.47 -0.30 2.67 -1.33 -0.21 0.00 0.00 178.00 179.29 1k5g n MET 107 N -5.30 3.08 -3.57 1.05 2.81 -1.26 -4.85 117.12 109.08 1k5g n MET 107 Ca -0.10 -2.96 -0.16 0.00 -1.81 0.00 0.00 57.70 52.67 1k5g n MET 107 Cb 0.21 -3.26 -0.06 0.00 -0.71 0.00 0.00 33.22 29.40 1k5g n MET 107 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1k5g s MET 108 N 2.88 1.00 -0.15 0.03 0.00 -1.24 -4.98 119.30 116.83 1k5g s MET 108 Ca 0.47 0.03 -0.34 0.00 0.00 0.00 0.00 55.69 55.85 1k5g s MET 108 Cb 0.10 0.46 0.14 0.00 0.00 0.00 0.00 34.83 35.53 1k5g s MET 108 CO -0.03 -0.33 1.31 -1.83 0.00 0.00 0.00 175.02 174.14 1k5g s GLU 109 N -1.63 0.22 -0.18 4.11 1.03 -1.26 -4.99 118.70 115.99 1k5g s GLU 109 Ca -0.10 -0.10 -0.16 0.00 0.03 0.00 0.00 54.97 54.65 1k5g s GLU 109 Cb -0.01 0.09 -0.04 0.00 -0.80 0.00 0.00 34.13 33.36 1k5g s GLU 109 CO 0.05 -0.10 0.38 -0.51 -1.33 0.00 0.00 175.26 173.75 1k5g s LEU 110 N -2.50 4.20 -0.19 1.83 1.43 -1.26 -4.59 118.68 117.60 1k5g s LEU 110 Ca 0.12 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1k5g s LEU 110 Cb 0.02 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.78 1k5g s LEU 110 CO -0.04 -0.01 -0.14 -0.54 0.23 0.00 0.00 176.35 175.84 1k5g s LYS 111 N 0.97 2.43 0.30 1.70 1.02 -1.18 -4.94 119.74 120.05 1k5g s LYS 111 Ca 0.19 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 55.09 1k5g s LYS 111 Cb -0.14 -2.45 -0.15 0.00 -0.52 0.00 0.00 37.83 34.56 1k5g s LYS 111 CO 0.07 -0.33 0.49 -2.30 -0.92 0.00 0.00 175.35 172.36 1k5g n PRO 112 N 4.65 0.29 -1.39 -1.68 -0.02 -1.26 -2.29 135.00 133.30 1k5g n PRO 112 Ca -0.17 0.10 -0.39 0.00 -2.02 0.00 0.00 63.50 61.02 1k5g n PRO 112 Cb 0.48 -1.21 -0.02 0.00 -0.02 0.00 0.00 33.50 32.73 1k5g n PRO 112 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1k5g n ASN 113 N 1.84 6.88 0.00 2.55 5.15 -1.08 -4.80 115.26 125.81 1k5g n ASN 113 Ca 0.14 -2.64 0.00 0.00 -0.60 0.00 0.00 54.58 51.48 1k5g n ASN 113 Cb 0.32 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.03 1k5g n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k5g n ALA 114 N 4.49 0.00 -1.67 5.20 0.00 -1.26 -4.40 120.51 122.86 1k5g n ALA 114 Ca 0.68 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.80 1k5g n ALA 114 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.75 1k5g n ALA 114 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1k5g s GLY 115 N 0.00 1.82 0.36 0.00 0.00 -1.26 -4.84 107.32 103.40 1k5g s GLY 115 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1k5g s GLY 115 CO 0.00 0.44 0.00 -1.26 0.00 0.00 0.00 173.10 172.28 1k5g n SER 116 N -2.63 -5.48 0.00 1.64 2.88 -1.26 -4.92 113.62 103.85 1k5g n SER 116 Ca 0.07 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1k5g n SER 116 Cb 0.53 -2.77 0.00 0.00 -0.75 0.00 0.00 64.21 61.22 