#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 -1.47 -1.32 1.20 6.17 -2.13 -3.40 115.15 114.20 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 0.60 -0.22 0.00 2.52 0.00 0.00 27.41 30.31 1k5g h HIS 23 CO 0.00 -0.63 -0.56 0.34 0.71 0.00 0.00 177.93 177.79 1k5g s ASP 24 N -4.54 -0.68 0.14 3.26 2.15 -1.26 -5.14 116.67 110.60 1k5g s ASP 24 Ca -0.17 -1.51 -0.34 0.00 0.43 0.00 0.00 52.55 50.96 1k5g s ASP 24 Cb 0.05 1.43 -0.17 0.00 -0.30 0.00 0.00 42.92 43.93 1k5g s ASP 24 CO 0.61 -0.14 1.12 -2.65 -0.17 0.00 0.00 175.17 173.94 1k5g n PRO 25 N 3.70 0.89 -4.23 4.34 -0.02 -1.26 -4.96 135.00 133.47 1k5g n PRO 25 Ca 0.15 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 1k5g n PRO 25 Cb 0.53 -1.80 -0.12 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.25 3.66 -0.02 -0.52 2.00 -1.26 -5.10 119.66 118.17 1k5g s GLN 26 Ca 0.77 -0.51 0.02 0.00 -2.00 0.00 0.00 55.36 53.64 1k5g s GLN 26 Cb -0.94 -3.00 0.00 0.00 0.80 0.00 0.00 33.01 29.87 1k5g s GLN 26 CO 0.52 0.13 -0.08 -0.06 -0.50 0.00 0.00 175.29 175.31 1k5g s PHE 27 N 0.66 0.78 -0.34 1.67 0.40 -1.26 -5.11 117.98 114.79 1k5g s PHE 27 Ca -0.01 -0.17 -0.27 0.00 -0.60 0.00 0.00 56.93 55.88 1k5g s PHE 27 Cb -0.14 -0.55 0.01 0.00 0.51 0.00 0.00 43.02 42.85 1k5g s PHE 27 CO 0.02 -0.06 0.97 -1.83 0.70 0.00 0.00 175.22 175.02 1k5g s GLU 28 N 0.08 3.96 0.07 0.44 -1.05 -1.26 -4.96 118.70 115.99 1k5g s GLU 28 Ca -0.01 0.80 -0.11 0.00 -0.15 0.00 0.00 54.97 55.50 1k5g s GLU 28 Cb -0.06 -3.76 -0.07 0.00 -0.44 0.00 0.00 34.13 29.80 1k5g s GLU 28 CO 0.00 -0.88 0.23 -2.30 0.95 0.00 0.00 175.26 173.26 1k5g n PRO 29 N 6.72 0.00 0.01 -4.83 -0.02 -1.26 -4.93 135.00 130.69 1k5g n PRO 29 Ca 0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.50 1k5g n PRO 29 Cb 0.48 -0.41 -0.12 0.00 -0.02 0.00 0.00 33.50 33.43 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 0.48 0.94 -4.41 4.25 2.04 -2.08 -3.48 117.51 115.26 1k5g h ILE 30 Ca -0.12 -2.68 -0.22 0.00 1.00 0.00 0.00 64.86 62.84 1k5g h ILE 30 Cb 0.56 2.43 -0.15 0.00 -0.74 0.00 0.00 36.82 38.91 1k5g h ILE 30 CO 0.22 0.54 -0.64 0.68 0.00 0.00 0.00 178.15 178.95 1k5g s VAL 31 N -2.70 0.13 -0.28 1.67 -7.23 -1.26 -5.13 120.40 105.60 1k5g s VAL 31 Ca -0.03 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1k5g s VAL 31 Cb 0.08 -2.26 0.07 0.00 0.56 0.00 0.00 36.38 34.84 1k5g s VAL 31 CO 0.82 -0.26 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.76 1k5g s SER 32 N -3.11 4.35 -0.23 4.85 0.15 -1.26 -5.09 113.70 113.35 1k5g s SER 32 Ca 0.31 -1.58 -0.02 0.00 0.70 0.00 0.00 55.95 55.36 1k5g s SER 32 Cb 0.07 -1.42 0.02 0.00 -1.71 0.00 0.00 66.02 62.98 1k5g s SER 32 CO 0.06 -0.27 -0.07 -0.76 1.20 0.00 0.00 173.24 173.40 1k5g s LEU 33 N 1.16 2.98 0.44 3.45 1.43 -1.26 -5.10 118.68 121.78 1k5g s LEU 33 Ca -0.01 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 52.12 1k5g s LEU 33 Cb -0.19 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 1k5g s LEU 33 CO -0.08 -0.08 1.35 -2.65 0.23 0.00 0.00 176.35 175.12 1k5g n PRO 34 N 4.70 2.07 -1.36 1.29 -0.02 -1.26 -4.95 135.00 135.47 1k5g n PRO 34 Ca -0.17 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 1k5g n PRO 34 Cb 0.48 -2.51 0.08 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.11 0.48 -3.71 -0.52 4.07 -1.26 -4.99 120.64 114.58 1k5g n GLU 35 Ca 0.06 0.21 -0.14 0.00 -0.06 0.00 0.00 57.16 57.23 1k5g n GLU 35 Cb 0.41 -2.06 -0.08 0.00 -0.06 0.00 0.00 31.44 29.64 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 -3.02 0.72 -0.43 5.31 0.74 -1.26 -5.11 119.66 116.61 1k5g s GLN 36 Ca 0.71 -0.04 -0.16 0.00 0.05 0.00 0.00 55.36 55.92 1k5g s GLN 36 Cb -0.36 0.33 0.03 0.00 1.10 0.00 0.00 33.01 34.11 1k5g s GLN 36 CO 0.53 -0.20 0.39 -1.21 -0.55 0.00 0.00 175.29 174.25 1k5g s GLU 37 N -1.15 3.04 -0.26 1.67 2.02 -1.26 -5.05 118.70 117.71 1k5g s GLU 37 Ca -0.12 -0.92 -0.16 0.00 0.02 0.00 0.00 54.97 53.79 1k5g s GLU 37 Cb -0.04 -4.00 -0.03 0.00 0.10 0.00 0.00 34.13 30.16 1k5g s GLU 37 CO 0.05 -0.85 0.43 0.96 0.02 0.00 0.00 175.26 175.87 1k5g s ILE 38 N 1.94 5.13 0.74 -1.63 -5.25 -1.26 -5.07 121.20 115.79 1k5g s ILE 38 Ca 0.09 0.71 -0.09 0.00 -0.99 0.00 0.00 60.65 60.37 1k5g s ILE 38 Cb -0.19 -3.75 0.06 0.00 2.95 0.00 0.00 42.46 41.54 1k5g s ILE 38 CO 0.11 0.13 1.07 -0.54 -1.79 0.00 0.00 174.94 173.93 1k5g s LYS 39 N 2.13 2.15 -0.00 0.37 -0.14 -1.26 -5.02 119.74 117.97 1k5g s LYS 39 Ca 0.18 -0.11 0.07 0.00 -1.36 0.00 0.00 55.97 54.75 1k5g s LYS 39 Cb -0.16 -2.09 -0.09 0.00 -1.68 0.00 0.00 37.83 33.81 1k5g s LYS 39 CO 0.09 -1.34 0.25 2.41 -0.76 0.00 0.00 175.35 176.00 1k5g n THR 40 N -3.05 0.00 -2.24 2.17 -1.04 -1.26 -4.96 114.28 