#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rki s LYS 2 N 0.00 4.72 0.48 2.12 1.02 -1.26 -4.16 119.74 122.65 1rki s LYS 2 Ca 0.00 1.69 0.04 0.00 0.02 0.00 0.00 55.97 57.72 1rki s LYS 2 Cb 0.00 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1rki s LYS 2 CO 0.00 0.32 0.10 0.15 -0.92 0.00 0.00 175.35 175.00 1rki s LYS 3 N -1.32 2.16 -0.32 1.68 -0.14 -0.69 -4.93 119.74 116.19 1rki s LYS 3 Ca 0.43 -2.17 0.03 0.00 -1.36 0.00 0.00 55.97 52.90 1rki s LYS 3 Cb -0.30 -1.73 0.09 0.00 -1.68 0.00 0.00 37.83 34.21 1rki s LYS 3 CO 0.38 -0.29 0.02 -1.01 -0.76 0.00 0.00 175.35 173.70 1rki s HIS 4 N -2.77 3.29 -0.13 3.18 3.76 -0.59 -3.02 115.29 119.00 1rki s HIS 4 Ca 0.23 -2.62 -0.02 0.00 -0.15 0.00 0.00 55.06 52.50 1rki s HIS 4 Cb 0.03 -2.50 -0.03 0.00 1.11 0.00 0.00 32.58 31.20 1rki s HIS 4 CO 0.13 -0.91 -0.05 0.42 -0.85 0.00 0.00 174.74 173.48 1rki s ILE 5 N 1.07 3.82 -0.26 0.60 1.01 -0.44 -0.50 121.20 126.51 1rki s ILE 5 Ca 0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 1rki s ILE 5 Cb -0.19 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1rki s ILE 5 CO -0.10 0.53 0.11 -0.63 0.00 0.00 0.00 174.94 174.85 1rki s ILE 6 N 0.00 4.65 -0.24 2.92 1.01 -0.14 -1.47 121.20 127.94 1rki s ILE 6 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.49 1rki s ILE 6 Cb -0.13 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1rki s ILE 6 CO 0.03 0.31 0.16 -0.63 0.00 0.00 0.00 174.94 174.81 1rki s ILE 7 N 1.65 5.36 -0.19 2.92 1.01 0.10 -0.30 121.20 131.76 1rki s ILE 7 Ca 0.07 0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.68 1rki s ILE 7 Cb -0.15 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1rki s ILE 7 CO 0.06 0.35 0.70 -0.75 0.00 0.00 0.00 174.94 175.30 1rki s LYS 8 N 1.00 4.24 0.44 2.79 2.47 0.07 -1.15 119.74 129.59 1rki s LYS 8 Ca 0.08 0.75 0.07 0.00 -1.56 0.00 0.00 55.97 55.31 1rki s LYS 8 Cb -0.13 -3.58 -0.03 0.00 -1.46 0.00 0.00 37.83 32.63 1rki s LYS 8 CO 0.04 -0.27 0.26 0.95 0.16 0.00 0.00 175.35 176.49 1rki s THR 9 N 1.98 2.21 0.67 3.43 -4.23 0.20 -0.73 115.64 119.17 1rki s THR 9 Ca 0.32 -1.60 -0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1rki s THR 9 Cb -0.16 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1rki s THR 9 CO 0.11 0.00 1.13 0.27 -0.54 0.00 0.00 174.62 175.59 1rki s ILE 10 N -2.62 3.02 0.51 2.99 -4.36 -0.57 -4.72 121.20 115.46 1rki s ILE 10 Ca 0.40 0.49 -0.23 0.00 -0.26 0.00 0.00 60.65 61.05 1rki s ILE 10 Cb 0.01 -3.02 -0.07 0.00 1.25 0.00 0.00 42.46 40.63 1rki s ILE 10 CO 0.23 -0.28 1.31 -2.65 0.24 0.00 0.00 174.94 173.78 1rki n PRO 11 N -2.42 1.76 -0.25 0.37 -0.02 -1.26 -3.40 135.00 129.77 1rki n PRO 11 Ca 0.11 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1rki n PRO 11 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1rki n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1rki n LYS 12 N -0.62 0.00 -0.46 -0.52 4.76 -1.26 -4.84 118.16 115.23 1rki n LYS 12 Ca 0.09 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.61 1rki n LYS 12 Cb 0.43 -1.68 0.27 0.00 -1.84 0.00 0.00 35.03 32.21 1rki n LYS 12 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1rki n LYS 13 N -2.00 3.25 0.11 1.97 4.76 -1.22 -4.76 118.16 120.27 1rki n LYS 13 Ca 0.00 -2.70 -0.12 0.00 -2.87 0.00 0.00 58.31 52.62 1rki n LYS 13 Cb 0.00 