#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d n VAL 3 N 0.00 0.00 -0.26 5.15 0.31 -1.26 -4.76 118.33 117.51 3d5d n VAL 3 Ca 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 64.34 64.63 3d5d n VAL 3 Cb 0.00 0.00 0.69 0.00 -0.91 0.00 0.00 33.84 33.62 3d5d n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3d5d h LYS 4 N 0.60 0.08 -6.13 5.55 -0.00 -2.03 -3.43 116.57 111.21 3d5d h LYS 4 Ca 0.00 -0.01 -0.64 0.00 -0.00 0.00 0.00 60.65 60.00 3d5d h LYS 4 Cb 0.00 -0.02 0.12 0.00 -0.00 0.00 0.00 32.23 32.33 3d5d h LYS 4 CO 0.00 0.06 -0.46 0.00 -0.00 0.00 0.00 179.45 179.05 3d5d n MET 5 N -4.31 0.32 0.00 0.07 0.00 -1.26 -4.97 117.12 106.98 3d5d n MET 5 Ca 0.22 0.11 0.00 0.00 0.00 0.00 0.00 57.70 58.04 3d5d n MET 5 Cb 1.04 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 33.04 3d5d n MET 5 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 175.97 173.58 3d5d n HIS 6 N -0.23 0.00 0.00 3.17 1.44 -1.26 -5.15 115.22 113.19 3d5d n HIS 6 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 3d5d n HIS 6 Cb 0.30 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.41 3d5d n HIS 6 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3d5d n VAL 7 N 0.00 0.00 -0.04 0.61 0.31 -1.26 -5.01 118.33 112.93 3d5d n VAL 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3d5d n VAL 7 Cb 0.00 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3d5d n VAL 7 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3d5d n LYS 8 N 0.00 0.91 0.00 5.55 -0.00 -1.26 -5.11 118.16 118.25 3d5d n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3d5d n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3d5d n LYS 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3d5d n LYS 9 N -0.08 0.00 -3.81 -1.58 2.85 -1.26 -5.07 118.16 109.21 3d5d n LYS 9 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 3d5d n LYS 9 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 3d5d n LYS 9 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3d5d s GLY 10 N 0.00 2.63 0.00 2.58 0.00 -1.26 -4.73 107.32 106.53 3d5d s GLY 10 Ca 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 44.72 41.14 3d5d s GLY 10 CO 0.00 1.26 0.00 2.09 0.00 0.00 0.00 173.10 176.45 3d5d n ASP 11 N 2.15 0.07 -4.65 1.64 5.68 -1.24 -4.87 116.55 115.33 3d5d n ASP 11 Ca 0.21 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 54.09 3d5d n ASP 11 Cb 0.37 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.30 3d5d n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3d5d s THR 12 N -0.23 4.93 0.02 2.12 2.01 -1.26 -0.85 115.64 122.38 3d5d s THR 12 Ca 0.00 1.35 0.01 0.00 0.31 0.00 0.00 61.69 63.36 3d5d s THR 12 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 3d5d s THR 12 CO 0.00 0.02 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.21 3d5d s VAL 13 N 2.42 0.26 -0.01 3.82 1.01 -0.63 -3.15 120.40 124.10 3d5d s VAL 13 Ca 0.31 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3d5d s VAL 13 Cb -0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3d5d s VAL 13 CO 0.09 -0.33 -0.01 -0.22 0.00 0.00 0.00 175.10 174.63 3d5d s LEU 14 N -1.16 3.48 -0.31 3.92 0.20 -0.19 -0.89 118.68 123.74 3d5d s LEU 14 Ca -0.10 0.00 -0.12 0.00 0.69 0.00 0.00 54.13 54.60 3d5d s LEU 14 Cb -0.08 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.69 