#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cth s PRO 2 N 0.00 1.38 0.39 0.00 0.04 -1.26 -5.01 135.00 130.54 2cth s PRO 2 Ca 0.00 0.22 -0.21 0.00 0.04 0.00 0.00 61.00 61.05 2cth s PRO 2 Cb 0.00 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 2cth s PRO 2 CO 0.00 -2.02 0.92 0.21 0.04 0.00 0.00 177.00 176.15 2cth s LYS 3 N -5.39 4.27 0.48 4.56 2.20 -1.26 -5.01 119.74 119.60 2cth s LYS 3 Ca 0.63 1.10 -0.22 0.00 -0.36 0.00 0.00 55.97 57.12 2cth s LYS 3 Cb -0.13 -2.33 -0.07 0.00 -1.51 0.00 0.00 37.83 33.78 2cth s LYS 3 CO 0.52 0.06 1.15 0.00 -0.36 0.00 0.00 175.35 176.72 2cth s ALA 4 N -2.04 2.90 0.86 3.13 0.00 -1.26 -5.00 121.76 120.34 2cth s ALA 4 Ca 0.59 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 2cth s ALA 4 Cb -0.11 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.74 2cth s ALA 4 CO 0.16 -0.68 1.11 -1.25 0.00 0.00 0.00 175.76 175.09 2cth s PRO 5 N -2.85 1.55 0.91 0.00 0.04 -1.26 -5.04 135.00 128.35 2cth s PRO 5 Ca 0.66 0.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 2cth s PRO 5 Cb -0.27 -1.86 0.14 0.00 0.04 0.00 0.00 34.50 32.54 2cth s PRO 5 CO 0.32 -1.97 1.09 0.00 0.04 0.00 0.00 177.00 176.48 2cth s ALA 6 N -3.14 1.45 1.00 8.56 0.00 -1.26 -4.69 121.76 123.68 2cth s ALA 6 Ca 0.62 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 2cth s ALA 6 Cb -0.15 -3.17 0.19 0.00 0.00 0.00 0.00 23.12 19.99 2cth s ALA 6 CO 0.55 -2.43 1.10 -0.51 0.00 0.00 0.00 175.76 174.47 2cth s ASP 7 N -3.47 2.67 0.00 0.00 1.01 -1.26 -4.27 116.67 111.36 2cth s ASP 7 Ca 0.64 1.13 0.00 0.00 0.71 0.00 0.00 52.55 55.02 2cth s ASP 7 Cb -0.18 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 41.97 2cth s ASP 7 CO 0.57 -3.09 0.00 0.61 0.21 0.00 0.00 175.17 173.47 2cth n GLY 8 N -1.26 0.70 3.69 0.21 0.00 -1.25 -5.02 105.19 102.26 2cth n GLY 8 Ca 0.05 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2cth n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cth s LEU 9 N 0.00 4.30 -0.24 0.99 0.20 -1.17 -4.86 118.68 117.90 2cth s LEU 9 Ca 0.00 1.98 -0.10 0.00 0.69 0.00 0.00 54.13 56.70 2cth s LEU 9 Cb 0.00 -3.56 -0.05 0.00 -0.43 0.00 0.00 46.19 42.15 2cth s LEU 9 CO 0.00 -0.65 0.15 -0.75 -0.29 0.00 0.00 176.35 174.81 2cth s LYS 10 N 2.24 4.03 -0.39 1.98 2.20 -1.26 -0.61 119.74 127.93 2cth s LYS 10 Ca 0.60 -0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 55.70 2cth s LYS 10 Cb -0.28 -3.51 0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2cth s LYS 10 CO 0.25 0.05 0.71 -1.64 -0.36 0.00 0.00 175.35 174.36 2cth s MET 11 N 1.07 3.60 -0.32 4.03 -1.94 0.29 -4.95 119.30 121.08 2cth s MET 11 Ca 0.07 0.05 0.18 0.00 -1.71 0.00 0.00 55.69 54.28 2cth s MET 11 Cb -0.14 -3.85 0.46 0.00 2.01 0.00 0.00 34.83 33.31 2cth s MET 11 CO 0.04 -0.88 0.98 -0.85 -0.01 0.00 0.00 175.02 174.30 2cth n GLU 12 N 6.33 1.31 0.09 2.03 0.28 -1.26 -1.65 120.64 127.77 2cth n GLU 12 Ca 0.01 -3.33 0.13 0.00 -0.16 0.00 0.00 57.16 53.80 2cth n GLU 12 Cb 0.48 -1.33 0.43 0.00 1.43 0.00 0.00 31.44 32.45 2cth n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cth n ALA 13 N -0.14 2.29 -4.40 -1.84 0.00 -1.26 -4.92 120.51 110.23 2cth n ALA 13 Ca 0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 2cth n ALA 13 Cb 0.81 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 2cth n ALA 13 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cth