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 31.37 1rki n LYS 13 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rki h GLU 14 N 2.46 -0.33 -0.24 1.97 3.07 -1.88 -1.53 114.58 118.09 1rki h GLU 14 Ca 0.00 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1rki h GLU 14 Cb 1.33 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.29 1rki h GLU 14 CO 0.20 -0.22 0.09 1.49 -1.40 0.00 0.00 179.01 179.17 1rki h GLU 15 N -0.34 0.20 -0.59 2.33 4.81 -1.95 -1.18 114.58 117.87 1rki h GLU 15 Ca 0.02 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1rki h GLU 15 Cb 0.35 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1rki h GLU 15 CO -0.08 0.14 0.11 0.97 -0.73 0.00 0.00 179.01 179.41 1rki h ILE 16 N 0.21 1.26 -0.82 2.32 2.10 -1.89 -2.00 117.51 118.69 1rki h ILE 16 Ca 0.10 -0.97 -0.03 0.00 1.08 0.00 0.00 64.86 65.04 1rki h ILE 16 Cb 0.06 0.74 -0.04 0.00 -1.09 0.00 0.00 36.82 36.49 1rki h ILE 16 CO -0.10 0.36 0.40 0.40 -1.08 0.00 0.00 178.15 178.14 1rki h ILE 17 N 0.88 1.25 -0.31 2.19 2.04 -1.15 -1.19 117.51 121.21 1rki h ILE 17 Ca 0.18 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1rki h ILE 17 Cb 0.41 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1rki h ILE 17 CO 0.01 0.30 0.15 -1.28 0.00 0.00 0.00 178.15 177.33 1rki h SER 18 N 1.16 0.42 -0.43 1.72 0.87 -1.11 -0.38 113.55 115.81 1rki h SER 18 Ca 0.28 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1rki h SER 18 Cb 0.11 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1rki h SER 18 CO -0.04 0.44 0.21 -0.09 -0.53 0.00 0.00 176.83 176.81 1rki h ARG 19 N 0.37 0.62 -0.03 2.24 2.43 -1.13 -2.44 114.38 116.44 1rki h ARG 19 Ca 0.11 -0.09 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 1rki h ARG 19 Cb 0.13 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1rki h ARG 19 CO -0.01 0.53 -0.85 -0.44 -1.51 0.00 0.00 179.97 177.69 1rki h ASP 20 N 0.55 0.48 -0.57 -3.80 3.32 -1.07 -2.60 116.42 112.74 1rki h ASP 20 Ca 0.15 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 1rki h ASP 20 Cb 0.12 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1rki h ASP 20 CO -0.02 1.13 -0.06 0.25 -1.72 0.00 0.00 179.24 178.82 1rki h LEU 21 N 0.24 1.04 -1.03 1.55 5.85 -1.05 -1.79 115.31 120.12 1rki h LEU 21 Ca -0.06 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1rki h LEU 21 Cb 1.46 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1rki h LEU 21 CO 0.14 1.12 0.05 0.00 -0.34 0.00 0.00 178.44 179.42 1rki h ASP 23 N 0.72 0.00 0.15 0.00 3.32 -1.26 -1.63 116.42 117.72 1rki h ASP 23 Ca 0.15 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.00 1rki h ASP 23 Cb 0.36 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.93 1rki h ASP 23 CO 0.01 0.34 -0.88 0.00 -1.72 0.00 0.00 179.24 176.99 1rki h ILE 25 N -0.30 1.10 -0.85 0.00 2.04 -0.87 -3.33 117.51 115.30 1rki h ILE 25 Ca -0.15 -2.09 0.22 0.00 1.00 0.00 0.00 64.86 63.83 1rki h ILE 25 Cb 1.69 2.23 -0.14 0.00 -0.74 0.00 0.00 36.82 39.86 1rki h ILE 25 CO 0.17 0.53 0.16 0.22 0.00 0.00 0.00 178.15 179.22 1rki h TYR 26 N 0.00 0.21 -0.79 1.37 3.20 -1.45 0.15 116.97 119.66 1rki h TYR 26 Ca -0.01 0.05 0.18 0.00 3.14 0.00 0.00 58.73 62.09 1rki h TYR 26 Cb 1.19 0.04 -0.11 0.00 1.54 0.00 0.00 36.73 39.39 1rki h TYR 26 CO 0.00 -0.23 0.25 -0.92 -1.64 0.00 0.00 