3d5d s LEU 14 CO -0.00 0.30 0.21 -0.69 -0.29 0.00 0.00 176.35 175.87 3d5d s VAL 15 N -1.04 5.22 -0.25 1.68 1.01 0.34 -1.03 120.40 126.32 3d5d s VAL 15 Ca 0.18 -0.07 0.13 0.00 0.00 0.00 0.00 61.98 62.22 3d5d s VAL 15 Cb -0.11 -3.59 0.57 0.00 0.00 0.00 0.00 36.38 33.25 3d5d s VAL 15 CO 0.09 0.11 1.53 0.00 0.00 0.00 0.00 175.10 176.83 3d5d n ALA 16 N 5.07 3.79 -1.00 5.51 0.00 -0.70 0.46 120.51 133.65 3d5d n ALA 16 Ca -0.13 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.71 3d5d n ALA 16 Cb 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3d5d n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d5d n SER 17 N -0.66 0.00 0.00 0.00 3.41 -1.25 -4.89 113.62 110.24 3d5d n SER 17 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3d5d n SER 17 Cb 1.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 3d5d n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d5d n GLY 18 N 4.53 0.14 0.16 5.00 0.00 -1.26 -3.96 105.19 109.79 3d5d n GLY 18 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3d5d n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d5d n LYS 19 N 0.00 0.08 -2.65 1.61 5.02 -1.26 -0.64 118.16 120.32 3d5d n LYS 19 Ca 0.00 0.54 -0.09 0.00 -2.02 0.00 0.00 58.31 56.74 3d5d n LYS 19 Cb 0.00 -2.10 0.03 0.00 -0.02 0.00 0.00 35.03 32.94 3d5d n LYS 19 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3d5d n TYR 20 N -1.97 1.57 -2.20 2.13 4.02 -1.26 -5.04 117.16 114.41 3d5d n TYR 20 Ca -0.01 -2.55 -0.39 0.00 -0.01 0.00 0.00 57.90 54.94 3d5d n TYR 20 Cb 0.37 -0.29 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 3d5d n TYR 20 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 3d5d s LYS 21 N -3.45 4.08 0.00 -0.72 -2.85 0.19 -3.32 119.74 113.68 3d5d s LYS 21 Ca 0.31 1.99 0.00 0.00 -1.00 0.00 0.00 55.97 57.27 3d5d s LYS 21 Cb 0.40 -2.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 3d5d s LYS 21 CO -0.01 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.50 3d5d n GLY 22 N 0.70 1.79 3.62 0.59 0.00 0.17 -4.98 105.19 107.08 3d5d n GLY 22 Ca 0.03 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 3d5d n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5d n ARG 23 N 0.00 1.56 -4.23 1.61 1.74 -1.21 -4.54 116.66 111.59 3d5d n ARG 23 Ca 0.00 0.55 -0.30 0.00 -0.77 0.00 0.00 57.85 57.33 3d5d n ARG 23 Cb 0.00 -2.00 -0.10 0.00 -1.02 0.00 0.00 32.46 29.34 3d5d n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d5d s VAL 24 N -0.91 3.32 -0.18 1.55 1.01 -1.26 -0.51 120.40 123.42 3d5d s VAL 24 Ca 0.60 -1.29 -0.33 0.00 0.00 0.00 0.00 61.98 60.95 3d5d s VAL 24 Cb -0.68 -2.55 0.14 0.00 0.00 0.00 0.00 36.38 33.29 3d5d s VAL 24 CO 0.59 0.11 1.18 -0.83 0.00 0.00 0.00 175.10 176.15 3d5d s GLY 25 N -2.21 -0.26 -0.12 4.51 0.00 -0.07 -4.96 107.32 104.22 3d5d s GLY 25 Ca 0.21 1.75 -0.23 0.00 0.00 0.00 0.00 44.72 46.45 3d5d s GLY 25 CO 0.13 0.64 0.73 1.25 0.00 0.00 0.00 173.10 175.85 3d5d s LYS 26 N -2.16 4.36 -0.24 2.90 2.20 -1.26 -1.61 119.74 123.93 3d5d s LYS 26 Ca 0.08 0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 56.27 3d5d s LYS 26 Cb -0.01 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 3d5d s LYS 26 CO -0.05 -0.10 1.14 0.14 -0.36 0.00 0.00 175.35 176.12 3d5d s VAL 27 N 1.37 4.48 -0.16 4.02 -7.23 -0.03 -4.62 120.40 118.23 3d5d s VAL 27 Ca 0.36 1.76 0.19 0.00 -1.81 0.00 0.00 61.98 62.49 3d5d s VAL 27 Cb -0.17 -4.23 -0.11 0.00 0.56 0.00 0.00 36.38 32.44 3d5d s VAL 27 CO 0.15 -0.26 0.85 2.29 -0.31 0.00 0.00 175.10 177.82 3d5d n LYS 28 N 6.61 0.62 -3.78 4.82 2.85 -0.63 -3.68 118.16 124.97 3d5d n LYS 28 Ca 0.13 0.14 -0.13 0.00 -1.05 0.00 0.00 58.31 57.40 3d5d n LYS 28 Cb 0.46 -1.78 -0.10 0.00 -0.65 0.00 0.00 35.03 32.96 3d5d n LYS 28 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3d5d s GLU 29 N -3.13 0.47 -0.14 -1.58 2.56 -1.12 -5.01 118.70 110.75 3d5d s GLU 29 Ca -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 54.97 55.03 3d5d s GLU 29 Cb 0.09 0.22 0.06 0.00 2.00 0.00 0.00 34.13 36.50 3d5d s GLU 29 CO 0.81 -0.10 0.12 0.08 -0.56 0.00 0.00 175.26 175.62 3d5d s VAL 30 N -0.51 -0.17 -0.55 3.70 1.01 -1.26 0.94 120.40 123.55 3d5d s VAL 30 Ca -0.06 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3d5d s VAL 30 Cb -0.04 -0.46 0.12 0.00 0.00 0.00 0.00 36.38 36.00 3d5d s VAL 30 CO 0.02 -0.10 0.54 -1.48 0.00 0.00 0.00 175.10 174.08 3d5d s LEU 31 N 2.21 5.97 0.21 3.92 2.34 0.33 -4.95 118.68 128.72 3d5d s LEU 31 Ca 0.04 -1.68 -0.08 0.00 0.06 0.00 0.00 54.13 52.46 3d5d s LEU 31 Cb -0.14 -2.23 0.28 0.00 -0.56 0.00 0.00 46.19 43.54 3d5d s LEU 31 CO -0.08 -0.91 1.78 1.55 -1.06 0.00 0.00 176.35 177.63 3d5d h PRO 32 N 8.96 0.57 -0.27 1.48 0.13 -1.96 -1.98 132.00 138.93 3d5d h PRO 32 Ca -0.30 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.83 3d5d h PRO 32 Cb 1.10 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.03 3d5d h PRO 32 CO 1.05 0.38 -0.47 0.87 -0.23 0.00 0.00 178.00 179.60 3d5d h LYS 33 N 0.59 -0.37 -0.49 0.86 1.57 -1.95 -0.30 116.57 116.48 3d5d h LYS 33 Ca 0.32 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3d5d h LYS 33 Cb 0.30 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3d5d h LYS 33 CO -0.24 -0.25 0.00 1.63 -0.57 0.00 0.00 179.45 180.02 3d5d n LYS 34 N -4.97 2.10 -3.67 3.15 5.02 -1.18 -4.95 118.16 113.66 3d5d n LYS 34 Ca -0.04 -1.29 -0.22 0.00 -2.02 0.00 0.00 58.31 54.75 3d5d n LYS 34 Cb 0.30 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3d5d n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3d5d n TYR 35 N 0.43 -2.17 -3.63 2.13 9.36 -0.12 -4.90 117.16 118.25 3d5d n TYR 35 Ca 0.12 0.83 -0.11 0.00 3.32 0.00 0.00 57.90 62.06 3d5d n TYR 35 Cb 0.41 -3.04 -0.05 0.00 -0.63 0.00 0.00 39.34 36.03 3d5d n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3d5d s ALA 36 N -3.04 -0.95 0.12 2.98 0.00 -0.96 -2.51 121.76 117.40 3d5d s ALA 36 Ca 0.05 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.08 3d5d s ALA 36 Cb -0.02 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3d5d s ALA 36 CO 0.87 -0.62 -0.14 0.14 0.00 0.00 0.00 175.76 176.02 3d5d s VAL 37 N -3.62 1.30 -0.25 0.00 -7.23 0.17 -0.51 120.40 110.26 3d5d s VAL 37 Ca 0.02 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 3d5d s VAL 37 Cb 0.01 -1.54 0.05 0.00 0.56 0.00 0.00 36.38 35.47 3d5d s VAL 37 CO -0.11 -0.44 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.52 3d5d s ILE 38 N -2.22 2.44 0.00 -0.62 1.01 0.27 -1.49 121.20 120.59 3d5d s ILE 38 Ca 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.36 3d5d s ILE 38 Cb -0.04 