n THR 14 N -2.19 0.00 1.64 0.00 -2.24 -1.26 -5.02 114.28 105.21 2cth n THR 14 Ca 0.06 -1.57 0.10 0.00 -2.27 0.00 0.00 64.05 60.37 2cth n THR 14 Cb 0.42 0.38 0.47 0.00 -2.10 0.00 0.00 70.33 69.51 2cth n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2cth n LYS 15 N -0.77 1.34 -3.27 -0.78 5.02 -1.26 -4.11 118.16 114.33 2cth n LYS 15 Ca -0.11 -0.51 -0.26 0.00 -2.02 0.00 0.00 58.31 55.42 2cth n LYS 15 Cb 0.42 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.02 2cth n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2cth n GLN 16 N -0.27 2.02 -1.54 1.97 1.13 -1.26 -5.12 117.38 114.31 2cth n GLN 16 Ca 0.15 -4.21 -0.34 0.00 -1.94 0.00 0.00 57.00 50.66 2cth n GLN 16 Cb 0.19 -1.93 0.08 0.00 0.11 0.00 0.00 30.24 28.69 2cth n GLN 16 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2cth s PRO 17 N -2.26 2.34 0.01 -1.09 0.02 -1.26 -5.02 135.00 127.74 2cth s PRO 17 Ca 0.40 1.65 0.02 0.00 0.02 0.00 0.00 61.00 63.10 2cth s PRO 17 Cb 0.19 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.83 2cth s PRO 17 CO -0.06 -1.66 -0.07 0.08 -0.33 0.00 0.00 177.00 174.96 2cth s VAL 18 N -2.08 0.57 -0.13 3.83 1.01 -0.66 -4.88 120.40 118.07 2cth s VAL 18 Ca 0.72 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 2cth s VAL 18 Cb -0.27 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2cth s VAL 18 CO 0.44 0.03 0.30 -0.69 0.00 0.00 0.00 175.10 175.18 2cth s VAL 19 N -0.45 5.28 -0.17 2.92 1.01 -1.26 -0.55 120.40 127.18 2cth s VAL 19 Ca -0.00 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 2cth s VAL 19 Cb -0.04 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2cth s VAL 19 CO 0.00 0.44 -0.12 0.12 0.00 0.00 0.00 175.10 175.54 2cth s PHE 20 N 0.08 2.85 -0.22 5.22 5.36 0.22 -4.96 117.98 126.52 2cth s PHE 20 Ca 0.18 -0.95 -0.04 0.00 -0.96 0.00 0.00 56.93 55.16 2cth s PHE 20 Cb -0.13 -1.94 -0.01 0.00 -0.34 0.00 0.00 43.02 40.59 2cth s PHE 20 CO 0.05 -0.45 -0.05 -0.80 -1.46 0.00 0.00 175.22 172.52 2cth s ASN 21 N 0.92 4.27 0.40 6.13 0.01 -1.26 -3.06 114.94 122.36 2cth s ASN 21 Ca -0.02 -0.40 0.20 0.00 -0.71 0.00 0.00 52.86 51.93 2cth s ASN 21 Cb -0.15 -1.73 0.80 0.00 0.41 0.00 0.00 41.25 40.58 2cth s ASN 21 CO -0.01 -0.02 1.79 0.45 -1.51 0.00 0.00 177.10 177.80 2cth h HIS 22 N 8.11 0.00 -0.16 2.20 3.86 -1.84 -3.17 115.15 124.15 2cth h HIS 22 Ca -0.42 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.72 2cth h HIS 22 Cb 1.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 2cth h HIS 22 CO 0.58 0.32 -0.25 0.66 0.86 0.00 0.00 177.93 180.11 2cth h SER 23 N 0.00 0.28 0.32 2.45 4.64 -1.94 -2.03 113.55 117.26 2cth h SER 23 Ca -0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2cth h SER 23 Cb 0.80 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2cth h SER 23 CO 0.04 0.53 -0.02 0.35 -0.87 0.00 0.00 176.83 176.87 2cth n THR 24 N -4.16 0.00 -1.10 2.95 -2.24 -1.20 -3.28 114.28 105.26 2cth n THR 24 Ca -0.01 -0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.81 2cth n THR 24 Cb 0.37 -0.41 0.24 0.00 -2.10 0.00 0.00 70.33 68.43 2cth n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2cth n HIS 25 N -1.09 0.93 0.27 4.78 8.25 -0.77 -4.70 115.22 122.89 2cth n HIS 25 Ca 0.18 -1.05 0.09 0.00 -0.26 0.00 0.00 57.72 56.69 2cth n HIS 25 Cb 0.20 -0.35 0.45 0.00 1.12 0.00 0.00 29.99 31.41 2cth