178.16 175.61 1rki h TYR 27 N 0.17 0.39 0.00 -3.82 3.20 -1.81 -2.44 116.97 112.66 1rki h TYR 27 Ca 0.51 0.04 -0.22 0.00 3.14 0.00 0.00 58.73 62.20 1rki h TYR 27 Cb 1.00 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 1rki h TYR 27 CO -0.33 -0.07 -1.17 1.88 -1.64 0.00 0.00 178.16 176.84 1rki h TYR 28 N 0.32 0.00 -1.60 -3.82 -1.99 -1.01 -3.44 116.97 105.43 1rki h TYR 28 Ca 0.46 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 61.01 1rki h TYR 28 Cb 0.80 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 39.26 1rki h TYR 28 CO -0.22 0.95 -0.53 0.34 -0.00 0.00 0.00 178.16 178.70 1rki s ASP 29 N -6.49 0.11 0.11 3.88 3.68 -0.37 -5.02 116.67 112.57 1rki s ASP 29 Ca -0.00 -0.48 0.17 0.00 2.13 0.00 0.00 52.55 54.36 1rki s ASP 29 Cb 0.09 1.21 0.72 0.00 -1.45 0.00 0.00 42.92 43.49 1rki s ASP 29 CO 0.82 -0.33 1.52 0.59 0.13 0.00 0.00 175.17 177.90 1rki n ASN 30 N 5.18 0.27 -0.68 -0.34 5.03 -1.13 -2.13 115.26 121.44 1rki n ASN 30 Ca 0.03 0.57 0.11 0.00 0.87 0.00 0.00 54.58 56.16 1rki n ASN 30 Cb 0.50 -0.63 0.33 0.00 -1.02 0.00 0.00 39.78 38.96 1rki n ASN 30 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1rki n SER 31 N -1.80 2.05 -4.74 6.41 7.64 -1.26 -5.01 113.62 116.91 1rki n SER 31 Ca 0.02 -1.78 -0.38 0.00 1.01 0.00 0.00 58.87 57.74 1rki n SER 31 Cb 0.17 -0.14 0.05 0.00 -1.01 0.00 0.00 64.21 63.28 1rki n SER 31 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rki s VAL 32 N -1.72 2.09 -0.06 0.44 0.11 -0.91 -4.99 120.40 115.37 1rki s VAL 32 Ca 0.33 0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.48 1rki s VAL 32 Cb 0.18 -3.03 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 1rki s VAL 32 CO 0.27 -0.01 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.26 1rki s ILE 33 N -1.35 1.25 0.04 7.04 1.01 -1.14 -5.01 121.20 123.04 1rki s ILE 33 Ca 0.76 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1rki s ILE 33 Cb -0.39 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1rki s ILE 33 CO 0.44 0.37 -0.11 0.00 0.00 0.00 0.00 174.94 175.64 1rki s LYS 35 N -1.26 0.77 0.22 0.00 -2.85 -0.36 -4.97 119.74 111.29 1rki s LYS 35 Ca -0.02 -0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.53 1rki s LYS 35 Cb -0.08 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 35.95 1rki s LYS 35 CO 0.01 -0.22 1.18 -1.25 0.10 0.00 0.00 175.35 175.17 1rki s PRO 36 N -1.40 4.52 0.00 1.78 0.04 -1.26 -0.85 135.00 137.84 1rki s PRO 36 Ca -0.12 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1rki s PRO 36 Cb -0.04 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1rki s PRO 36 CO 0.05 -0.01 0.00 1.51 0.04 0.00 0.00 177.00 178.58 1rki n ILE 37 N 2.00 0.00 -3.90 0.56 3.06 -0.59 -4.89 119.36 115.59 1rki n ILE 37 Ca 0.02 -0.03 -0.01 0.00 -2.50 0.00 0.00 62.75 60.23 1rki n ILE 37 Cb 0.44 0.43 0.02 0.00 0.54 0.00 0.00 39.64 41.07 1rki n ILE 37 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1rki n GLY 38 N 1.80 0.53 3.68 4.50 0.00 -1.10 -3.35 105.19 111.26 1rki n GLY 38 Ca 0.00 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1rki n GLY 38 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rki n PRO 39 N -0.72 2.69 -1.76 1.61 -0.02 -1.26 -1.61 135.00 133.93 1rki n PRO 39 Ca -0.00 0.98 -0.20 0.00 -2.02 0.00 0.00 63.50 62.26 1rki n PRO 39 Cb 0.53 -2.87 -0.07 