103.91 1k5g n THR 40 Ca 0.08 -0.28 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 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 -1.36 -1.82 -0.11 -4.42 4.32 -1.26 -4.77 117.00 107.58 1k5g n LEU 41 Ca 0.00 0.10 0.02 0.00 -0.02 0.00 0.00 56.01 56.11 1k5g n LEU 41 Cb 0.14 -2.89 0.03 0.00 -1.62 0.00 0.00 43.42 39.07 1k5g n LEU 41 CO 0.15 -0.39 0.40 1.21 -1.22 0.00 0.00 177.39 177.54 1k5g n GLU 42 N -2.87 1.24 0.02 3.23 2.13 -1.26 -4.80 120.64 118.32 1k5g n GLU 42 Ca -0.24 -1.35 -0.19 0.00 0.66 0.00 0.00 57.16 56.04 1k5g n GLU 42 Cb 0.68 -0.87 -0.09 0.00 0.27 0.00 0.00 31.44 31.43 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 0.72 -1.16 5.31 3.07 -2.00 -3.02 114.58 117.51 1k5g h GLU 43 Ca 0.00 -0.71 -0.13 0.00 -0.50 0.00 0.00 59.36 58.03 1k5g h GLU 43 Cb 0.91 0.18 -0.07 0.00 -0.84 0.00 0.00 28.75 28.93 1k5g h GLU 43 CO 0.00 1.29 0.16 -0.25 -1.40 0.00 0.00 179.01 178.81 1k5g n ASP 44 N -3.91 3.73 0.00 1.42 8.00 -1.26 -4.80 116.55 119.73 1k5g n ASP 44 Ca -0.10 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 52.96 1k5g n ASP 44 Cb 0.82 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.29 0.03 0.00 -1.24 0.28 -1.14 -3.27 120.64 115.59 1k5g n GLU 45 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1k5g n GLU 45 Cb 0.72 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.59 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 -2.94 3.44 -0.58 -1.25 -3.58 120.64 115.73 1k5g n GLU 46 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 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 -1.25 0.07 3.49 2.13 -1.24 -4.96 120.64 118.89 1k5g n GLU 47 Ca 0.00 1.44 -0.13 0.00 0.66 0.00 0.00 57.16 59.13 1k5g n GLU 47 Cb 0.00 -5.44 -0.08 0.00 0.27 0.00 0.00 31.44 26.18 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 0.46 -0.15 -8.69 4.31 3.38 -1.43 -3.45 115.31 109.74 1k5g h LEU 48 Ca 0.00 -0.23 -0.67 0.00 0.09 0.00 0.00 57.88 57.07 1k5g h LEU 48 Cb 1.00 0.04 -0.26 0.00 0.09 0.00 0.00 40.66 41.52 1k5g h LEU 48 CO 0.27 0.16 -0.87 0.12 0.09 0.00 0.00 178.44 178.21 1k5g s PHE 49 N -4.98 2.19 -0.18 1.13 5.36 -1.23 -4.98 117.98 115.29 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 -1.31 0.09 0.00 -0.34 0.00 0.00 43.02 41.49 1k5g s PHE 49 CO 0.62 0.11 0.37 0.21 -1.46 0.00 0.00 175.22 175.07 1k5g s LYS 50 N -1.20 0.27 -0.24 10.12 2.20 -1.26 -1.53 119.74 128.11 1k5g s LYS 50 Ca 0.11 0.88 -0.26 0.00 -0.36 0.00 0.00 55.97 56.34 1k5g s LYS 50 Cb -0.10 0.10 0.08 0.00 -1.51 0.00 0.00 37.83 36.41 1k5g s LYS 50 CO 0.02 -0.32 0.78 1.41 -0.36 0.00 0.00 175.35 176.88 1k5g s MET 51 N 2.55 0.80 0.31 4.03 1.75 -0.89 -4.96 119.30 122.88 1k5g s MET 51 Ca 0.01 0.80 -0.24 0.00 -1.25 0.00 0.00 55.69 55.01 1k5g s MET 51 Cb -0.13 0.39 -0.10 0.00 2.84 0.00 0.00 34.83 37.84 1k5g s MET 51 CO -0.12 -0.13 0.90 -0.98 -0.65 0.00 0.00 175.02 174.04 1k5g s ARG 52 N 0.09 4.49 0.10 4.11 1.70 -1.26 0.32 118.95 128.50 1k5g s ARG 52 Ca -0.01 1.22 -0.26 0.00 -0.47 0.00 0.00 55.73 56.20 1k5g s ARG 52 Cb -0.04 -2.78 0.08 0.00 -0.57 0.00 0.00 34.95 31.64 1k5g s ARG 52 CO 0.01 0.28 0.90 0.00 -1.08 0.00 0.00 175.30 175.42 1k5g s ALA 53 N -1.63 -1.70 -0.20 7.88 0.00 0.11 -4.63 121.76 121.59 1k5g s ALA 53 Ca 0.49 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 1k5g s ALA 53 Cb -0.18 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 1k5g s ALA 53 CO 0.22 -0.89 0.24 0.21 0.00 0.00 0.00 175.76 175.55 1k5g s LYS 54 N -3.27 4.18 -0.08 0.00 2.20 -0.78 -1.81 119.74 120.17 1k5g s LYS 54 Ca 0.09 -0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1k5g s LYS 54 Cb -0.01 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 1k5g s LYS 54 CO -0.03 0.15 0.05 -1.17 -0.36 0.00 0.00 175.35 173.99 1k5g s LEU 55 N 0.78 3.85 0.17 5.43 2.96 0.21 -1.16 118.68 130.92 1k5g s LEU 55 Ca 0.13 0.23 0.11 0.00 -0.22 0.00 0.00 54.13 54.37 1k5g s LEU 55 Cb -0.13 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1k5g s LEU 55 CO 0.04 0.37 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.84 1k5g s PHE 56 N -0.98 2.18 0.21 5.38 0.40 0.14 -0.33 117.98 124.97 1k5g s PHE 56 Ca 0.15 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 1k5g s PHE 56 Cb -0.12 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1k5g s PHE 56 CO 0.05 0.42 0.07 0.50 0.70 0.00 0.00 175.22 176.95 1k5g s ARG 57 N -2.52 2.59 -0.23 0.44 3.00 0.15 -2.49 118.95 119.89 1k5g s ARG 57 Ca 0.18 -1.12 -0.04 0.00 -1.00 0.00 0.00 55.73 53.75 1k5g s ARG 57 Cb -0.08 -2.41 -0.01 0.00 0.00 0.00 0.00 34.95 32.45 1k5g s ARG 57 CO 0.08 0.43 -0.03 0.12 0.00 0.00 0.00 175.30 175.90 1k5g s PHE 58 N -1.95 2.99 0.00 5.12 2.19 -1.05 -1.64 117.98 123.64 1k5g s PHE 58 Ca 0.30 -0.95 0.00 0.00 0.33 0.00 0.00 56.93 56.61 1k5g s PHE 58 Cb -0.08 -2.12 0.00 0.00 -1.31 0.00 0.00 43.02 39.50 1k5g s PHE 58 CO 0.21 -0.55 0.00 0.00 1.83 0.00 0.00 175.22 176.71 1k5g n ALA 59 N 4.80 0.00 0.00 11.12 0.00 0.39 -4.85 120.51 131.97 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.58 0.00 2.88 -1.26 -4.58 113.62 107.08 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 4.25 0.00 -1.46 4.07 -1.26 -4.20 120.64 122.04 1k5g n GLU 61 Ca 0.00 -3.39 0.00 0.00 -0.06 0.00 0.00 57.16 53.71 1k5g n GLU 61 Cb 0.00 -2.73 0.00 0.00 -0.06 0.00 0.00 31.44 28.65 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 2.48 0.54 0.00 4.31 4.13 -1.26 -4.96 115.26 120.49 1k5g n ASN 62 Ca 0.57 -0.77 0.00 0.00 1.68 0.00 0.00 54.58 56.06 1k5g n ASN 62 Cb 0.28 0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.96 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 0.00 -1.36 -0.10 0.00 -0.64 0.00 0.00 41.12 39.03 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 -2.82 -0.20 0.00 0.02 0.00 0.00 54.13 51.13 1k5g s LEU 64 Cb 0.00 -1.85 -0.19 0.00 0.02 0.00 0.00 46.19 44.16 1k5g s LEU 64 CO 0.00 -0.38 2.18 -2.65 0.02 0.00 0.00 176.35 175.52 1k5g n PRO 65 N 3.54 0.29 -4.44 1.29 -0.02 -1.26 -4.77 135.00 129.63 1k5g n PRO 65 Ca 0.07 -0.75 -0.23 0.00 -2.02 0.00 0.00 63.50 60.58 1k5g n PRO 65 Cb 0.38 -2.90 -0.10 0.00 -0.02 0.00 0.00 33.50 30.86 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 8.08 1.58 -0.36 -0.52 2.02 -1.26 -4.93 118.70 123.31 1k5g s GLU 66 Ca 0.92 -1.71 -0.11 0.00 0.02 0.00 0.00 54.97 54.08 1k5g s GLU 66 Cb -0.27 -1.60 0.01 0.00 0.10 0.00 0.00 34.13 32.38 1k5g s GLU 66 CO 0.21 0.29 0.21 -1.58 0.02 0.00 0.00 175.26 174.41 1k5g s TRP 67 N -2.60 3.23 -0.17 1.61 0.52 -1.26 0.15 118.94 120.41 1k5g s TRP 67 Ca 0.28 -0.75 -0.13 0.00 0.02 0.00 0.00 56.10 55.52 1k5g s TRP 67 Cb -0.04 -2.44 -0.05 0.00 -1.15 0.00 0.00 33.47 29.79 1k5g s TRP 67 CO 0.13 -0.57 0.24 0.15 0.02 0.00 0.00 176.95 176.92 1k5g s LYS 68 N 1.60 4.24 0.51 4.98 1.02 -0.65 -4.92 119.74 126.52 1k5g s LYS 68 Ca 0.03 -0.00 -0.22 0.00 0.02 0.00 0.00 55.97 55.80 1k5g s LYS 68 Cb -0.18 -3.43 -0.07 0.00 -0.52 0.00 0.00 37.83 33.63 1k5g s LYS 68 CO 0.07 0.25 1.22 0.39 -0.92 0.00 0.00 175.35 176.37 1k5g n GLU 69 N 3.57 1.57 -0.01 1.68 1.02 -1.26 0.34 120.64 127.54 1k5g n GLU 69 Ca -0.13 0.57 -0.01 0.00 -0.02 0.00 0.00 57.16 57.57 1k5g n GLU 69 Cb 0.52 -2.39 -0.01 0.00 -0.02 0.00 0.00 31.44 29.53 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 -0.61 1.86 0.00 3.49 3.00 0.55 -4.63 116.66 120.33 1k5g n ARG 70 Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1k5g n ARG 70 Cb 0.43 -1.06 0.00 0.00 0.00 0.00 0.00 32.46 31.84 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 3.12 1.31 2.83 5.14 0.00 -0.97 -4.86 105.19 111.75 1k5g n GLY 71 Ca -0.04 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 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 0.88 0.00 2.61 2.01 -1.26 0.64 115.64 118.52 1k5g s THR 72 Ca 0.00 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1k5g s THR 72 Cb 0.00 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1k5g s THR 72 CO 0.00 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1k5g n GLY 73 N 4.94 0.77 3.66 4.40 0.00 -0.75 -1.55 105.19 116.65 1k5g n GLY 73 Ca -0.10 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 0.39 7.06 0.19 1.61 -0.00 -1.24 0.07 116.67 124.75 1k5g s ASP 74 Ca 0.00 1.32 -0.18 0.00 -0.00 0.00 0.00 52.55 53.69 1k5g s ASP 74 Cb 0.00 -2.52 -0.08 0.00 -0.00 0.00 0.00 42.92 40.33 1k5g s ASP 74 CO 0.00 -0.59 0.67 -0.69 -0.00 0.00 0.00 175.17 174.56 1k5g s VAL 75 N 2.89 4.66 0.00 -1.27 1.01 0.15 -3.74 120.40 124.11 1k5g s VAL 75 Ca 0.42 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1k5g s VAL 75 Cb -0.16 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1k5g s VAL 75 CO 0.08 0.23 -0.01 -0.54 0.00 0.00 0.00 175.10 174.87 1k5g s LYS 76 N -1.94 0.08 -0.21 2.72 1.02 -0.86 -2.10 119.74 118.45 1k5g s LYS 76 Ca 0.41 -0.14 -0.04 0.00 0.02 0.00 0.00 55.97 56.22 1k5g s LYS 76 Cb -0.16 0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.14 1k5g s LYS 76 CO 0.20 -0.01 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.09 1k5g s LEU 77 N -0.33 3.02 -0.05 3.17 1.43 -0.58 -0.97 118.68 124.37 1k5g s LEU 77 Ca -0.03 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1k5g s LEU 77 Cb -0.02 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1k5g s LEU 77 CO -0.00 0.01 -0.22 -0.76 0.23 0.00 0.00 176.35 175.61 1k5g s LEU 78 N 1.32 2.00 0.11 1.79 1.43 0.17 -0.94 118.68 124.57 1k5g s LEU 78 