1k5g n SER 116 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k5g n ASP 117 N -1.77 0.55 0.00 -3.46 5.75 -1.26 -4.05 116.55 112.31 1k5g n ASP 117 Ca 0.00 -0.83 0.11 0.00 -0.01 0.00 0.00 54.79 54.07 1k5g n ASP 117 Cb 0.20 0.21 0.68 0.00 -1.03 0.00 0.00 41.12 41.18 1k5g n ASP 117 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k5g n ARG 118 N -0.21 0.91 -4.02 0.11 1.74 -1.26 -4.80 116.66 109.12 1k5g n ARG 118 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1k5g n ARG 118 Cb 0.04 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 1k5g n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k5g s ALA 119 N -2.00 0.36 0.06 7.54 0.00 -1.26 -0.03 121.76 126.43 1k5g s ALA 119 Ca 0.34 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1k5g s ALA 119 Cb 0.16 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1k5g s ALA 119 CO 0.26 -0.09 -0.09 -1.58 0.00 0.00 0.00 175.76 174.27 1k5g s TRP 120 N -1.45 0.83 0.47 0.00 0.52 -0.48 -2.63 118.94 116.21 1k5g s TRP 120 Ca -0.13 -0.59 0.05 0.00 0.02 0.00 0.00 56.10 55.45 1k5g s TRP 120 Cb -0.10 -0.48 -0.02 0.00 -1.15 0.00 0.00 33.47 31.72 1k5g s TRP 120 CO -0.00 -0.07 0.18 0.14 0.02 0.00 0.00 176.95 177.22 1k5g s VAL 121 N -1.94 1.80 0.00 4.03 -7.23 -0.97 -0.78 120.40 115.31 1k5g s VAL 121 Ca -0.03 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1k5g s VAL 121 Cb -0.06 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1k5g s VAL 121 CO -0.00 0.00 0.00 -2.67 -0.31 0.00 0.00 175.10 172.12 1k5g n TRP 122 N -1.37 0.00 -4.16 2.82 2.14 -1.10 -3.09 117.44 112.67 1k5g n TRP 122 Ca -0.06 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.23 1k5g n TRP 122 Cb 0.65 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.08 1k5g n TRP 122 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1k5g s ASN 123 N 0.00 4.92 -0.06 -0.67 3.04 -1.26 -1.98 114.94 118.93 1k5g s ASN 123 Ca 0.00 -0.28 -0.02 0.00 0.04 0.00 0.00 52.86 52.60 1k5g s ASN 123 Cb 0.00 -1.12 0.03 0.00 -1.54 0.00 0.00 41.25 38.62 1k5g s ASN 123 CO 0.00 0.13 0.05 -0.89 -3.04 0.00 0.00 177.10 173.35 1k5g s THR 124 N -1.53 0.01 0.59 -5.21 2.01 -0.90 -4.91 115.64 105.71 1k5g s THR 124 Ca 0.27 0.29 0.32 0.00 0.31 0.00 0.00 61.69 62.88 1k5g s THR 124 Cb -0.10 -0.29 0.37 0.00 0.01 0.00 0.00 72.50 72.49 1k5g s THR 124 CO 0.19 0.15 2.27 0.45 -0.69 0.00 0.00 174.62 176.99 1k5g h HIS 125 N 8.41 0.00 -0.94 4.92 -0.00 -1.90 -3.00 115.15 122.65 1k5g h HIS 125 Ca -0.14 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.33 1k5g h HIS 125 Cb 1.12 0.00 -0.21 0.00 -0.00 0.00 0.00 27.41 28.32 1k5g h HIS 125 CO 0.45 0.01 -0.24 0.00 -0.00 0.00 0.00 177.93 178.14 1k5g s ALA 126 N -4.52 -2.39 0.31 2.45 0.00 -1.26 -4.15 121.76 112.20 1k5g s ALA 126 Ca -0.05 