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.09 3d5d s ILE 38 CO 0.03 0.08 0.00 0.52 0.00 0.00 0.00 174.94 175.57 3d5d n VAL 39 N 4.54 0.00 -1.21 2.92 0.31 -1.26 -1.61 118.33 122.02 3d5d n VAL 39 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3d5d n VAL 39 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3d5d n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3d5d n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.60 120.64 119.74 3d5d n GLU 40 Ca 0.00 -0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 3d5d n GLU 40 Cb 0.00 -0.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 3d5d n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3d5d n GLY 41 N 0.00 1.83 3.54 0.62 0.00 -1.26 -4.73 105.19 105.19 3d5d n GLY 41 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3d5d n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5d n VAL 42 N 0.00 -0.03 -3.84 1.61 0.31 -1.26 -4.85 118.33 110.26 3d5d n VAL 42 Ca 0.00 -0.55 -0.30 0.00 -0.01 0.00 0.00 64.34 63.48 3d5d n VAL 42 Cb 0.00 -1.87 -0.14 0.00 -0.91 0.00 0.00 33.84 30.93 3d5d n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3d5d s ASN 43 N 9.81 4.02 0.36 4.52 0.01 -1.26 0.62 114.94 133.02 3d5d s ASN 43 Ca 1.05 -2.84 0.01 0.00 -0.71 0.00 0.00 52.86 50.37 3d5d s ASN 43 Cb -0.37 -1.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.90 3d5d s ASN 43 CO 0.25 -0.25 0.56 -0.63 -1.51 0.00 0.00 177.10 175.53 3d5d s ILE 44 N -0.00 4.86 -0.18 0.60 -1.09 -1.20 -4.80 121.20 119.39 3d5d s ILE 44 Ca 0.17 -0.51 -0.22 0.00 -2.23 0.00 0.00 60.65 57.87 3d5d s ILE 44 Cb -0.25 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 3d5d s ILE 44 CO 0.00 -0.49 0.67 -0.69 -1.23 0.00 0.00 174.94 173.20 3d5d s VAL 45 N -2.35 5.00 -0.43 2.92 1.01 -1.26 -3.15 120.40 122.14 3d5d s VAL 45 Ca 0.42 1.29 -0.15 0.00 0.00 0.00 0.00 61.98 63.53 3d5d s VAL 45 Cb -0.10 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.34 3d5d s VAL 45 CO 0.36 0.11 0.33 -0.75 0.00 0.00 0.00 175.10 175.15 3d5d s LYS 46 N 1.85 2.96 0.20 2.72 2.20 -0.05 -4.94 119.74 124.68 3d5d s LYS 46 Ca 0.31 -1.15 -0.06 0.00 -0.36 0.00 0.00 55.97 54.71 3d5d s LYS 46 Cb -0.16 -4.03 0.15 0.00 -1.51 0.00 0.00 37.83 32.28 3d5d s LYS 46 CO 0.11 -0.85 1.65 0.87 -0.36 0.00 0.00 175.35 176.76 3d5d h LYS 47 N 8.67 0.91 -4.86 4.03 1.57 -1.85 -3.24 116.57 121.81 3d5d h LYS 47 Ca -0.27 -0.32 -0.58 0.00 -1.87 0.00 0.00 60.65 57.60 3d5d h LYS 47 Cb 1.12 -0.07 0.07 0.00 0.08 0.00 0.00 32.23 33.43 3d5d h LYS 47 CO 0.78 0.97 -0.22 0.00 -0.57 0.00 0.00 179.45 180.41 3d5d n ALA 48 N -2.49 -2.75 0.26 3.86 0.00 -1.26 -4.59 120.51 113.53 3d5d n ALA 48 Ca 0.02 0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 3d5d n ALA 48 Cb 0.39 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 3d5d n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3d5d h VAL 49 N 1.51 0.44 0.00 0.00 2.07 -1.89 -3.41 116.25 114.97 3d5d h VAL 49 Ca -0.31 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3d5d h VAL 49 Cb 1.16 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3d5d h VAL 49 CO 0.49 0.05 0.00 -1.14 0.02 0.00 0.00 177.57 176.99 3d5d n ARG 50 N -5.29 0.00 0.08 1.57 3.00 -1.26 -2.87 116.66 111.90 3d5d n ARG 50 Ca -0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.60 