n HIS 25 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2cth n LYS 26 N -0.72 0.13 -0.00 -0.41 2.85 -1.20 -1.54 118.16 117.26 2cth n LYS 26 Ca 0.24 0.50 0.14 0.00 -1.05 0.00 0.00 58.31 58.14 2cth n LYS 26 Cb 0.91 -1.82 0.56 0.00 -0.65 0.00 0.00 35.03 34.04 2cth n LYS 26 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2cth n SER 27 N -2.07 1.35 -4.52 -5.58 3.41 -1.26 -4.81 113.62 100.14 2cth n SER 27 Ca 0.01 -1.46 -0.33 0.00 -0.26 0.00 0.00 58.87 56.82 2cth n SER 27 Cb 0.12 -0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.94 2cth n SER 27 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2cth s VAL 28 N -1.99 3.43 0.40 -3.33 1.01 -0.59 -5.10 120.40 114.22 2cth s VAL 28 Ca 0.39 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 2cth s VAL 28 Cb 0.21 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 2cth s VAL 28 CO 0.33 0.58 1.14 -0.75 0.00 0.00 0.00 175.10 176.41 2cth s LYS 29 N -0.60 4.09 0.20 2.72 2.20 -1.26 -4.94 119.74 122.17 2cth s LYS 29 Ca 0.09 1.78 -0.14 0.00 -0.36 0.00 0.00 55.97 57.33 2cth s LYS 29 Cb -0.12 -2.67 0.22 0.00 -1.51 0.00 0.00 37.83 33.75 2cth s LYS 29 CO 0.02 -0.27 1.63 0.00 -0.36 0.00 0.00 175.35 176.37 2cth n GLY 31 N -1.42 -0.71 0.09 0.00 0.00 -1.26 -0.94 105.19 100.96 2cth n GLY 31 Ca 0.07 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2cth n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cth n ASP 32 N -1.49 0.68 -0.02 1.61 8.00 -0.25 -3.64 116.55 121.45 2cth n ASP 32 Ca 0.02 0.57 -0.04 0.00 0.71 0.00 0.00 54.79 56.05 2cth n ASP 32 Cb 0.07 -0.75 -0.01 0.00 -0.02 0.00 0.00 41.12 40.41 2cth n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cth n HIS 34 N -3.03 3.15 -0.85 0.00 8.25 -0.11 -4.95 115.22 117.68 2cth n HIS 34 Ca -0.07 -2.88 -0.31 0.00 -0.26 0.00 0.00 57.72 54.20 2cth n HIS 34 Cb 0.56 -2.22 0.15 0.00 1.12 0.00 0.00 29.99 29.59 2cth n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2cth s HIS 35 N 1.57 1.88 0.30 4.41 -0.00 -1.24 -3.45 115.29 118.77 2cth s HIS 35 Ca 0.44 1.73 -0.29 0.00 -0.00 0.00 0.00 55.06 56.94 2cth s HIS 35 Cb 0.12 -3.27 -0.10 0.00 -0.00 0.00 0.00 32.58 29.33 2cth s HIS 35 CO -0.04 -2.54 1.43 -1.25 -0.00 0.00 0.00 174.74 172.34 2cth s PRO 36 N -4.72 4.25 -0.14 -0.38 0.04 -1.26 -1.75 135.00 131.04 2cth s PRO 36 Ca 0.65 2.36 -0.01 0.00 0.04 0.00 0.00 61.00 64.04 2cth s PRO 36 Cb -0.21 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2cth s PRO 36 CO 0.57 -0.40 -0.05 0.08 0.04 0.00 0.00 177.00 177.25 2cth s VAL 37 N -0.55 0.92 -1.43 -0.36 1.01 0.12 -4.77 120.40 115.34 2cth s VAL 37 Ca 0.55 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 2cth s VAL 37 Cb -0.43 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 34.93 2cth s VAL 37 CO 0.50 0.21 1.10 0.59 0.00 0.00 0.00 175.10 177.50 2cth n ASN 38 N 4.95 -5.78 0.00 3.32 4.13 -1.26 -2.58 115.26 118.04 2cth n ASN 38 Ca -0.11 -0.63 0.00 0.00 1.68 0.00 0.00 54.58 55.52 2cth n ASN 38 Cb 0.49 -4.57 0.00 0.00 -1.54 0.00 0.00 39.78 34.16 2cth n ASN 38 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cth n GLY 39 N -1.88 0.83 2.87 7.41 0.00 -1.26 -5.02 105.19 108.14 2cth n GLY 39 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2cth n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cth s LYS 40 N -0.29 0.36 0.30 1.61 2.20 -1.06 -5.04 119.74 117.82 