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.66 1k5g s ALA 126 Cb 0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1k5g s ALA 126 CO 0.52 -1.40 0.49 0.34 0.00 0.00 0.00 175.76 175.72 1k5g s ASP 127 N 2.87 6.30 -0.06 0.00 2.15 0.31 -4.54 116.67 123.69 1k5g s ASP 127 Ca 0.18 0.34 0.23 0.00 0.43 0.00 0.00 52.55 53.73 1k5g s ASP 127 Cb -0.14 -1.98 0.44 0.00 -0.30 0.00 0.00 42.92 40.94 1k5g s ASP 127 CO -0.21 -0.23 1.17 0.33 -0.17 0.00 0.00 175.17 176.07 1k5g n PHE 128 N -1.67 0.21 0.09 -5.34 7.35 -0.43 -1.78 117.46 115.89 1k5g n PHE 128 Ca -0.06 -0.86 0.01 0.00 -0.76 0.00 0.00 57.45 55.78 1k5g n PHE 128 Cb 0.56 -0.18 0.36 0.00 0.35 0.00 0.00 39.48 40.57 1k5g n PHE 128 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1k5g h ALA 129 N 1.22 1.44 -0.52 3.13 0.00 -1.86 -2.02 119.26 120.66 1k5g h ALA 129 Ca -0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1k5g h ALA 129 Cb 1.70 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1k5g h ALA 129 CO 0.11 0.39 0.08 -0.25 0.00 0.00 0.00 179.25 179.58 1k5g n ASP 130 N -4.26 4.71 -2.50 0.00 8.00 -1.26 -4.68 116.55 116.56 1k5g n ASP 130 Ca -0.00 -3.11 -0.14 0.00 0.71 0.00 0.00 54.79 52.25 1k5g n ASP 130 Cb 0.28 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 1k5g n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k5g n GLU 131 N -0.07 -2.30 -3.66 -1.24 1.02 -0.76 -4.93 120.64 108.70 1k5g n GLU 131 Ca 0.30 0.65 -0.15 0.00 -0.02 0.00 0.00 57.16 57.94 1k5g n GLU 131 Cb 1.16 -5.27 -0.14 0.00 -0.02 0.00 0.00 31.44 27.17 1k5g n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k5g n PRO 133 N 5.34 1.00 -4.36 0.00 -0.02 -1.26 -4.59 135.00 131.11 1k5g n PRO 133 Ca -0.05 0.22 -0.19 0.00 -2.02 0.00 0.00 63.50 61.46 1k5g n PRO 133 Cb 0.50 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.25 1k5g n PRO 133 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1k5g s LYS 134 N 6.95 0.75 -0.57 -0.52 1.02 -0.74 -4.88 119.74 121.76 1k5g s LYS 134 Ca 1.10 -0.31 -0.27 0.00 0.02 0.00 0.00 55.97 56.51 1k5g s LYS 134 Cb -0.74 -0.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.83 1k5g s LYS 134 CO 0.44 0.17 1.76 -2.14 -0.92 0.00 0.00 175.35 174.65 1k5g s PRO 135 N -0.11 2.87 -0.08 -1.68 0.02 -1.26 -0.53 135.00 134.22 1k5g s PRO 135 Ca 0.02 0.67 0.00 0.00 0.02 0.00 0.00 61.00 61.71 1k5g s PRO 135 Cb -0.04 -4.31 -0.03 0.00 0.02 0.00 0.00 34.50 30.14 1k5g s PRO 135 CO -0.00 -2.45 -0.06 -2.00 -0.33 0.00 0.00 177.00 172.16 1k5g s GLU 136 N 6.53 2.89 -0.55 5.54 2.56 -1.13 -4.99 118.70 129.55 1k5g s GLU 136 Ca 0.65 -0.53 -0.02 0.00 0.00 0.00 0.00 54.97 55.07 1k5g s GLU 136 Cb -0.14 -2.65 0.14 0.00 2.00 0.00 0.00 34.13 33.49 1k5g s GLU 136 CO 0.23 0.61 0.35 -1.17 -0.56 0.00 0.00 175.26 174.72 1k5g s LEU 137 N -0.66 5.19 0.00 2.70 0.20 -1.26 -2.13 