3d5d n ARG 50 Cb 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.63 3d5d n ARG 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 3d5d h VAL 51 N 2.28 1.45 -3.60 5.15 3.04 -1.98 -3.43 116.25 119.15 3d5d h VAL 51 Ca 0.00 -3.06 -0.70 0.00 -1.01 0.00 0.00 66.70 61.93 3d5d h VAL 51 Cb 0.00 2.88 -0.22 0.00 -2.01 0.00 0.00 31.29 31.94 3d5d h VAL 51 CO 0.00 0.88 -0.49 -0.94 -1.01 0.00 0.00 177.57 176.01 3d5d s SER 52 N -7.00 5.87 0.54 3.17 1.04 -1.26 -4.97 113.70 111.09 3d5d s SER 52 Ca -0.04 -0.76 0.35 0.00 0.48 0.00 0.00 55.95 55.98 3d5d s SER 52 Cb 0.08 -2.08 1.53 0.00 0.10 0.00 0.00 66.02 65.65 3d5d s SER 52 CO 0.87 -0.34 1.82 -0.65 0.98 0.00 0.00 173.24 175.92 3d5d h PRO 53 N 8.49 0.00 -6.65 4.02 0.11 -1.95 -3.42 132.00 132.59 3d5d h PRO 53 Ca -0.28 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.25 3d5d h PRO 53 Cb 1.13 0.00 0.10 0.00 0.11 0.00 0.00 31.00 32.34 3d5d h PRO 53 CO 0.67 0.00 0.52 1.17 -0.21 0.00 0.00 178.00 180.15 3d5d n LYS 54 N -4.18 2.02 -2.62 1.05 4.81 -1.26 -3.96 118.16 114.02 3d5d n LYS 54 Ca 0.24 0.71 -0.04 0.00 -0.87 0.00 0.00 58.31 58.35 3d5d n LYS 54 Cb 1.18 -2.31 -0.03 0.00 0.02 0.00 0.00 35.03 33.88 3d5d n LYS 54 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3d5d n TYR 55 N 1.01 -4.35 0.00 5.64 4.02 -1.26 -4.93 117.16 117.28 3d5d n TYR 55 Ca 0.08 2.37 0.00 0.00 -0.01 0.00 0.00 57.90 60.34 3d5d n TYR 55 Cb 0.34 -3.95 0.00 0.00 -0.02 0.00 0.00 39.34 35.70 3d5d n TYR 55 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3d5d n PRO 56 N 1.40 0.00 -2.37 -0.72 -0.02 -1.25 -4.34 135.00 127.70 3d5d n PRO 56 Ca -0.30 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 3d5d n PRO 56 Cb 0.47 -1.03 -0.02 0.00 -0.02 0.00 0.00 33.50 32.90 3d5d n PRO 56 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3d5d s GLN 57 N -1.11 4.26 -0.24 -0.52 -1.52 -1.26 -4.88 119.66 114.39 3d5d s GLN 57 Ca 0.00 1.75 0.01 0.00 -1.95 0.00 0.00 55.36 55.17 3d5d s GLN 57 Cb 0.00 -3.72 -0.19 0.00 -0.22 0.00 0.00 33.01 28.89 3d5d s GLN 57 CO 0.00 -0.64 -0.13 0.41 -0.25 0.00 0.00 175.29 174.68 3d5d n GLY 58 N 3.61 -0.40 0.00 3.09 0.00 -1.14 -5.08 105.19 105.27 3d5d n GLY 58 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3d5d n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5d n GLY 59 N 2.21 4.00 1.40 -0.02 0.00 -1.20 -4.84 105.19 106.74 3d5d n GLY 59 Ca -0.44 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 3d5d n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d5d n PHE 60 N -0.18 0.59 -1.92 1.61 7.35 -1.26 -4.67 117.46 118.98 3d5d n PHE 60 Ca 0.00 -1.00 -0.41 0.00 -0.76 0.00 0.00 57.45 55.28 3d5d n PHE 60 Cb 0.00 -0.50 -0.02 0.00 0.35 0.00 0.00 39.48 39.31 3d5d n PHE 60 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3d5d s ILE 61 N -0.74 2.37 -0.88 -2.13 -4.36 -1.22 -4.45 121.20 109.79 3d5d s ILE 61 Ca 0.11 0.34 -0.02 0.00 -0.26 0.00 0.00 60.65 60.82 3d5d s ILE 61 Cb 0.09 -3.22 0.31 0.00 1.25 0.00 0.00 42.46 40.89 3d5d s ILE 61 CO 0.01 0.07 2.06 -1.84 0.24 0.00 0.00 174.94 175.48 3d5d n GLU 62 N 1.55 3.53 -1.01 0.37 0.28 -1.26 -0.87 120.64 123.23 3d5d n GLU 62 Ca 0.04 -3.72 -0.29 0.00 -0.16 0.00 0.00 57.16 53.03 3d5d n GLU 62 Cb 0.40 -2.33 0.19 0.00 1.43 0.00 0.00 31.44 31.13 3d5d n GLU 62 