0.00 -0.02 0.00 0.00 33.50 31.07 1rki n PRO 39 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1rki n SER 40 N 5.92 -5.48 -3.90 2.55 7.64 -1.26 -4.99 113.62 114.10 1rki n SER 40 Ca 0.19 0.38 -0.18 0.00 1.01 0.00 0.00 58.87 60.26 1rki n SER 40 Cb 0.36 -4.69 -0.16 0.00 -1.01 0.00 0.00 64.21 58.72 1rki n SER 40 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1rki s LYS 41 N -3.99 0.63 -0.06 1.43 -0.14 -0.63 -0.63 119.74 116.36 1rki s LYS 41 Ca 0.00 -0.11 0.05 0.00 -1.36 0.00 0.00 55.97 54.55 1rki s LYS 41 Cb 0.00 -0.66 -0.01 0.00 -1.68 0.00 0.00 37.83 35.48 1rki s LYS 41 CO 0.00 -0.03 -0.21 0.08 -0.76 0.00 0.00 175.35 174.43 1rki s VAL 42 N 0.61 1.75 -0.15 3.17 1.01 -0.30 -1.55 120.40 124.93 1rki s VAL 42 Ca -0.07 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 1rki s VAL 42 Cb -0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1rki s VAL 42 CO -0.00 0.49 0.39 -0.47 0.00 0.00 0.00 175.10 175.51 1rki s TYR 43 N 0.00 3.46 -0.02 5.22 5.04 -0.03 0.01 117.35 131.04 1rki s TYR 43 Ca -0.05 0.72 0.03 0.00 -2.44 0.00 0.00 57.07 55.33 1rki s TYR 43 Cb -0.13 -2.47 -0.00 0.00 0.35 0.00 0.00 41.96 39.70 1rki s TYR 43 CO 0.03 0.15 -0.10 0.08 -1.34 0.00 0.00 175.55 174.38 1rki s VAL 44 N 0.72 0.84 -0.28 3.14 1.01 -0.54 -1.22 120.40 124.07 1rki s VAL 44 Ca 0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1rki s VAL 44 Cb -0.14 -0.72 0.05 0.00 0.00 0.00 0.00 36.38 35.56 1rki s VAL 44 CO 0.07 0.25 -0.04 -0.55 0.00 0.00 0.00 175.10 174.83 1rki s SER 45 N -0.05 4.65 0.21 3.32 0.15 -0.33 -1.32 113.70 120.34 1rki s SER 45 Ca 0.01 -1.21 -0.22 0.00 0.70 0.00 0.00 55.95 55.22 1rki s SER 45 Cb -0.06 -1.66 0.07 0.00 -1.71 0.00 0.00 66.02 62.65 1rki s SER 45 CO 0.00 -0.21 0.95 0.28 1.20 0.00 0.00 173.24 175.46 1rki s THR 46 N 1.23 0.00 0.59 6.45 -1.32 -1.17 -2.89 115.64 118.53 1rki s THR 46 Ca -0.05 -0.71 -0.18 0.00 -1.21 0.00 0.00 61.69 59.54 1rki s THR 46 Cb -0.19 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.22 1rki s THR 46 CO -0.03 0.00 1.16 -0.94 -2.21 0.00 0.00 174.62 172.61 1rki s SER 47 N -3.17 5.34 0.28 8.08 1.04 -1.26 -1.70 113.70 122.32 1rki s SER 47 Ca 0.17 2.25 0.01 0.00 0.48 0.00 0.00 55.95 58.86 1rki s SER 47 Cb -0.03 -2.59 0.42 0.00 0.10 0.00 0.00 66.02 63.93 1rki s SER 47 CO 0.05 -1.48 1.78 0.25 0.98 0.00 0.00 173.24 174.82 1rki h LEU 48 N 0.84 0.62 -0.71 2.42 5.85 -1.96 -2.47 115.31 119.91 1rki h LEU 48 Ca -0.50 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 1rki h LEU 48 Cb 1.28 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1rki h LEU 48 CO 0.55 0.74 0.43 1.05 -0.34 0.00 0.00 178.44 180.87 1rki h GLU 49 N 0.60 0.96 -0.52 1.25 4.11 -1.96 0.01 114.58 119.03 1rki h GLU 49 Ca 0.11 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.38 1rki h GLU 49 Cb 0.48 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1rki h GLU 49 CO 0.03 0.68 0.02 -0.91 0.07 0.00 0.00 179.01 178.90 1rki h ASN 50 N 0.96 0.88 -0.32 3.06 2.35 -1.87 -1.76 115.58 118.87 1rki h ASN 50 Ca 0.25 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1rki h ASN 50 Cb -0.03 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1rki h ASN 50 CO -0.05 0.96 0.21 0.25 -1.65 0.00 0.00 177.43 177.15 1rki h LEU 51 N 0.77 0.36 -0.98 1.61 5.85 -1.05 -3.02 115.31 118.86 1rki h LEU 