118.68 122.72 1k5g s LEU 137 Ca 0.10 -2.60 -0.01 0.00 0.69 0.00 0.00 54.13 52.31 1k5g s LEU 137 Cb -0.11 -1.83 0.03 0.00 -0.43 0.00 0.00 46.19 43.84 1k5g s LEU 137 CO 0.02 -0.42 0.19 0.18 -0.29 0.00 0.00 176.35 176.03 1k5g n LEU 138 N 3.82 0.00 0.00 -0.68 4.77 -0.84 -2.41 117.00 121.65 1k5g n LEU 138 Ca 0.04 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1k5g n LEU 138 Cb 0.39 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1k5g n LEU 138 CO 0.33 -0.61 0.00 0.00 -1.33 0.00 0.00 177.39 175.78 1k5g n ALA 139 N -3.05 0.00 -2.46 -1.18 0.00 -1.06 -2.71 120.51 110.05 1k5g n ALA 139 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1k5g n ALA 139 Cb 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.43 1k5g n ALA 139 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1k5g s ILE 140 N 0.00 2.76 -0.04 0.00 2.07 0.04 -0.06 121.20 125.97 1k5g s ILE 140 Ca 0.00 -1.32 0.04 0.00 -1.41 0.00 0.00 60.65 57.96 1k5g s ILE 140 Cb 0.00 -2.20 -0.00 0.00 0.13 0.00 0.00 42.46 40.39 1k5g s ILE 140 CO 0.00 0.25 -0.15 -0.60 -1.91 0.00 0.00 174.94 172.53 1k5g s ARG 141 N -1.68 1.58 0.32 3.50 3.52 -0.31 -1.38 118.95 124.50 1k5g s ARG 141 Ca 0.16 -0.54 0.08 0.00 -0.13 0.00 0.00 55.73 55.29 1k5g s ARG 141 Cb -0.10 -1.40 -0.04 0.00 -1.56 0.00 0.00 34.95 31.85 1k5g s ARG 141 CO 0.07 0.22 0.17 -0.06 -0.81 0.00 0.00 175.30 174.89 1k5g s PHE 142 N 0.05 2.81 0.12 5.12 0.08 0.96 -1.89 117.98 125.22 1k5g s PHE 142 Ca -0.03 -0.30 -0.28 0.00 0.12 0.00 0.00 56.93 56.43 1k5g s PHE 142 Cb -0.11 -1.60 -0.07 0.00 -0.57 0.00 0.00 43.02 40.67 1k5g s PHE 142 CO 0.02 0.35 1.61 1.25 -0.10 0.00 0.00 175.22 178.35 1k5g h LEU 143 N 1.50 -1.03 -8.70 -0.37 5.85 -1.88 -3.43 115.31 107.24 1k5g h LEU 143 Ca -0.45 0.13 -0.70 0.00 0.84 0.00 0.00 57.88 57.70 1k5g h LEU 143 Cb 1.25 0.40 -0.28 0.00 0.37 0.00 0.00 40.66 42.40 1k5g h LEU 143 CO 0.61 -0.42 -0.86 0.20 -0.34 0.00 0.00 178.44 177.63 1k5g s ASN 144 N -4.79 3.27 0.49 1.25 0.01 -1.26 -5.03 114.94 108.88 1k5g s ASN 144 Ca -0.16 -0.45 0.26 0.00 -0.71 0.00 0.00 52.86 51.80 1k5g s ASN 144 Cb 0.08 -0.42 1.33 0.00 0.41 0.00 0.00 41.25 42.65 1k5g s ASN 144 CO 0.64 0.31 1.89 0.00 -1.51 0.00 0.00 177.10 178.43 1k5g h ALA 145 N 5.26 2.58 0.00 0.60 0.00 -1.89 0.24 119.26 126.05 1k5g h ALA 145 Ca -0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1k5g h ALA 145 Cb 1.