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3d5d s LYS 63 N -3.81 0.25 0.40 3.44 -2.85 -1.19 -4.12 119.74 111.86 3d5d s LYS 63 Ca 0.49 0.67 -0.26 0.00 -1.00 0.00 0.00 55.97 55.87 3d5d s LYS 63 Cb 0.36 -1.70 -0.10 0.00 -2.06 0.00 0.00 37.83 34.32 3d5d s LYS 63 CO -0.31 -2.89 1.28 0.39 0.10 0.00 0.00 175.35 173.91 3d5d n GLU 64 N -4.31 1.99 -4.33 1.78 4.71 -1.26 -3.25 120.64 115.96 3d5d n GLU 64 Ca 0.05 0.70 -0.29 0.00 -0.01 0.00 0.00 57.16 57.61 3d5d n GLU 64 Cb 0.56 -2.37 -0.12 0.00 -1.01 0.00 0.00 31.44 28.50 3d5d n GLU 64 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3d5d s ALA 65 N -1.17 2.60 0.57 0.62 0.00 0.20 -4.89 121.76 119.69 3d5d s ALA 65 Ca 0.59 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 3d5d s ALA 65 Cb -0.52 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 3d5d s ALA 65 CO 0.59 0.57 1.09 -2.30 0.00 0.00 0.00 175.76 175.71 3d5d n PRO 66 N 0.79 1.16 -3.77 0.00 -0.02 -1.26 -4.66 135.00 127.24 3d5d n PRO 66 Ca -0.16 0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 3d5d n PRO 66 Cb 0.53 -2.28 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 3d5d n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3d5d s LEU 67 N -2.37 0.90 0.08 2.45 2.96 -0.55 -4.96 118.68 117.19 3d5d s LEU 67 Ca 0.74 0.32 -0.37 0.00 -0.22 0.00 0.00 54.13 54.60 3d5d s LEU 67 Cb -0.43 0.44 -0.17 0.00 0.50 0.00 0.00 46.19 46.53 3d5d s LEU 67 CO 0.48 -0.12 1.34 1.57 -1.32 0.00 0.00 176.35 178.30 3d5d n HIS 68 N 3.87 1.52 1.23 5.38 -0.00 -1.26 0.45 115.22 126.41 3d5d n HIS 68 Ca -0.22 0.64 0.00 0.00 -0.00 0.00 0.00 57.72 58.13 3d5d n HIS 68 Cb 0.54 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.20 3d5d n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3d5d n ALA 69 N 2.55 2.17 -0.03 1.57 0.00 -1.04 -2.54 120.51 123.19 3d5d n ALA 69 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.59 3d5d n ALA 69 Cb 0.19 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 3d5d n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3d5d n SER 70 N -0.34 0.42 0.05 0.00 2.88 -1.26 -4.35 113.62 111.02 3d5d n SER 70 Ca 0.00 0.19 0.11 0.00 -1.33 0.00 0.00 58.87 57.84 3d5d n SER 70 Cb 0.04 0.72 0.05 0.00 -0.75 0.00 0.00 64.21 64.27 3d5d n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3d5d n LYS 71 N -2.76 0.36 -3.17 -1.46 5.02 -1.05 -4.87 118.16 110.23 3d5d n LYS 71 Ca -0.18 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.80 3d5d n LYS 71 Cb 0.94 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 34.24 3d5d n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3d5d s VAL 72 N -3.23 4.68 -0.02 -0.18 -7.23 -1.25 -1.72 120.40 111.45 3d5d s VAL 72 Ca 0.03 1.00 0.01 0.00 -1.81 0.00 0.00 61.98 61.21 3d5d s VAL 72 Cb 0.13 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.38 3d5d s VAL 72 CO 0.78 -0.01 -0.03 -0.13 -0.31 0.00 0.00 175.10 175.41 3d5d s ARG 73 N -2.55 0.37 0.87 4.82 0.52 -0.19 -4.97 118.95 117.81 3d5d s ARG 73 Ca 0.48 -0.07 -0.10 0.00 -0.52 0.00 0.00 55.73 55.52 3d5d s ARG 73 Cb -0.13 -0.43 0.12 0.00 0.52 0.00 0.00 34.95 35.03 3d5d s ARG 73 CO 0.19 -0.01 1.14 -1.25 0.02 0.00 0.00 175.30 175.39 3d5d s PRO 74 N 0.39 1.40 0.29 3.54 0.04 -1.26 -1.02 135.00 138.37 3d5d s PRO 74 Ca -0.04 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.31 