Ca 0.04 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1k5g s LEU 78 Cb -0.14 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1k5g s LEU 78 CO -0.01 0.21 -0.12 -0.75 0.23 0.00 0.00 176.35 175.91 1k5g s LYS 79 N -0.10 2.06 -0.27 1.70 2.20 -1.26 0.46 119.74 124.53 1k5g s LYS 79 Ca -0.03 -1.06 -0.15 0.00 -0.36 0.00 0.00 55.97 54.37 1k5g s LYS 79 Cb -0.12 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1k5g s LYS 79 CO 0.03 0.50 0.38 -1.58 -0.36 0.00 0.00 175.35 174.32 1k5g s HIS 80 N -1.22 3.25 0.12 4.03 5.65 0.94 -3.83 115.29 124.24 1k5g s HIS 80 Ca 0.21 0.43 -0.32 0.00 0.25 0.00 0.00 55.06 55.63 1k5g s HIS 80 Cb -0.11 -2.57 -0.10 0.00 -1.18 0.00 0.00 32.58 28.62 1k5g s HIS 80 CO 0.13 -0.22 1.57 0.87 -0.65 0.00 0.00 174.74 176.44 1k5g h LYS 81 N 8.12 -0.57 0.00 2.88 1.57 -1.60 -3.11 116.57 123.86 1k5g h LYS 81 Ca -0.32 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1k5g h LYS 81 Cb 1.16 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1k5g h LYS 81 CO 0.65 -0.38 0.00 0.39 -0.57 0.00 0.00 179.45 179.54 1k5g n GLU 82 N -5.45 0.00 0.00 3.15 -0.58 -1.26 -4.74 120.64 111.75 1k5g n GLU 82 Ca -0.06 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1k5g n GLU 82 Cb 0.38 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 -1.86 2.54 0.00 3.49 5.02 -1.18 -5.06 118.16 121.11 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 0.11 0.72 0.00 -1.21 -4.65 105.19 105.16 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 -1.72 -0.76 -3.03 4.61 0.00 -1.26 -2.94 120.51 115.41 1k5g n ALA 85 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1k5g n ALA 85 Cb 0.17 -0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.40 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 1.34 0.28 0.00 1.01 -1.25 -0.04 121.20 122.53 1k5g s ILE 86 Ca 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1k5g s ILE 86 Cb -0.04 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 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 0.18 1.48 -0.13 2.79 1.70 0.17 -0.58 118.95 124.57 1k5g s ARG 87 Ca -0.06 -1.81 -0.04 0.00 -0.47 0.00 0.00 55.73 53.35 1k5g s ARG 87 Cb -0.12 -0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 33.83 1k5g s ARG 87 CO 0.03 -0.28 -0.01 -1.17 -1.08 0.00 0.00 175.30 172.79 1k5g s LEU 88 N -3.36 3.47 -0.13 -1.89 0.20 0.84 -0.66 118.68 117.15 1k5g s LEU 88 Ca 0.37 0.01 -0.04 0.00 0.69 0.00 0.00 54.13 55.16 1k5g s LEU 88 Cb 0.08 -1.82 0.05 0.00 -0.43 0.00 0.00 46.19 44.07 1k5g s LEU 88 CO 0.14 0.25 0.09 -0.22 -0.29 0.00 0.00 176.35 176.33 1k5g s LEU 89 N -0.13 0.23 0.07 -0.68 2.96 -0.15 -1.96 118.68 119.02 1k5g s LEU 89 Ca 0.04 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 1k5g s LEU 89 Cb -0.13 -0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.39 1k5g s LEU 89 CO 0.02 -0.31 -0.19 -0.32 -1.32 0.00 0.00 176.35 174.22 1k5g s MET 90 N 2.17 1.90 0.01 1.98 1.75 0.73 -2.02 119.30 125.82 1k5g s MET 90 Ca 0.03 -1.08 0.04 0.00 -1.25 0.00 0.00 55.69 53.43 1k5g s MET 90 Cb -0.15 -2.12 -0.01 0.00 2.84 0.00 0.00 34.83 35.39 1k5g s MET 90 CO -0.07 0.51 -0.12 1.03 -0.65 0.00 0.00 175.02 175.72 1k5g s ARG 91 N -1.70 0.88 0.52 4.11 0.52 -1.25 -0.83 118.95 121.22 1k5g s ARG 91 Ca 0.15 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.69 1k5g s ARG 91 Cb -0.10 -0.85 -0.07 0.00 0.52 0.00 0.00 34.95 34.44 1k5g s ARG 91 CO 0.07 0.23 0.98 1.03 0.02 0.00 0.00 175.30 177.62 1k5g s ARG 92 N -0.59 3.90 0.76 3.54 0.52 -0.37 -3.68 118.95 123.02 1k5g s ARG 92 Ca 0.03 0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 56.01 1k5g s ARG 92 Cb -0.06 -2.14 0.06 0.00 0.52 0.00 0.00 34.95 33.33 1k5g s ARG 92 CO 0.00 -0.30 1.17 -0.51 0.02 0.00 0.00 175.30 175.68 1k5g s ASP 93 N -3.21 4.09 0.00 0.23 -0.00 -0.60 -1.27 116.67 115.92 1k5g s ASP 93 Ca 0.58 2.21 0.00 0.00 -0.00 0.00 0.00 52.55 55.35 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 0.34 -2.32 0.00 0.29 -0.00 0.00 0.00 175.17 173.48 1k5g n LYS 94 N -3.07 0.00 0.11 8.23 4.01 -1.26 -3.83 118.16 122.35 1k5g n LYS 94 Ca 0.12 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.90 1k5g n LYS 94 Cb 0.51 0.00 0.20 0.00 -0.51 0.00 0.00 35.03 35.23 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 1.36 0.00 -0.18 1.03 -2.00 -3.46 112.91 109.65 1k5g h THR 95 Ca 0.00 -1.77 0.00 0.00 -0.01 0.00 0.00 66.41 64.63 1k5g h THR 95 Cb 0.00 1.89 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 1k5g h THR 95 CO 0.00 0.52 0.00 0.18 -0.01 0.00 0.00 175.52 176.21 1k5g n LEU 96 N -3.94 0.76 -4.76 0.00 4.32 -0.39 -4.97 117.00 108.02 1k5g n LEU 96 Ca -0.02 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.62 