2cth s LYS 40 Ca 0.00 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 2cth s LYS 40 Cb 0.00 -0.44 -0.11 0.00 -1.51 0.00 0.00 37.83 35.77 2cth s LYS 40 CO 0.00 -0.04 1.56 -1.21 -0.36 0.00 0.00 175.35 175.29 2cth s GLU 41 N 0.57 4.14 -0.14 4.03 2.02 -1.26 0.14 118.70 128.20 2cth s GLU 41 Ca -0.06 2.54 -0.03 0.00 0.02 0.00 0.00 54.97 57.45 2cth s GLU 41 Cb -0.09 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 2cth s GLU 41 CO -0.01 -0.59 -0.05 0.34 0.02 0.00 0.00 175.26 174.97 2cth s ASP 42 N 0.36 4.70 -0.04 -0.19 -1.08 -0.72 -4.86 116.67 114.85 2cth s ASP 42 Ca 0.61 -0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.72 2cth s ASP 42 Cb -0.47 -1.66 0.64 0.00 -1.46 0.00 0.00 42.92 39.98 2cth s ASP 42 CO 0.50 0.21 1.55 -1.22 0.52 0.00 0.00 175.17 176.72 2cth n TYR 43 N 3.27 1.12 -1.68 -5.34 4.02 -1.26 -4.24 117.16 113.04 2cth n TYR 43 Ca -0.18 -0.55 -0.29 0.00 -0.01 0.00 0.00 57.90 56.87 2cth n TYR 43 Cb 0.53 -0.10 0.10 0.00 -0.02 0.00 0.00 39.34 39.85 2cth n TYR 43 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2cth s ARG 44 N -1.34 1.91 0.37 -0.72 0.52 -1.26 -4.97 118.95 113.45 2cth s ARG 44 Ca 0.47 0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 55.79 2cth s ARG 44 Cb 0.27 -1.92 -0.11 0.00 0.52 0.00 0.00 34.95 33.71 2cth s ARG 44 CO 0.28 -1.69 1.37 1.63 0.02 0.00 0.00 175.30 176.91 2cth n LYS 45 N -3.43 2.33 -0.05 3.54 5.02 -1.26 -4.88 118.16 119.42 2cth n LYS 45 Ca 0.07 0.82 0.05 0.00 -2.02 0.00 0.00 58.31 57.22 2cth n LYS 45 Cb 0.58 -2.47 0.41 0.00 -0.02 0.00 0.00 35.03 33.53 2cth n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cth n GLY 47 N -1.47 1.50 3.74 0.00 0.00 -1.26 -1.64 105.19 106.06 2cth n GLY 47 Ca 0.05 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 2cth n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cth s THR 48 N -1.70 2.05 0.17 2.61 2.01 -0.66 -4.47 115.64 115.65 2cth s THR 48 Ca 0.26 0.03 -0.34 0.00 0.31 0.00 0.00 61.69 61.96 2cth s THR 48 Cb 0.17 -3.02 -0.14 0.00 0.01 0.00 0.00 72.50 69.52 2cth s THR 48 CO 0.12 -0.00 1.49 0.00 -0.69 0.00 0.00 174.62 175.54 2cth n ALA 49 N -1.53 0.88 0.00 7.40 0.00 -1.26 -0.42 120.51 125.58 2cth n ALA 49 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2cth n ALA 49 Cb 0.47 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2cth n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cth n GLY 50 N 2.96 1.52 0.00 0.00 0.00 -1.26 -4.97 105.19 103.43 2cth n GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2cth n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cth n HIS 52 N 0.00 2.55 -0.42 0.00 8.25 -0.65 -4.68 115.22 120.27 2cth n HIS 52 Ca 0.00 -2.67 0.10 0.00 -0.26 0.00 0.00 57.72 54.88 2cth n HIS 52 Cb 0.00 -1.51 0.29 0.00 1.12 0.00 0.00 29.99 29.89 2cth n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2cth n ASP 53 N 2.25 3.92 -4.59 0.41 5.68 -1.14 -4.10 116.55 118.98 2cth n ASP 53 Ca 0.31 -2.15 -0.42 0.00 -0.50 0.00 0.00 54.79 52.02 2cth n ASP 53 Cb 0.34 -0.45 -0.05 0.00 -1.14 0.00 0.00 41.12 39.82 2cth n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2cth s SER 54 N -1.02 6.55 -0.10 -1.12 0.15 -0.67 -4.91 113.70 112.58 2cth s SER 54 Ca 0.43 0.36 0.09 0.00 0.70 0.00 0.00 55.95 57.54 2cth s SER 54 Cb 0.25 -2.39 0.44 0.00 -1.71 0.00 0.00 66.02 62.61 2cth s SER 54 CO 0.26 -0.71 1.22 