3d5d s PRO 74 Cb -0.07 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3d5d s PRO 74 CO -0.01 -2.34 0.64 -1.50 0.04 0.00 0.00 177.00 173.84 3d5d s ILE 75 N -2.66 0.00 0.00 0.56 2.07 -1.19 -3.21 121.20 116.77 3d5d s ILE 75 Ca 0.66 -1.16 0.00 0.00 -1.41 0.00 0.00 60.65 58.74 3d5d s ILE 75 Cb -0.22 -2.20 0.00 0.00 0.13 0.00 0.00 42.46 40.17 3d5d s ILE 75 CO 0.57 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.60 3d5d h PRO 77 N 0.00 -0.06 -6.78 0.00 0.13 -1.99 -3.38 132.00 119.91 3d5d h PRO 77 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.64 3d5d h PRO 77 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 3d5d h PRO 77 CO 0.00 -0.04 0.40 0.00 -0.23 0.00 0.00 178.00 178.13 3d5d s ALA 78 N -6.17 3.36 -0.50 -0.56 0.00 -1.26 -5.00 121.76 111.64 3d5d s ALA 78 Ca -0.14 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 3d5d s ALA 78 Cb 0.17 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 20.07 3d5d s ALA 78 CO 0.72 0.05 0.88 0.00 0.00 0.00 0.00 175.76 177.41 3d5d n GLY 80 N 5.04 -2.29 3.09 0.00 0.00 -1.26 -5.02 105.19 104.75 3d5d n GLY 80 Ca 0.03 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 3d5d n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5d s LYS 81 N -0.19 0.70 1.21 1.61 1.02 -1.20 -5.05 119.74 117.84 3d5d s LYS 81 Ca 0.00 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.12 3d5d s LYS 81 Cb 0.00 -0.62 0.29 0.00 -0.52 0.00 0.00 37.83 36.98 3d5d s LYS 81 CO 0.00 0.14 1.07 -2.14 -0.92 0.00 0.00 175.35 173.50 3d5d s PRO 82 N -1.18 -1.30 -0.13 -1.68 0.02 -1.26 -4.51 135.00 124.95 3d5d s PRO 82 Ca -0.03 0.11 -0.03 0.00 0.02 0.00 0.00 61.00 61.08 3d5d s PRO 82 Cb -0.08 -1.57 -0.03 0.00 0.02 0.00 0.00 34.50 32.84 3d5d s PRO 82 CO 0.01 -3.80 -0.04 0.99 -0.33 0.00 0.00 177.00 173.83 3d5d s THR 83 N -2.83 3.94 0.08 0.99 2.01 -1.26 -2.74 115.64 115.82 3d5d s THR 83 Ca 0.70 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.39 3d5d s THR 83 Cb -0.13 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 3d5d s THR 83 CO 0.57 0.53 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.75 3d5d s ARG 84 N -0.09 0.87 -0.16 4.92 0.52 -0.11 -4.96 118.95 119.94 3d5d s ARG 84 Ca 0.02 -0.99 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 3d5d s ARG 84 Cb -0.13 -0.92 0.01 0.00 0.52 0.00 0.00 34.95 34.43 3d5d s ARG 84 CO 0.02 0.21 -0.19 0.14 0.02 0.00 0.00 175.30 175.50 3d5d s VAL 85 N -1.25 2.22 -0.27 3.52 -7.23 -1.26 -0.44 120.40 115.68 3d5d s VAL 85 Ca -0.01 -0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 59.25 3d5d s VAL 85 Cb -0.10 -1.92 0.04 0.00 0.56 0.00 0.00 36.38 34.97 3d5d s VAL 85 CO 0.03 0.53 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.71 3d5d s ARG 86 N 1.03 2.56 0.04 4.82 3.52 -0.45 -4.90 118.95 125.57 3d5d s ARG 86 Ca -0.01 -1.16 -0.31 0.00 -0.13 0.00 0.00 55.73 54.11 3d5d s ARG 86 Cb -0.14 -3.05 -0.10 0.00 -1.56 0.00 0.00 34.95 30.09 3d5d s ARG 86 CO -0.06 -0.52 1.93 0.36 -0.81 0.00 0.00 175.30 176.20 3d5d n LYS 87 N 4.61 2.75 0.00 5.12 2.85 -1.26 -2.62 118.16 129.60 3d5d n LYS 87 Ca -0.15 1.01 0.00 0.00 -1.05 0.00 0.00 58.31 58.12 3d5d n LYS 87 Cb 0.45 -2.93 0.00 0.00 -0.65 0.00 0.00 35.03 31.89 3d5d n LYS 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3d5d n LYS 88 