1k5g n LEU 96 Cb 0.54 -1.94 0.02 0.00 -1.62 0.00 0.00 43.42 40.43 1k5g n LEU 96 CO 0.42 -0.72 0.82 -0.54 -1.22 0.00 0.00 177.39 176.15 1k5g s LYS 97 N -1.45 3.17 -0.01 3.23 -0.14 -1.26 -4.56 119.74 118.72 1k5g s LYS 97 Ca 0.00 1.73 -0.30 0.00 -1.36 0.00 0.00 55.97 56.04 1k5g s LYS 97 Cb 0.00 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 1k5g s LYS 97 CO 0.00 -1.03 1.23 0.42 -0.76 0.00 0.00 175.35 175.21 1k5g s ILE 98 N -1.67 4.10 -0.82 2.17 1.01 -1.26 -1.24 121.20 123.49 1k5g s ILE 98 Ca 0.75 1.47 0.08 0.00 0.00 0.00 0.00 60.65 62.95 1k5g s ILE 98 Cb -0.28 -3.94 0.18 0.00 0.01 0.00 0.00 42.46 38.43 1k5g s ILE 98 CO 0.30 0.03 1.05 0.00 0.00 0.00 0.00 174.94 176.32 1k5g s ALA 100 N -0.90 -2.64 -0.40 0.00 0.00 -1.23 -4.85 121.76 111.75 1k5g s ALA 100 Ca 0.15 2.00 0.03 0.00 0.00 0.00 0.00 51.96 54.14 1k5g s ALA 100 Cb 0.08 -1.97 0.18 0.00 0.00 0.00 0.00 23.12 21.42 1k5g s ALA 100 CO 0.11 -0.32 0.75 1.21 0.00 0.00 0.00 175.76 177.52 1k5g s ASN 101 N 1.06 -1.20 0.09 0.00 2.47 -1.24 -0.19 114.94 115.93 1k5g s ASN 101 Ca -0.08 -0.69 -0.05 0.00 0.42 0.00 0.00 52.86 52.46 1k5g s ASN 101 Cb -0.02 1.54 -0.02 0.00 -1.45 0.00 0.00 41.25 41.29 1k5g s ASN 101 CO -0.10 -0.12 0.10 -1.38 -3.72 0.00 0.00 177.10 171.88 1k5g s HIS 102 N 1.77 0.43 0.54 0.43 -3.43 -0.83 -1.27 115.29 112.94 1k5g s HIS 102 Ca 0.17 -0.89 -0.12 0.00 -0.80 0.00 0.00 55.06 53.42 1k5g s HIS 102 Cb -0.01 -0.25 -0.06 0.00 -1.43 0.00 0.00 32.58 30.83 1k5g s HIS 102 CO -0.09 -0.51 0.95 0.71 -2.00 0.00 0.00 174.74 173.80 1k5g s TYR 103 N -3.93 3.54 -0.26 0.38 2.02 -1.26 -0.12 117.35 117.73 1k5g s TYR 103 Ca 0.10 1.25 -0.13 0.00 -0.37 0.00 0.00 57.07 57.92 1k5g s TYR 103 Cb 0.06 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1k5g s TYR 103 CO -0.07 -0.45 0.30 0.42 -1.57 0.00 0.00 175.55 174.17 1k5g s ILE 104 N -2.83 5.24 0.44 2.71 1.01 0.26 -4.82 121.20 123.21 1k5g s ILE 104 Ca 0.55 0.43 0.08 0.00 0.00 0.00 0.00 60.65 61.70 1k5g s ILE 104 Cb -0.10 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1k5g s ILE 104 CO 0.42 0.23 0.54 0.42 0.00 0.00 0.00 174.94 176.55 1k5g s THR 105 N 1.70 2.80 0.09 2.92 -4.23 -1.26 -4.78 115.64 112.89 1k5g s THR 105 Ca 0.12 -1.09 -0.27 0.00 -1.18 0.00 0.00 61.69 59.27 1k5g s THR 105 Cb -0.15 -2.90 -0.14 0.00 1.34 0.00 0.00 72.50 70.66 1k5g s THR 105 CO 0.09 0.00 1.67 -0.65 -0.54 0.00 0.00 174.62 175.19 1k5g h PRO 106 N 0.69 -0.43 -4.47 3.99 0.11 -1.89 -3.28 132.00 126.73 1k5g h PRO 106 Ca -0.39 0.03 -0.71 0.00 0.11 0.00 0.00 66.00 65.04 1k5g h PRO 106 Cb 1.28 0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.41 1k5g h PRO 106 CO 0.48 -0.29 2.58 -0.12 -0.21 0.00 0.00 178.00 180.44 1k5g n MET 107 N -5.31 3.10 -3.56 1.05 1.56 -1.26 -4.85 117.12 107.85 1k5g n MET 107 Ca -0.09 -3.02 -0.16 0.00 -0.27 0.00 0.00 57.70 54.16 1k5g n MET 107 Cb 0.23 -3.27 -0.06 0.00 2.15 0.00 0.00 33.22 32.27 1k5g n MET 107 CO 0.00 0.00 0.00 1.41 -0.73 0.00 0.00 175.97 176.65 1k5g s MET 108 N 2.90 1.02 -0.13 2.12 0.00 -1.24 -4.99 119.30 118.98 1k5g s MET 108 Ca 0.47 0.06 -0.34 0.00 0.00 0.00 0.00 55.69 55.88 1k5g s MET 108 Cb 0.09 0.47 0.14 0.00 0.00 0.00 0.00 34.83 35.53 1k5g s MET 108 CO -0.02 -0.33 1.30 -1.83 0.00 0.00 0.00 175.02 174.14 1k5g s GLU 109 N -1.61 0.24 -0.19 4.11 1.03 -1.26 -4.99 118.70 116.02 1k5g s GLU 109 Ca -0.09 -0.12 -0.15 0.00 0.03 0.00 0.00 54.97 54.64 1k5g s GLU 109 Cb -0.01 0.09 -0.04 0.00 -0.80 0.00 0.00 34.13 33.37 1k5g s GLU 109 CO 0.06 -0.11 0.34 -0.51 -1.33 0.00 0.00 175.26 173.70 1k5g s LEU 110 N -2.55 4.17 -0.19 1.83 1.43 -1.26 -4.58 118.68 117.53 1k5g s LEU 110 Ca 0.12 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1k5g s LEU 110 Cb 0.02 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.85 1k5g s LEU 110 CO -0.04 -0.01 -0.16 -0.54 0.23 0.00 0.00 176.35 175.83 1k5g s LYS 111 N 1.04 2.58 0.29 1.70 1.02 -1.18 -4.94 119.74 120.26 1k5g s LYS 111 Ca 0.17 -0.84 -0.26 0.00 0.02 0.00 0.00 55.97 55.06 1k5g s LYS 111 Cb -0.14 -2.48 -0.15 0.00 -0.52 0.00 0.00 37.83 34.53 1k5g s LYS 111 CO 0.06 -0.30 0.52 -2.30 -0.92 0.00 0.00 175.35 172.42 1k5g n PRO 112 N 4.64 0.33 -1.35 -1.68 -0.02 -1.26 -2.24 135.00 133.42 1k5g n PRO 112 Ca -0.18 0.12 -0.38 0.00 -2.02 0.00 0.00 63.50 61.03 1k5g n PRO 112 Cb 0.48 -1.23 -0.02 0.00 -0.02 0.00 0.00 33.50 32.71 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 1.80 7.08 0.00 2.55 5.15 -1.06 -4.80 115.26 125.98 1k5g n ASN 113 Ca 0.14 -2.61 0.00 0.00 -0.60 0.00 0.00 54.58 51.51 1k5g n ASN 113 Cb 0.32 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.04 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 