51 Ca 0.15 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1rki h LEU 51 Cb 0.50 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1rki h LEU 51 CO 0.02 0.26 -0.24 1.05 -0.34 0.00 0.00 178.44 179.19 1rki h GLU 52 N 0.43 0.45 -0.65 1.25 -0.00 -0.87 0.84 114.58 116.02 1rki h GLU 52 Ca 0.12 -0.16 0.06 0.00 -0.00 0.00 0.00 59.36 59.38 1rki h GLU 52 Cb -0.04 -0.03 -0.04 0.00 -0.00 0.00 0.00 28.75 28.64 1rki h GLU 52 CO -0.03 0.67 0.43 0.87 -0.00 0.00 0.00 179.01 180.94 1rki h LYS 53 N 0.40 0.63 0.18 1.06 1.57 -1.19 -2.52 116.57 116.70 1rki h LYS 53 Ca 0.06 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.48 1rki h LYS 53 Cb 0.64 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1rki h LYS 53 CO 0.05 0.42 -1.54 0.00 -0.57 0.00 0.00 179.45 177.80 1rki h LEU 55 N -0.02 0.00 0.00 0.00 3.38 -0.70 -1.92 115.31 116.04 1rki h LEU 55 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1rki h LEU 55 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1rki h LEU 55 CO 0.17 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.75 1rki n GLN 56 N -3.42 0.08 -2.15 1.13 10.64 -0.96 -3.37 117.38 119.32 1rki n GLN 56 Ca -0.02 0.02 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 1rki n GLN 56 Cb 0.19 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.08 1rki n GLN 56 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1rki s LEU 57 N -2.91 3.82 0.27 2.61 1.43 -0.72 -4.83 118.68 118.33 1rki s LEU 57 Ca 0.16 2.33 -0.01 0.00 -1.03 0.00 0.00 54.13 55.58 1rki s LEU 57 Cb 0.18 -4.45 0.57 0.00 0.03 0.00 0.00 46.19 42.52 1rki s LEU 57 CO 0.49 -1.25 1.73 -0.74 0.23 0.00 0.00 176.35 176.81 1rki h HIS 58 N 1.41 0.63 -0.91 0.29 -0.00 -1.89 -1.55 115.15 113.13 1rki h HIS 58 Ca -0.50 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 59.92 1rki h HIS 58 Cb 1.27 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 28.48 1rki h HIS 58 CO 0.50 0.06 0.60 -0.92 -0.00 0.00 0.00 177.93 178.18 1rki h TYR 59 N 0.48 1.14 0.04 5.26 3.20 -1.93 -2.97 116.97 122.19 1rki h TYR 59 Ca 0.48 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 62.07 1rki h TYR 59 Cb 0.78 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1rki h TYR 59 CO -0.14 0.71 -1.69 0.74 -1.64 0.00 0.00 178.16 176.14 1rki h PHE 60 N 1.22 0.15 -0.95 -3.82 -1.00 -1.59 -3.31 116.94 107.65 1rki h PHE 60 Ca 0.34 -0.11 0.18 0.00 2.81 0.00 0.00 57.97 61.19 1rki h PHE 60 Cb -0.12 -0.01 -0.11 0.00 3.61 0.00 0.00 35.95 39.33 1rki h PHE 60 CO -0.00 1.20 0.53 0.87 -1.61 0.00 0.00 178.31 179.31 1rki h LYS 61 N 0.02 0.66 0.00 1.51 1.57 -1.17 -1.17 116.57 117.99 1rki h LYS 61 Ca -0.29 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.38 1rki h LYS 61 Cb 2.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 1rki h LYS 61 CO 0.10 0.43 -0.35 0.87 -0.57 0.00 0.00 179.45 179.93 1rki h LYS 62 N 0.68 0.00 0.00 3.15 1.57 -1.62 -3.31 116.57 117.04 1rki h LYS 62 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1rki h LYS 62 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1rki h LYS 62 CO -0.40 0.35 -1.04 1.28 -0.57 0.00 0.00 179.45 179.07 1rki n LEU 63 N -3.68 0.58 -4.31 2.94 4.77 -0.51 -4.90 117.00 111.90 1rki n LEU 63 Ca -0.01 -0.37 -0.33 0.00 -0.03 0.00 0.00 56.01 55.27 1rki n LEU 63 Cb 0.45 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 