0.23 1.20 0.00 0.00 173.24 175.45 2cth n MET 55 N 6.36 2.92 -3.11 5.44 2.81 -1.26 -1.60 117.12 128.68 2cth n MET 55 Ca 0.03 -1.70 -0.43 0.00 -1.81 0.00 0.00 57.70 53.78 2cth n MET 55 Cb 0.48 -1.80 -0.07 0.00 -0.71 0.00 0.00 33.22 31.13 2cth n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2cth s ASP 56 N -0.56 6.32 0.00 7.83 -1.08 -1.26 -4.91 116.67 123.00 2cth s ASP 56 Ca 0.30 -0.38 0.07 0.00 -0.52 0.00 0.00 52.55 52.02 2cth s ASP 56 Cb 0.21 -2.32 0.32 0.00 -1.46 0.00 0.00 42.92 39.67 2cth s ASP 56 CO 0.11 -0.80 1.21 2.29 0.52 0.00 0.00 175.17 178.51 2cth n LYS 57 N 6.28 0.02 0.00 4.34 2.85 -1.26 -0.98 118.16 129.40 2cth n LYS 57 Ca -0.02 0.35 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 2cth n LYS 57 Cb 0.48 -1.50 0.16 0.00 -0.65 0.00 0.00 35.03 33.52 2cth n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2cth n LYS 58 N -1.47 1.46 -2.70 -1.58 5.02 -1.26 -4.84 118.16 112.80 2cth n LYS 58 Ca 0.02 -1.11 -0.43 0.00 -2.02 0.00 0.00 58.31 54.77 2cth n LYS 58 Cb 0.08 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 2cth n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2cth s ASP 59 N -2.31 6.83 -0.07 4.39 2.15 -0.15 -4.87 116.67 122.64 2cth s ASP 59 Ca 0.24 0.88 0.13 0.00 0.43 0.00 0.00 52.55 54.23 2cth s ASP 59 Cb 0.19 -2.52 0.41 0.00 -0.30 0.00 0.00 42.92 40.71 2cth s ASP 59 CO 0.47 -0.88 1.34 0.29 -0.17 0.00 0.00 175.17 176.22 2cth n LYS 60 N 6.87 2.96 -1.51 4.34 4.76 -1.26 -4.42 118.16 129.89 2cth n LYS 60 Ca 0.10 -2.38 -0.29 0.00 -2.87 0.00 0.00 58.31 52.88 2cth n LYS 60 Cb 0.48 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.32 2cth n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2cth s SER 61 N -1.29 3.09 0.12 4.39 1.04 -1.26 -4.91 113.70 114.88 2cth s SER 61 Ca 0.32 0.85 0.09 0.00 0.48 0.00 0.00 55.95 57.69 2cth s SER 61 Cb 0.21 -1.32 0.48 0.00 0.10 0.00 0.00 66.02 65.48 2cth s SER 61 CO 0.14 -2.80 1.28 0.00 0.98 0.00 0.00 173.24 172.84 2cth n ALA 62 N -3.91 1.07 0.62 5.32 0.00 -1.26 -1.87 120.51 120.48 2cth n ALA 62 Ca 0.08 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.72 2cth n ALA 62 Cb 0.59 -1.14 0.24 0.00 0.00 0.00 0.00 19.45 19.14 2cth n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cth n LYS 63 N -1.79 0.26 -2.12 0.00 5.02 -1.26 -4.74 118.16 113.53 2cth n LYS 63 Ca -0.00 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 2cth n LYS 63 Cb 0.03 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 2cth n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2cth s GLY 64 N -3.59 1.65 0.01 0.72 0.00 -0.78 -1.67 107.32 103.66 2cth s GLY 64 Ca 0.08 0.89 -0.23 0.00 0.00 0.00 0.00 44.72 45.46 2cth s GLY 64 CO 0.69 2.79 1.33 -1.82 0.00 0.00 0.00 173.10 176.08 2cth h TYR 65 N 8.68 0.20 -0.76 1.90 3.20 -1.45 -2.37 116.97 126.36 2cth h TYR 65 Ca -0.38 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.49 2cth h TYR 65 Cb 1.17 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 2cth h TYR 65 CO 0.82 0.58 0.46 -0.92 -1.64 0.00 0.00 178.16 177.47 2cth h TYR 66 N -0.25 0.86 -0.38 -3.82 5.03 -1.89 -2.79 116.97 113.73 2cth h TYR 66 Ca 0.01 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.40 2cth h TYR 66 Cb 0.54 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.50 2cth h TYR 66 CO 0.08 0.45 0.12 1.25 -1.32 0.00 0.00 178.16 178.74 2cth h HIS 67 N 