4.35 0.00 -1.67 5.20 0.00 -1.26 -4.40 120.51 122.74 1k5g n ALA 114 Ca 0.69 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.81 1k5g n ALA 114 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 1.83 0.36 0.00 0.00 -1.26 -4.83 107.32 103.42 1k5g s GLY 115 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1k5g s GLY 115 CO 0.00 0.46 0.00 -1.26 0.00 0.00 0.00 173.10 172.30 1k5g n SER 116 N -2.61 -5.50 0.00 1.64 2.88 -1.26 -4.92 113.62 103.85 1k5g n SER 116 Ca 0.08 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1k5g n SER 116 Cb 0.53 -2.79 0.00 0.00 -0.75 0.00 0.00 64.21 61.20 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 -1.78 0.51 0.00 -3.46 5.75 -1.26 -4.03 116.55 112.28 1k5g n ASP 117 Ca 0.00 -0.79 0.11 0.00 -0.01 0.00 0.00 54.79 54.10 1k5g n ASP 117 Cb 0.20 0.26 0.67 0.00 -1.03 0.00 0.00 41.12 41.23 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 -0.26 0.87 -4.02 0.11 1.74 -1.26 -4.79 116.66 109.04 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 -1.41 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 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 0.37 0.05 7.54 0.00 -1.26 0.03 121.76 126.49 1k5g s ALA 119 Ca 0.34 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1k5g s ALA 119 Cb 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1k5g s ALA 119 CO 0.26 -0.08 -0.08 -1.58 0.00 0.00 0.00 175.76 174.27 1k5g s TRP 120 N -1.42 0.76 0.49 0.00 0.52 -0.49 -2.57 118.94 116.23 1k5g s TRP 120 Ca -0.13 -0.55 0.05 0.00 0.02 0.00 0.00 56.10 55.49 1k5g s TRP 120 Cb -0.10 -0.45 -0.00 0.00 -1.15 0.00 0.00 33.47 31.77 1k5g s TRP 120 CO -0.00 -0.07 0.24 0.14 0.02 0.00 0.00 176.95 177.27 1k5g s VAL 121 N -1.66 1.74 0.00 4.03 -7.23 -0.95 -0.95 120.40 115.37 1k5g s VAL 121 Ca -0.06 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1k5g s VAL 121 Cb -0.08 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.44 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 -1.48 0.00 -4.18 2.82 2.14 -1.13 -3.09 117.44 112.52 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 31.07 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 4.79 -0.06 -0.67 3.04 -1.26 -1.99 114.94 118.78 1k5g s ASN 123 Ca 0.00 -0.32 -0.02 0.00 0.04 0.00 0.00 52.86 52.56 1k5g s ASN 123 Cb 0.00 -1.04 0.03 0.00 -1.54 0.00 0.00 41.25 38.70 1k5g s ASN 123 CO 0.00 0.13 0.04 -0.89 -3.04 0.00 0.00 177.10 173.34 1k5g s THR 124 N -1.50 0.10 0.61 -5.21 2.01 -0.86 -4.91 115.64 105.88 1k5g s THR 124 Ca 0.26 0.25 0.33 0.00 0.31 0.00 0.00 61.69 62.83 1k5g s THR 124 Cb -0.10 -0.35 0.38 0.00 0.01 0.00 0.00 72.50 72.43 1k5g s THR 124 CO 0.18 0.17 2.28 0.45 -0.69 0.00 0.00 174.62 177.00 1k5g h HIS 125 N 8.39 0.00 -0.91 4.92 -0.00 -1.90 -3.01 115.15 122.64 1k5g h HIS 125 Ca -0.15 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.32 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 0.00 -0.23 0.00 -0.00 0.00 0.00 177.93 178.15 1k5g s ALA 126 N -4.52 -2.45 0.33 2.45 0.00 -1.26 -4.14 121.76 112.16 1k5g s ALA 126 Ca -0.05 1.68 0.02 0.00 0.00 0.00 0.00 51.96 53.61 1k5g s ALA 126 Cb 0.15 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 1k5g s ALA 126 CO 0.51 -1.43 0.51 0.34 0.00 0.00 0.00 175.76 175.69 1k5g s ASP 127 N 2.87 6.28 -0.10 0.00 2.15 0.20 -4.54 116.67 123.53 1k5g s ASP 127 Ca 0.17 0.35 0.23 0.00 0.43 0.00 0.00 52.55 53.72 1k5g s ASP 127 Cb -0.14 -1.96 0.45 0.00 -0.30 0.00 0.00 42.92 40.97 1k5g s ASP 127 CO -0.21 -0.26 1.16 0.33 -0.17 0.00 0.00 175.17 176.03 1k5g n PHE 128 N -1.71 0.40 0.09 -5.34 7.35 -0.40 -1.75 117.46 116.12 1k5g n PHE 128 Ca -0.05 -1.06 0.01 0.00 -0.76 0.00 0.00 57.45 55.58 1k5g n PHE 128 Cb 0.56 -0.19 0.33 0.00 0.35 0.00 0.00 39.48 40.53 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 1.42 1.37 -0.56 3.13 0.00 -1.85 -2.13 119.26 120.63 1k5g h ALA 129 Ca -0.16 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1k5g h ALA 129 Cb 1.64 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 1k5g h ALA 129 CO 0.13 0.43 0.16 -0.25 0.00 0.00 0.00 179.25 179.73 1k5g n ASP 130 N -4.20 4.10 -2.66 0.00 8.00 -1.26 -4.68 116.55 115.84 1k5g n ASP 130 Ca -0.01 -3.31 -0.14 0.00 0.71 0.00 0.00 54.79 52.05 1k5g n ASP 130 Cb 0.32 -0.68 -0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 -0.49 -2.61 -3.67 -1.24 1.02 -0.80 -4.92 120.64 107.94 1k5g n GLU 131 Ca 0.36 0.53 -0.15 0.00 -0.02 0.00 0.00 57.16 57.88 1k5g n GLU 131 Cb 1.22 -5.15 -0.15 0.00 -0.02 0.00 0.00 31.44 27.34 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 5.33 1.01 -4.36 0.00 -0.02 -1.26 -4.59 135.00 131.12 1k5g n PRO 133 Ca -0.05 0.21 -0.19 0.00 -2.02 0.00 0.00 63.50 61.44 