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1k5g h ALA 145 CO 0.47 -0.83 -0.17 1.05 0.00 0.00 0.00 179.25 179.76 1k5g h GLU 146 N 0.14 0.00 -0.14 0.00 -0.00 -1.96 -2.60 114.58 110.02 1k5g h GLU 146 Ca 0.42 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.62 1k5g h GLU 146 Cb 1.44 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.18 1k5g h GLU 146 CO -0.07 0.17 -0.59 -0.91 -0.00 0.00 0.00 179.01 177.62 1k5g h ASN 147 N 0.00 0.52 -0.57 3.06 2.35 -0.94 -1.40 115.58 118.61 1k5g h ASN 147 Ca -0.00 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 1k5g h ASN 147 Cb 0.85 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 1k5g h ASN 147 CO 0.02 0.99 0.18 0.00 -1.65 0.00 0.00 177.43 176.98 1k5g h ALA 148 N 1.01 1.18 -0.07 -0.83 0.00 -1.22 -1.09 119.26 118.23 1k5g h ALA 148 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1k5g h ALA 148 Cb 1.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1k5g h ALA 148 CO 0.10 0.57 -0.03 1.96 0.00 0.00 0.00 179.25 181.86 1k5g h GLN 149 N 0.89 0.15 -0.40 0.00 1.08 -1.28 0.47 115.11 116.01 1k5g h GLN 149 Ca 0.20 -0.06 0.12 0.00 -1.45 0.00 0.00 58.65 57.45 1k5g h GLN 149 Cb 0.27 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1k5g h GLN 149 CO -0.01 0.50 0.40 0.87 -0.95 0.00 0.00 178.83 179.65 1k5g h LYS 150 N -0.21 0.00 0.00 1.46 1.57 -0.88 0.77 116.57 119.28 1k5g h LYS 150 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1k5g h LYS 150 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1k5g h LYS 150 CO 0.01 0.00 -0.30 0.35 -0.57 0.00 0.00 179.45 178.94 1k5g h PHE 151 N 0.00 0.00 -0.72 -1.35 3.57 -0.69 -3.09 116.94 114.65 1k5g h PHE 151 Ca 0.19 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.80 1k5g h PHE 151 Cb 1.00 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.66 1k5g h PHE 151 CO 0.00 0.39 0.35 -0.22 -2.23 0.00 0.00 178.31 176.60 1k5g h LYS 152 N -1.00 0.56 0.26 1.11 3.64 0.90 1.31 116.57 123.35 1k5g h LYS 152 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1k5g h LYS 152 Cb 0.50 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1k5g h LYS 152 CO -0.03 0.37 -0.31 0.00 -2.27 0.00 0.00 179.45 177.21 1k5g h THR 153 N 0.57 0.35 0.00 1.00 1.03 0.36 1.04 112.91 117.26 1k5g h THR 153 Ca 0.36 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.72 1k5g h THR 153 Cb 0.42 0.35 -0.01 0.00 -1.07 0.00 0.00 68.15 67.84 1k5g h THR 153 CO -0.29 0.00 -0.21 0.50 -0.01 0.00 0.00 175.52 175.51 1k5g h LYS 154 N -0.62 0.00 0.04 0.00 1.63 -1.16 -0.32 116.57 116.14 1k5g h LYS 154 Ca -0.00 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.54 1k5g h LYS 154 Cb 0.59 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1k5g h LYS 154 CO -0.09 0.21 -1.07 0.35 -3.45 0.00 0.00 179.45 175.39 1k5g h PHE 155 N 0.00 0.80 0.22 1.91 3.57 0.27 -3.00 116.94 120.70 1k5g h PHE 155 Ca -0.00 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1k5g h PHE 155 Cb 0.47 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1k5g h PHE 155 CO 0.00 1.30 -0.11 1.49 -2.23 0.00 0.00 178.31 178.77 1k5g h GLU 156 N 0.26 -0.29 0.00 1.11 4.57 0.17 0.46 114.58 120.86 1k5g h GLU 156 Ca -0.12 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1k5g