0.87 0.21 0.00 -3.82 2.76 -1.75 -2.10 115.15 111.33 2cth h HIS 67 Ca 0.32 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 2cth h HIS 67 Cb 0.11 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2cth h HIS 67 CO -0.05 0.07 0.00 -0.39 -1.30 0.00 0.00 177.93 176.27 2cth h VAL 68 N 0.27 0.00 0.00 5.26 -1.51 -1.15 -1.36 116.25 117.76 2cth h VAL 68 Ca 0.18 -0.32 -0.12 0.00 -1.23 0.00 0.00 66.70 65.20 2cth h VAL 68 Cb 0.17 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 2cth h VAL 68 CO -0.20 0.00 -1.54 0.23 -1.23 0.00 0.00 177.57 174.83 2cth n MET 69 N -2.89 0.63 -0.01 5.19 2.81 -0.84 -4.14 117.12 117.87 2cth n MET 69 Ca -0.00 0.10 -0.01 0.00 -1.81 0.00 0.00 57.70 55.97 2cth n MET 69 Cb 0.23 -1.73 -0.02 0.00 -0.71 0.00 0.00 33.22 30.99 2cth n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2cth n HIS 70 N -2.71 0.00 -1.83 2.03 -0.00 -0.90 -2.16 115.22 109.65 2cth n HIS 70 Ca -0.09 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.31 2cth n HIS 70 Cb 0.76 -0.11 0.02 0.00 -0.00 0.00 0.00 29.99 30.66 2cth n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2cth s ASP 71 N -3.42 5.82 -0.08 0.41 1.01 -0.54 -4.39 116.67 115.48 2cth s ASP 71 Ca -0.02 1.59 0.19 0.00 0.71 0.00 0.00 52.55 55.03 2cth s ASP 71 Cb 0.01 -2.50 -0.29 0.00 1.01 0.00 0.00 42.92 41.15 2cth s ASP 71 CO 0.09 -1.14 0.32 0.29 0.21 0.00 0.00 175.17 174.93 2cth n LYS 72 N -2.65 0.72 -2.15 8.23 4.01 -1.26 -4.34 118.16 120.71 2cth n LYS 72 Ca 0.07 -0.13 -0.41 0.00 -0.51 0.00 0.00 58.31 57.34 2cth n LYS 72 Cb 0.54 -1.49 -0.00 0.00 -0.51 0.00 0.00 35.03 33.57 2cth n LYS 72 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2cth n ASN 73 N -2.38 6.72 -4.37 4.39 5.03 -1.26 -4.93 115.26 118.47 2cth n ASN 73 Ca -0.13 -3.13 -0.23 0.00 0.87 0.00 0.00 54.58 51.96 2cth n ASN 73 Cb 0.74 -1.41 -0.11 0.00 -1.02 0.00 0.00 39.78 37.97 2cth n ASN 73 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2cth s THR 74 N -0.48 2.01 0.27 3.41 -4.23 -1.26 -5.06 115.64 110.30 2cth s THR 74 Ca 0.47 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 59.09 2cth s THR 74 Cb 0.14 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 2cth s THR 74 CO -0.05 -0.26 1.61 0.11 -0.54 0.00 0.00 174.62 175.49 2cth h LYS 75 N 3.18 0.08 -6.51 3.99 6.56 -1.99 -3.43 116.57 118.46 2cth h LYS 75 Ca -0.43 -0.05 -0.64 0.00 -1.06 0.00 0.00 60.65 58.46 2cth h LYS 75 Cb 1.21 0.01 -0.17 0.00 -0.57 0.00 0.00 32.23 32.71 2cth h LYS 75 CO 0.51 0.65 -0.78 -0.06 -2.06 0.00 0.00 179.45 177.71 2cth s PHE 76 N -3.69 2.41 0.25 -1.35 0.08 -1.26 -5.10 117.98 109.32 2cth s PHE 76 Ca -0.02 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 2cth s PHE 76 Cb 0.13 -1.17 -0.09 0.00 -0.57 0.00 0.00 43.02 41.31 2cth s PHE 76 CO 0.77 0.53 1.13 0.15 -0.10 0.00 0.00 175.22 177.71 2cth s LYS 77 N -2.84 4.59 0.83 0.44 1.02 -1.26 -5.04 119.74 117.48 2cth s LYS 77 Ca 0.23 1.84 -0.09 0.00 0.02 0.00 0.00 55.97 57.97 2cth s LYS 77 Cb -0.08 -3.20 0.14 0.00 -0.52 0.00 0.00 37.83 34.17 2cth s LYS 77 CO 0.12 0.11 1.15 -1.54 -0.92 0.00 0.00 175.35 174.27 2cth s SER 78 N -0.56 3.92 0.11 2.83 1.04 -1.26 -4.81 113.70 114.97 2cth s SER 78 Ca 0.47 0.14 -0.29 0.00 0.48 0.00 0.00 55.95 56.74 2cth s SER 78 Cb -0.32 -0.43 -0.10 0.00 0.10 0.00 0.00 66.02 65.27 2cth s SER 78 CO 0.40 -2.18 1.61 0.00 0.98 0.00 0.00 