1k5g n PRO 133 Cb 0.50 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 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 7.11 0.76 -0.55 -0.52 1.02 -0.71 -4.89 119.74 121.96 1k5g s LYS 134 Ca 1.10 -0.31 -0.27 0.00 0.02 0.00 0.00 55.97 56.50 1k5g s LYS 134 Cb -0.69 -0.73 -0.01 0.00 -0.52 0.00 0.00 37.83 35.87 1k5g s LYS 134 CO 0.42 0.17 1.76 -2.14 -0.92 0.00 0.00 175.35 174.64 1k5g s PRO 135 N -0.12 2.91 -0.09 -1.68 0.02 -1.26 -0.63 135.00 134.14 1k5g s PRO 135 Ca 0.02 0.73 0.00 0.00 0.02 0.00 0.00 61.00 61.78 1k5g s PRO 135 Cb -0.04 -4.30 -0.03 0.00 0.02 0.00 0.00 34.50 30.15 1k5g s PRO 135 CO -0.00 -2.40 -0.08 -2.00 -0.33 0.00 0.00 177.00 172.19 1k5g s GLU 136 N 6.45 2.95 -0.56 5.54 2.56 -1.14 -4.99 118.70 129.51 1k5g s GLU 136 Ca 0.66 -0.58 -0.02 0.00 0.00 0.00 0.00 54.97 55.03 1k5g s GLU 136 Cb -0.14 -2.62 0.15 0.00 2.00 0.00 0.00 34.13 33.52 1k5g s GLU 136 CO 0.24 0.53 0.36 -1.17 -0.56 0.00 0.00 175.26 174.66 1k5g s LEU 137 N -0.45 5.16 0.00 2.70 0.20 -1.26 -2.02 118.68 123.00 1k5g s LEU 137 Ca 0.06 -2.66 -0.01 0.00 0.69 0.00 0.00 54.13 52.21 1k5g s LEU 137 Cb -0.12 -1.83 0.03 0.00 -0.43 0.00 0.00 46.19 43.84 1k5g s LEU 137 CO 0.02 -0.40 0.17 0.18 -0.29 0.00 0.00 176.35 176.03 1k5g n LEU 138 N 3.74 0.00 -3.25 -0.68 4.77 -0.84 -2.53 117.00 118.20 1k5g n LEU 138 Ca 0.05 -0.26 0.04 0.00 -0.03 0.00 0.00 56.01 55.80 1k5g n LEU 138 Cb 0.38 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1k5g n LEU 138 CO 0.33 -0.61 0.96 0.00 -1.33 0.00 0.00 177.39 176.74 1k5g s ALA 139 N -3.42 -3.22 0.07 -1.18 0.00 -1.04 -2.83 121.76 110.15 1k5g s ALA 139 Ca 0.11 1.80 0.08 0.00 0.00 0.00 0.00 51.96 53.95 1k5g s ALA 139 Cb -0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1k5g s ALA 139 CO 0.07 -0.86 -0.20 -1.50 0.00 0.00 0.00 175.76 173.27 1k5g s ILE 140 N 1.84 2.65 -0.04 0.00 2.07 -0.13 0.25 121.20 127.85 1k5g s ILE 140 Ca -0.01 -1.37 0.04 0.00 -1.41 0.00 0.00 60.65 57.90 1k5g s ILE 140 Cb -0.01 -2.14 -0.00 0.00 0.13 0.00 0.00 42.46 40.44 1k5g s ILE 140 CO -0.15 0.25 -0.14 -0.60 -1.91 0.00 0.00 174.94 172.39 1k5g s ARG 141 N -1.68 1.46 0.31 3.50 3.52 -0.31 -1.40 118.95 124.35 1k5g s ARG 141 Ca 0.15 -0.50 0.08 0.00 -0.13 0.00 0.00 55.73 55.34 1k5g s ARG 141 Cb -0.10 -1.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.95 1k5g s ARG 141 CO 0.06 0.20 0.14 -0.06 -0.81 0.00 0.00 175.30 174.84 1k5g s PHE 142 N 0.07 2.80 0.12 5.12 0.08 0.10 -1.87 117.98 124.40 1k5g s PHE 142 Ca -0.03 -0.29 -0.30 0.00 0.12 0.00 0.00 56.93 56.43 1k5g s PHE 142 Cb -0.10 -1.52 -0.09 0.00 -0.57 0.00 0.00 43.02 40.74 1k5g s PHE 142 CO 0.01 0.41 1.59 1.25 -0.10 0.00 0.00 175.22 178.38 1k5g h LEU 143 N 1.57 -1.21 -8.75 -0.37 5.85 -1.87 -3.43 115.31 107.10 1k5g h LEU 143 Ca -0.45 0.14 -0.70 0.00 0.84 0.00 0.00 57.88 57.72 1k5g h LEU 143 Cb 1.25 0.47 -0.27 0.00 0.37 0.00 0.00 40.66 42.48 1k5g h LEU 143 CO 0.61 -0.46 -0.85 0.20 -0.34 0.00 0.00 178.44 177.60 1k5g s ASN 144 N -4.76 3.42 0.49 1.25 0.01 -1.26 -5.03 114.94 109.06 1k5g s ASN 144 Ca -0.16 -0.40 0.25 0.00 -0.71 0.00 0.00 52.86 51.84 1k5g s ASN 144 Cb 0.08 -0.51 1.30 0.00 0.41 0.00 0.00 41.25 42.53 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 5.28 2.52 0.00 0.60 0.00 -1.89 0.22 119.26 125.99 1k5g h ALA 145 Ca -0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1k5g h ALA 145 Cb 1.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1k5g h ALA 145 CO 0.48 -0.78 -0.23 1.05 0.00 0.00 0.00 179.25 179.77 1k5g h GLU 146 N 0.17 0.00 -0.14 0.00 -0.00 -1.96 -2.54 114.58 110.12 1k5g h GLU 146 Ca 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.64 1k5g h GLU 146 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.12 1k5g h GLU 146 CO -0.08 0.23 -0.52 -0.91 -0.00 0.00 0.00 179.01 177.73 1k5g h ASN 147 N 0.00 0.43 -0.68 3.06 2.35 -0.97 -1.30 115.58 118.48 1k5g h ASN 147 Ca -0.00 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.47 1k5g h ASN 147 Cb 0.86 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1k5g h ASN 147 CO 0.03 0.87 0.23 0.00 -1.65 0.00 0.00 177.43 176.91 1k5g h ALA 148 N 1.14 1.09 -0.07 -0.83 0.00 -1.23 -0.70 119.26 118.65 1k5g h ALA 148 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1k5g h ALA 148 Cb 1.