1rki n LEU 63 CO 0.36 0.14 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.39 1rki s VAL 64 N -2.73 2.66 -0.22 4.08 1.01 -0.80 -1.51 120.40 122.90 1rki s VAL 64 Ca 0.03 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1rki s VAL 64 Cb 0.12 -2.09 -0.18 0.00 0.00 0.00 0.00 36.38 34.23 1rki s VAL 64 CO 0.69 0.54 -0.01 0.29 0.00 0.00 0.00 175.10 176.61 1rki n LYS 65 N 3.58 0.64 -3.83 2.72 5.02 0.09 -4.88 118.16 121.51 1rki n LYS 65 Ca -0.19 0.31 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 1rki n LYS 65 Cb 0.53 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1rki n LYS 65 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rki s ASN 66 N -7.00 -0.14 0.11 4.39 4.22 -1.18 -5.01 114.94 110.34 1rki s ASN 66 Ca -0.31 -0.71 0.03 0.00 -2.14 0.00 0.00 52.86 49.72 1rki s ASN 66 Cb 0.09 0.68 -0.04 0.00 1.28 0.00 0.00 41.25 43.26 1rki s ASN 66 CO 0.61 -1.30 -0.08 0.27 -2.04 0.00 0.00 177.10 174.56 1rki s ILE 67 N -3.16 0.84 -0.04 0.54 -4.36 -1.26 -0.76 121.20 112.99 1rki s ILE 67 Ca 0.14 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 1rki s ILE 67 Cb -0.04 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 41.97 1rki s ILE 67 CO 0.07 -0.83 -0.02 -1.61 0.24 0.00 0.00 174.94 172.79 1rki s GLU 68 N -3.78 0.65 -0.18 0.37 2.02 0.60 -4.99 118.70 113.39 1rki s GLU 68 Ca 0.13 -0.02 -0.07 0.00 0.02 0.00 0.00 54.97 55.03 1rki s GLU 68 Cb 0.04 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 1rki s GLU 68 CO -0.03 -0.13 0.04 0.42 0.02 0.00 0.00 175.26 175.58 1rki s ILE 69 N 1.12 4.54 0.25 -1.63 1.01 -1.26 -0.97 121.20 124.25 1rki s ILE 69 Ca -0.08 -0.12 0.11 0.00 0.00 0.00 0.00 60.65 60.56 1rki s ILE 69 Cb -0.14 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1rki s ILE 69 CO -0.01 0.46 -0.21 -0.36 0.00 0.00 0.00 174.94 174.82 1rki s PHE 70 N 0.46 2.24 -0.08 3.97 0.40 0.35 -4.90 117.98 120.41 1rki s PHE 70 Ca 0.01 -0.36 0.11 0.00 -0.60 0.00 0.00 56.93 56.09 1rki s PHE 70 Cb -0.13 -1.02 -0.24 0.00 0.51 0.00 0.00 43.02 42.15 1rki s PHE 70 CO 0.01 0.62 0.51 -0.25 0.70 0.00 0.00 175.22 176.81 1rki n ASP 71 N -0.32 0.93 -3.99 1.36 8.00 -0.12 -1.55 116.55 120.86 1rki n ASP 71 Ca -0.08 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.65 1rki n ASP 71 Cb 0.59 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.58 1rki n ASP 71 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rki s GLU 72 N -2.57 0.47 -0.00 -1.24 2.02 -0.78 -4.76 118.70 111.84 1rki s GLU 72 Ca -0.09 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.15 1rki s GLU 72 Cb 0.08 0.17 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 1rki s GLU 72 CO 0.81 -0.10 -0.15 0.54 0.02 0.00 0.00 175.26 176.39 1rki s VAL 73 N -2.42 1.20 0.03 2.63 0.11 -1.26 -1.04 120.40 119.63 1rki s VAL 73 Ca -0.07 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 1rki s VAL 73 Cb -0.03 -1.01 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1rki s VAL 73 CO -0.04 0.28 -0.06 -1.00 -3.33 0.00 0.00 175.10 170.95 1rki s HIS 74 N -0.44 0.52 -0.74 1.54 3.76 -0.20 -5.00 115.29 114.73 1rki s HIS 74 Ca 0.05 -0.37 0.25 0.00 -0.15 0.00 0.00 55.06 54.84 1rki s HIS 74 Cb -0.06 -0.32 0.43 0.00 1.11 0.00 0.00 32.58 33.73 1rki s HIS 74 CO -0.00 -0.08 1.38 0.09 -0.85 0.00 0.00 174.74 175.28 1rki n