N 7.01 0.00 0.00 -1.58 4.76 -0.98 -4.88 118.16 122.48 3d5d n LYS 88 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3d5d n LYS 88 Cb 0.38 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 3d5d n LYS 88 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3d5d n PHE 89 N 0.00 0.00 0.00 2.13 7.35 -1.26 -4.79 117.46 120.89 3d5d n PHE 89 Ca 0.00 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 3d5d n PHE 89 Cb 0.00 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3d5d n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 3d5d n LEU 90 N -0.02 0.00 0.00 -2.13 -0.00 -1.26 -5.15 117.00 108.44 3d5d n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3d5d n LEU 90 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 3d5d n LEU 90 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 3d5d n GLU 91 N -0.59 3.36 -3.38 1.47 -0.58 -1.26 -5.14 120.64 114.52 3d5d n GLU 91 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 3d5d n GLU 91 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 3d5d n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3d5d s ASN 92 N 1.00 1.49 0.41 1.62 2.47 -1.26 -2.33 114.94 118.34 3d5d s ASN 92 Ca 0.00 -1.54 0.08 0.00 0.42 0.00 0.00 52.86 51.82 3d5d s ASN 92 Cb 0.00 0.42 -0.01 0.00 -1.45 0.00 0.00 41.25 40.21 3d5d s ASN 92 CO 0.00 -0.29 0.41 -0.83 -3.72 0.00 0.00 177.10 172.68 3d5d s GLY 93 N 1.52 2.06 -0.11 1.21 0.00 -1.08 -4.90 107.32 106.03 3d5d s GLY 93 Ca 0.16 -1.81 0.02 0.00 0.00 0.00 0.00 44.72 43.09 3d5d s GLY 93 CO -0.07 -1.64 -0.19 -1.59 0.00 0.00 0.00 173.10 169.61 3d5d s LYS 94 N -4.16 2.56 -0.05 2.90 -2.85 -1.26 -1.33 119.74 115.54 3d5d s LYS 94 Ca 0.49 -0.69 -0.04 0.00 -1.00 0.00 0.00 55.97 54.73 3d5d s LYS 94 Cb -0.05 -2.08 -0.04 0.00 -2.06 0.00 0.00 37.83 33.60 3d5d s LYS 94 CO 0.29 0.01 0.14 0.15 0.10 0.00 0.00 175.35 176.04 3d5d s LYS 95 N 0.78 3.35 0.00 1.78 1.02 0.42 -2.77 119.74 124.32 3d5d s LYS 95 Ca -0.10 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3d5d s LYS 95 Cb -0.16 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3d5d s LYS 95 CO 0.01 0.70 0.00 0.44 -0.92 0.00 0.00 175.35 175.58 3d5d n ILE 96 N 1.37 0.00 -0.34 2.17 -5.35 -0.36 -0.93 119.36 115.92 3d5d n ILE 96 Ca -0.14 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.25 3d5d n ILE 96 Cb 0.53 -0.94 -0.08 0.00 -1.74 0.00 0.00 39.64 37.42 3d5d n ILE 96 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3d5d n ARG 97 N -0.67 -0.35 -0.49 6.28 0.63 -1.11 -3.93 116.66 117.03 3d5d n ARG 97 Ca 0.00 1.36 0.00 0.00 -0.92 0.00 0.00 57.85 58.29 3d5d n ARG 97 Cb 0.00 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 30.91 3d5d n ARG 97 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3d5d n VAL 98 N -4.83 0.00 -3.91 5.15 3.14 -1.26 -4.95 118.33 111.67 3d5d n VAL 98 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3d5d n VAL 98 Cb 0.21 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 3d5d n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3d5d s ALA 100 N -2.00 3.66 0.00 0.00 0.00 -1.26 -2.43 121.76 119.73 3d5d s ALA 100 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3d5d s ALA 100 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3d5d s ALA 100 CO 0.00 0.57 0.00 1.17 0.00 0.00 0.00 175.76 177.50