h GLU 156 Cb 1.73 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.39 1k5g h GLU 156 CO 0.20 0.04 0.20 1.05 -1.18 0.00 0.00 179.01 179.32 1k5g h GLU 157 N -0.97 0.00 0.00 1.92 4.11 -1.23 1.43 114.58 119.85 1k5g h GLU 157 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 1k5g h GLU 157 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1k5g h GLU 157 CO 0.05 0.00 -1.37 0.00 0.07 0.00 0.00 179.01 177.76 1k5g h ARG 159 N 0.00 0.00 0.00 0.00 1.12 0.41 -3.29 114.38 112.62 1k5g h ARG 159 Ca -0.04 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.74 1k5g h ARG 159 Cb 1.12 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.07 1k5g h ARG 159 CO 0.01 0.36 -0.50 -0.22 -3.11 0.00 0.00 179.97 176.51 1k5g h LYS 160 N 0.00 0.00 0.00 0.20 3.64 -0.97 -2.81 116.57 116.63 1k5g h LYS 160 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1k5g h LYS 160 Cb 1.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1k5g h LYS 160 CO 0.05 0.97 0.47 1.49 -2.27 0.00 0.00 179.45 180.16 1k5g h GLU 161 N -1.00 0.00 0.00 1.90 4.81 -1.54 0.71 114.58 119.47 1k5g h GLU 161 Ca -0.14 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.80 1k5g h GLU 161 Cb 1.10 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 1k5g h GLU 161 CO -0.08 0.00 -2.12 -0.89 -0.73 0.00 0.00 179.01 175.19 1k5g n ILE 162 N -1.97 1.12 0.25 2.32 5.41 -1.23 -4.16 119.36 121.10 1k5g n ILE 162 Ca -0.01 -0.66 0.14 0.00 1.00 0.00 0.00 62.75 63.23 1k5g n ILE 162 Cb 0.48 -0.66 0.55 0.00 -0.71 0.00 0.00 39.64 39.30 1k5g n ILE 162 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1k5g h GLU 163 N 0.00 0.00 0.00 0.38 4.81 0.64 -1.56 114.58 118.85 1k5g h GLU 163 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1k5g h GLU 163 Cb 1.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.34 1k5g h GLU 163 CO 0.01 0.09 0.00 0.93 -0.73 0.00 0.00 179.01 179.31 1k5g h GLU 164 N 0.00 0.00 0.00 1.92 5.08 -1.32 -3.37 114.58 116.88 1k5g h GLU 164 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k5g h GLU 164 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1k5g h GLU 164 CO 0.01 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.89 1k5g n ARG 165 N -2.78 0.00 -1.40 2.33 0.63 -0.58 -4.57 116.66 110.29 1k5g n ARG 165 Ca 0.04 0.00 -0.52 0.00 -0.92 0.00 0.00 57.85 56.46 1k5g n ARG 165 Cb 0.47 -0.58 -0.09 0.00 0.45 0.00 0.00 32.46 32.71 1k5g n ARG 165 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1k5g n GLU 166 N -0.14 0.67 -0.23 -0.14 0.00 -1.25 -5.13 120.64 114.42 1k5g n GLU 166 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.33 1k5g n GLU 166 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 31.44 29.29 1k5g n GLU 166 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76