173.24 174.05 2cth h VAL 80 N -0.59 1.27 -0.24 0.00 2.07 -1.68 -1.94 116.25 115.15 2cth h VAL 80 Ca 0.02 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.30 2cth h VAL 80 Cb 0.60 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2cth h VAL 80 CO -0.17 0.44 -0.00 1.23 0.02 0.00 0.00 177.57 179.09 2cth h GLY 81 N 0.80 0.23 1.15 2.17 0.00 -1.71 0.25 103.07 105.95 2cth h GLY 81 Ca 0.12 0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 2cth h GLY 81 CO 0.05 -0.05 -0.28 0.00 0.00 0.00 0.00 176.54 176.26 2cth h HIS 83 N 0.80 0.39 -0.90 0.00 3.86 -0.59 -1.26 115.15 117.44 2cth h HIS 83 Ca 0.09 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2cth h HIS 83 Cb 0.86 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 2cth h HIS 83 CO 0.05 0.39 0.57 0.28 0.86 0.00 0.00 177.93 180.09 2cth h VAL 84 N 0.37 1.24 -0.52 2.45 2.07 -0.41 -0.13 116.25 121.33 2cth h VAL 84 Ca 0.09 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2cth h VAL 84 Cb 0.24 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2cth h VAL 84 CO 0.00 0.24 -0.07 -0.33 0.02 0.00 0.00 177.57 177.44 2cth h GLU 85 N 1.23 0.93 -0.37 1.57 5.08 -1.34 -2.13 114.58 119.57 2cth h GLU 85 Ca 0.33 -0.31 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2cth h GLU 85 Cb -0.10 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2cth h GLU 85 CO -0.07 0.97 -0.41 0.28 -1.00 0.00 0.00 179.01 178.78 2cth h VAL 86 N 0.85 1.27 -0.00 3.13 2.07 -0.89 -3.24 116.25 119.43 2cth h VAL 86 Ca 0.14 -1.58 -0.15 0.00 0.82 0.00 0.00 66.70 65.93 2cth h VAL 86 Cb 0.59 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2cth h VAL 86 CO 0.04 0.53 -0.73 0.00 0.02 0.00 0.00 177.57 177.43 2cth h ALA 87 N 0.76 0.79 -0.90 1.67 0.00 -1.00 -3.49 119.26 117.09 2cth h ALA 87 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2cth h ALA 87 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2cth h ALA 87 CO 0.10 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.66 2cth n GLY 88 N 0.56 1.54 2.61 0.00 0.00 -0.80 -2.67 105.19 106.42 2cth n GLY 88 Ca -0.01 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 2cth n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cth n ALA 89 N 5.88 6.10 -3.35 4.61 0.00 -1.26 -4.84 120.51 127.65 2cth n ALA 89 Ca 0.00 -3.96 -0.36 0.00 0.00 0.00 0.00 53.44 49.12 2cth n ALA 89 Cb 0.00 -1.54 -0.13 0.00 0.00 0.00 0.00 19.45 17.77 2cth n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cth s ASP 90 N -1.92 4.81 0.27 0.00 -1.08 -1.09 -4.99 116.67 112.66 2cth s ASP 90 Ca 0.55 -0.68 -0.00 0.00 -0.52 0.00 0.00 52.55 51.90 2cth s ASP 90 Cb 0.45 -1.81 0.51 0.00 -1.46 0.00 0.00 42.92 40.61 2cth s ASP 90 CO -0.23 -0.14 1.81 0.00 0.52 0.00 0.00 175.17 177.13 2cth h ALA 91 N 8.16 1.39 -0.33 3.66 0.00 -1.91 -0.80 119.26 129.43 2cth h ALA 91 Ca -0.33 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2cth h ALA 91 Cb 1.