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1k5g h ALA 148 CO 0.09 0.63 -0.02 1.96 0.00 0.00 0.00 179.25 181.91 1k5g h GLN 149 N 1.03 0.14 -0.24 0.00 1.08 -1.28 0.54 115.11 116.38 1k5g h GLN 149 Ca 0.23 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.44 1k5g h GLN 149 Cb 0.27 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1k5g h GLN 149 CO -0.01 0.47 0.31 0.87 -0.95 0.00 0.00 178.83 179.52 1k5g h LYS 150 N -0.19 0.00 0.00 1.46 1.57 -0.87 0.77 116.57 119.30 1k5g h LYS 150 Ca 0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1k5g h LYS 150 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1k5g h LYS 150 CO 0.01 0.00 -0.36 0.35 -0.57 0.00 0.00 179.45 178.88 1k5g h PHE 151 N 0.00 0.00 -0.83 -1.35 3.57 -0.53 -3.17 116.94 114.64 1k5g h PHE 151 Ca 0.11 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1k5g h PHE 151 Cb 0.73 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 1k5g h PHE 151 CO 0.00 0.44 0.47 -0.22 -2.23 0.00 0.00 178.31 176.77 1k5g h LYS 152 N -1.00 0.77 0.47 1.11 3.64 0.99 1.03 116.57 123.58 1k5g h LYS 152 Ca -0.06 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1k5g h LYS 152 Cb 0.55 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1k5g h LYS 152 CO -0.04 0.51 -0.39 0.00 -2.27 0.00 0.00 179.45 177.27 1k5g h THR 153 N 0.80 0.22 -0.01 1.00 1.03 0.34 0.83 112.91 117.11 1k5g h THR 153 Ca 0.40 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.76 1k5g h THR 153 Cb 0.36 0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 67.65 1k5g h THR 153 CO -0.25 0.00 -0.18 0.50 -0.01 0.00 0.00 175.52 175.58 1k5g h LYS 154 N -0.85 0.02 -0.10 0.00 1.63 -1.34 -0.08 116.57 115.86 1k5g h LYS 154 Ca -0.05 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.54 1k5g h LYS 154 Cb 0.73 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1k5g h LYS 154 CO -0.02 0.20 -0.78 0.35 -3.45 0.00 0.00 179.45 175.76 1k5g h PHE 155 N 0.02 0.78 -0.01 1.91 3.57 0.18 -2.73 116.94 120.66 1k5g h PHE 155 Ca 0.00 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 1k5g h PHE 155 Cb 0.34 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1k5g h PHE 155 CO 0.00 1.15 -0.03 1.49 -2.23 0.00 0.00 178.31 178.70 1k5g h GLU 156 N 0.38 0.03 0.00 1.11 4.57 0.14 -0.20 114.58 120.62 1k5g h GLU 156 Ca -0.05 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1k5g h GLU 156 Cb 1.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 1k5g h GLU 156 CO 0.15 0.67 0.00 -0.85 -1.18 0.00 0.00 179.01 177.79 1k5g n GLU 157 N -4.75 0.57 -0.04 1.92 0.28 -0.11 0.24 120.64 118.76 1k5g n GLU 157 Ca -0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.89 1k5g n GLU 157 Cb 0.33 -1.23 -0.08 0.00 1.43 0.00 0.00 31.44 31.89 1k5g n GLU 157 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1k5g h ARG 159 N 0.00 0.00 -0.03 0.00 1.12 0.11 -3.25 114.38 112.32 1k5g h ARG 159 Ca -0.20 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.66 1k5g h ARG 159 Cb 1.30 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.26 1k5g h ARG 159 CO 0.01 0.77 -0.03 -0.22 -3.11 0.00 0.00 179.97 177.38 1k5g h LYS 160 N 0.00 0.07 0.00 0.20 3.64 -0.39 -2.38 116.57 117.71 1k5g h LYS 160 Ca -0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1k5g h LYS 160 Cb 1.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1k5g h LYS 160 CO 0.10 0.55 0.21 -1.91 -2.27 0.00 0.00 179.45 176.13 1k5g n GLU 161 N -4.79 0.10 -0.11 1.90 2.13 -1.23 -0.97 120.64 117.67 1k5g n GLU 161 Ca -0.08 0.57 -0.12 0.00 0.66 0.00 0.00 57.16 58.19 1k5g n GLU 161 Cb 0.28 -2.02 -0.15 0.00 0.27 0.00 0.00 31.44 29.81 1k5g n GLU 161 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1k5g n ILE 162 N -2.05 1.40 0.02 6.31 5.41 -1.07 -3.42 119.36 125.95 1k5g n ILE 162 Ca -0.01 -0.79 -0.14 0.00 1.00 0.00 0.00 62.75 62.81 1k5g n ILE 162 Cb 0.23 -0.68 -0.03 0.00 -0.71 0.00 0.00 39.64 38.46 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 0.58 -0.82 0.38 4.81 -0.59 -2.53 114.58 116.41 1k5g h GLU 163 Ca -0.55 -0.51 0.05 0.00 -0.13 0.00 0.00 59.36 58.23 1k5g h GLU 163 Cb 2.16 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 31.60 1k5g h GLU 163 CO 0.00 1.13 0.51 0.93 -0.73 0.00 0.00 179.01 180.85 1k5g h GLU 164 N 0.38 0.92 0.00 1.92 5.08 -1.24 -3.16 114.58 118.49 1k5g h GLU 164 Ca -0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1k5g h GLU 164 Cb 1.42 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1k5g h GLU 164 CO 0.15 0.61 0.00 -2.13 -1.00 0.00 0.00 179.01 176.64 1k5g n ARG 165 N -4.63 0.00 -0.87 2.33 0.63 -0.98 -4.43 116.66 108.72 1k5g n ARG 165 Ca 0.11 0.07 -0.33 0.00 -0.92 0.00 0.00 57.85 56.78 1k5g n ARG 165 Cb 0.15 -0.63 -0.08 0.00 0.45 0.00 0.00 32.46 32.35 1k5g n ARG 165 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1k5g n GLU 166 N -0.20 0.00 0.00 -0.14 0.00 -1.05 -5.08 120.64 114.16 1k5g n GLU 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1k5g n GLU 166 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1k5g n GLU 166 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76