ASN 75 N 1.95 0.62 -4.54 1.40 3.02 -1.26 -0.73 115.26 115.72 1rki n ASN 75 Ca -0.20 0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.16 1rki n ASN 75 Cb 0.56 0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.78 1rki n ASN 75 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rki s SER 76 N -3.89 4.00 -0.00 6.41 0.15 -1.26 -4.83 113.70 114.28 1rki s SER 76 Ca 0.08 -0.80 -0.36 0.00 0.70 0.00 0.00 55.95 55.57 1rki s SER 76 Cb 0.15 -0.55 -0.14 0.00 -1.71 0.00 0.00 66.02 63.77 1rki s SER 76 CO 0.71 0.05 1.64 0.29 1.20 0.00 0.00 173.24 177.12 1rki n LYS 77 N -0.49 1.75 -1.15 5.44 5.02 -1.26 -4.82 118.16 122.67 1rki n LYS 77 Ca -0.07 0.64 -0.30 0.00 -2.02 0.00 0.00 58.31 56.55 1rki n LYS 77 Cb 0.58 -2.38 0.12 0.00 -0.02 0.00 0.00 35.03 33.33 1rki n LYS 77 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1rki s PRO 78 N 2.17 1.64 0.00 1.97 0.02 -1.26 -4.98 135.00 134.56 1rki s PRO 78 Ca 0.87 1.08 0.19 0.00 0.02 0.00 0.00 61.00 63.16 1rki s PRO 78 Cb -0.81 -1.83 0.13 0.00 0.02 0.00 0.00 34.50 32.01 1rki s PRO 78 CO 0.49 -2.05 1.07 0.27 -0.33 0.00 0.00 177.00 176.45 1rki n ASN 79 N -3.79 2.47 -4.80 2.53 2.04 -1.26 -5.00 115.26 107.46 1rki n ASN 79 Ca 0.08 -1.74 -0.34 0.00 -0.44 0.00 0.00 54.58 52.15 1rki n ASN 79 Cb 0.54 0.04 -0.01 0.00 -2.53 0.00 0.00 39.78 37.81 1rki n ASN 79 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1rki n ASP 81 N -1.36 1.67 -3.67 0.00 8.00 -1.26 -4.82 116.55 115.11 1rki n ASP 81 Ca 0.09 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.28 1rki n ASP 81 Cb 0.52 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1rki n ASP 81 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rki n LYS 82 N -3.40 3.64 -3.52 -1.24 5.02 -1.26 -4.83 118.16 112.58 1rki n LYS 82 Ca -0.27 -3.08 -0.08 0.00 -2.02 0.00 0.00 58.31 52.85 1rki n LYS 82 Cb 0.72 -2.94 -0.02 0.00 -0.02 0.00 0.00 35.03 32.78 1rki n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rki s LEU 84 N -2.56 4.12 -0.18 0.00 2.96 -0.38 -4.98 118.68 117.66 1rki s LEU 84 Ca 0.05 0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1rki s LEU 84 Cb -0.01 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.36 1rki s LEU 84 CO -0.08 -0.02 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.20 1rki s ILE 85 N 1.28 3.11 -0.11 6.68 1.01 -1.26 -1.28 121.20 130.64 1rki s ILE 85 Ca 0.13 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1rki s ILE 85 Cb -0.14 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 1rki s ILE 85 CO 0.07 0.48 -0.21 -0.69 0.00 0.00 0.00 174.94 174.58 1rki s VAL 86 N 0.98 2.31 -0.22 2.92 1.01 -0.44 -4.97 120.40 121.98 1rki s VAL 86 Ca -0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1rki s VAL 86 Cb -0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1rki s VAL 86 CO -0.01 0.55 0.11 -0.70 0.00 0.00 0.00 175.10 175.05 1rki s GLU 87 N 0.33 3.93 -0.09 2.72 2.12 -1.26 -0.44 118.70 126.00 1rki s GLU 87 Ca -0.17 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 54.77 1rki s GLU 87 Cb -0.17 -3.38 0.05 0.00 0.26 0.00 0.00 34.13 30.88 1rki s GLU 87 CO 0.08 0.06 0.21 0.42 -0.54 0.00 0.00 175.26 175.49 1rki s ILE 88 N 1.00 -0.11 0.00 -3.70 1.01 -0.23 -4.95 121.20 114.23 1rki s ILE 88 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1rki s ILE 88 Cb -0.14 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1rki s ILE 88 CO 0.03 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1rki n GLY 89 N 4.45 2.02 1.68 6.18 0.00 -1.21 -2.43 105.19 115.88 1rki n GLY 89 Ca -0.22 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 1rki n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rki n GLY 90 N 0.00 4.90 3.78 -0.02 0.00 -1.26 -5.00 105.19 107.60 1rki n GLY 90 Ca 0.00 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1rki n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rki s VAL 91 N -3.45 4.99 -0.26 1.61 1.01 -1.02 -4.79 120.40 118.49 1rki s VAL 91 Ca 0.51 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 1rki s VAL 91 Cb 0.44 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1rki s VAL 91 CO 0.04 0.60 0.11 -0.31 0.00 0.00 0.00 175.10 175.54 1rki s TYR 92 N -0.86 3.13 -0.15 5.22 1.51 0.09 -1.06 117.35 125.23 1rki s TYR 92 Ca 0.13 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.82 1rki s TYR 92 Cb -0.12 -2.29 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 1rki s TYR 92 CO 0.03 -0.31 0.17 -0.06 -1.11 0.00 0.00 175.55 174.27 1rki s PHE 93 N 1.66 3.52 -0.09 2.71 0.40 0.41 -1.03 117.98 125.56 1rki s PHE 93 Ca 0.06 0.50 0.04 0.00 -0.60 0.00 0.00 56.93 56.93 1rki s PHE 93 Cb -0.15 -2.09 -0.00 0.00 0.51 0.00 0.00 43.02 41.28 1rki s PHE 93 CO 0.06 0.51 -0.23 0.08 0.70 0.00 0.00 175.22 176.33 1rki s VAL 94 N -0.34 1.99 -0.24 -0.44 1.01 -0.21 -1.33 120.40 120.84 1rki s VAL 94 Ca 0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1rki s VAL 94 Cb -0.12 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1rki s VAL 94 CO 0.02 0.55 -0.07 -0.60 0.00 0.00 0.00 175.10 175.00 1rki s ARG 95 N 0.23 2.89 0.45 2.72 3.52 -0.40 -0.94 118.95 127.41 1rki s ARG 95 Ca -0.15 -0.94 -0.21 0.00 -0.13 0.00 0.00 55.73 54.30 1rki s ARG 95 Cb -0.17 -2.94 -0.09 0.00 -1.56 0.00 0.00 34.95 30.19 1rki s ARG 95 CO 0.07 -0.37 1.02 1.03 -0.81 0.00 0.00 175.30 176.25 1rki s ARG 96 N 1.33 3.99 -0.16 5.12 1.81 -1.26 -1.25 118.95 128.53 1rki s ARG 96 Ca 0.01 1.35 -0.26 0.00 -1.72 0.00 0.00 55.73 55.11 1rki s ARG 96 Cb -0.16 -2.23 -0.01 0.00 -0.45 0.00 0.00 34.95 32.09 1rki s ARG 96 CO -0.05 -0.27 0.88 0.08 -0.68 0.00 0.00 175.30 175.26 1rki s VAL 97 N -1.93 4.85 0.41 3.52 1.01 -1.11 -4.91 120.40 122.24 1rki s VAL 97 Ca 0.64 1.74 -0.26 0.00 0.00 0.00 0.00 61.98 64.09 1rki s VAL 97 Cb -0.16 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1rki s VAL 97 CO 0.20 0.01 1.36 0.20 0.00 0.00 0.00 175.10 176.88 1rki s ASN 98 N 1.15 6.23 0.00 3.32 0.01 -1.26 -3.88 114.94 120.51 1rki s ASN 98 Ca 0.41 2.79 0.00 0.00 -0.71 0.00 0.00 52.86 55.34 1rki s ASN 98 Cb -0.17 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.84 1rki s ASN 98 CO 0.13 -0.92 0.00 0.61 -1.51 0.00 0.00 177.10 175.41 1rki n GLY 99 N 0.63 0.73 3.72 0.66 0.00 -1.26 -5.05 105.19 104.62 1rki n GLY 99 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1rki n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rki s VAL 100 N -2.87 3.90 -2.00 1.61 1.01 -1.25 -5.31 120.40 115.49 1rki s VAL 100 Ca 0.00 1.41 0.21 0.00 0.00 0.00 0.00 61.98 63.59 1rki s VAL 100 Cb 0.00 -3.90 0.59 0.00 0.00 0.00 0.00 36.38 33.06 1rki s VAL 100 CO 0.00 0.13 1.61 -0.81 0.00 0.00 0.00 175.10 176.03