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2cth h ALA 91 CO 0.59 0.13 0.06 0.00 0.00 0.00 0.00 179.25 180.03 2cth h ALA 92 N 1.52 0.44 -0.24 0.00 0.00 -1.96 -1.13 119.26 117.90 2cth h ALA 92 Ca 0.47 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2cth h ALA 92 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2cth h ALA 92 CO -0.28 0.14 -0.29 0.87 0.00 0.00 0.00 179.25 179.69 2cth h LYS 93 N 0.39 0.48 -0.58 0.00 1.57 -1.81 -2.09 116.57 114.53 2cth h LYS 93 Ca 0.10 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2cth h LYS 93 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2cth h LYS 93 CO 0.01 0.73 -0.01 0.87 -0.57 0.00 0.00 179.45 180.47 2cth h LYS 94 N 0.42 1.02 -0.16 3.15 1.57 -0.96 0.88 116.57 122.48 2cth h LYS 94 Ca 0.06 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 2cth h LYS 94 Cb 0.72 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2cth h LYS 94 CO 0.06 1.00 0.07 -0.22 -0.57 0.00 0.00 179.45 179.79 2cth h LYS 95 N 0.93 0.24 -0.11 3.15 3.64 -0.97 -0.13 116.57 123.32 2cth h LYS 95 Ca 0.17 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 2cth h LYS 95 Cb 0.55 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2cth h LYS 95 CO 0.03 0.30 -0.73 -0.44 -2.27 0.00 0.00 179.45 176.33 2cth h ASP 96 N 0.13 0.65 0.06 4.20 3.32 -1.22 -3.20 116.42 120.36 2cth h ASP 96 Ca 0.06 -0.42 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 2cth h ASP 96 Cb 0.14 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2cth h ASP 96 CO -0.01 1.18 -2.02 0.18 -1.72 0.00 0.00 179.24 176.86 2cth n LEU 97 N -3.88 0.06 0.00 1.55 4.77 0.29 -1.11 117.00 118.68 2cth n LEU 97 Ca -0.05 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2cth n LEU 97 Cb 0.71 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2cth n LEU 97 CO 0.50 0.09 0.05 0.35 -1.33 0.00 0.00 177.39 177.04 2cth n THR 98 N -2.38 0.00 -2.28 -5.08 -2.24 -0.11 -4.86 114.28 97.33 2cth n THR 98 Ca -0.09 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 2cth n THR 98 Cb 0.69 1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 70.01 2cth n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2cth s GLY 99 N -0.48 2.67 0.44 3.38 0.00 -0.94 -4.94 107.32 107.45 2cth s GLY 99 Ca 0.00 0.84 0.23 0.00 0.00 0.00 0.00 44.72 45.79 2cth s GLY 99 CO 0.00 1.22 1.61 0.00 0.00 0.00 0.00 173.10 175.93 2cth s LYS 101 N -3.21 0.45 -1.60 0.00 1.02 -1.26 -4.73 119.74 110.42 2cth s LYS 101 Ca 0.07 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2cth s LYS 101 Cb 0.05 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 2cth s LYS 101 CO 0.67 -0.10 0.00 1.63 -0.92 0.00 0.00 175.35 176.63 2cth n LYS 102 N 1.53 -1.40 -3.90 1.68 5.02 -0.49 -4.99 118.16 115.61 2cth n LYS 102 Ca -0.22 0.91 -0.27 0.00 -2.02 0.00 0.00 58.31 56.71 2cth n LYS 102 Cb 0.56 -5.37 -0.01 0.00 -0.02 0.00 0.00 35.03 30.19 2cth n LYS 102 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2cth n SER 103 N -1.34 2.81 0.06 4.39 3.41 -0.80 -4.74 113.62 117.41 2cth n SER 103 Ca -0.21 -2.91 0.12 0.00 -0.26 0.00 0.00 58.87 55.60 2cth n SER 103 Cb 0.65 -0.00 0.46 0.00 -0.26 0.00 0.00 64.21 65.06 2cth n SER 103 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cth n LYS 104 N -1.73 0.11 -0.09 4.33 5.02 -0.27 -3.52 118.16 122.01 2cth n LYS 104 Ca -0.04 0.21 -0.22 0.00 -2.02 0.00 0.00 58.31 56.24 2cth n LYS 104 Cb 0.62 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 33.85 2cth n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cth s HIS 106 N -2.39 3.13 -2.00 0.00 3.76 -1.23 -4.59 115.29 111.98 2cth s HIS 106 Ca -0.28 -2.18 0.09 0.00 -0.15 0.00 0.00 55.06 52.53 2cth s HIS 106 Cb 0.06 -1.90 0.51 0.00 1.11 0.00 0.00 32.58 32.36 2cth s HIS 106 CO 0.61 -0.86 0.96 -0.85 -0.85 0.00 0.00 174.74 173.75