#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctt s SER 2 N 0.00 0.72 0.34 1.61 0.01 -1.26 -5.19 113.70 109.93 2ctt s SER 2 Ca 0.00 -1.43 0.04 0.00 1.31 0.00 0.00 55.95 55.87 2ctt s SER 2 Cb 0.00 0.56 -0.06 0.00 0.21 0.00 0.00 66.02 66.73 2ctt s SER 2 CO 0.00 -1.11 0.06 -0.44 0.41 0.00 0.00 173.24 172.16 2ctt s SER 3 N -3.21 2.46 0.21 2.44 0.01 -1.26 -5.17 113.70 109.18 2ctt s SER 3 Ca 0.33 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 56.21 2ctt s SER 3 Cb 0.02 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 2ctt s SER 3 CO 0.18 -0.63 0.04 -0.83 0.41 0.00 0.00 173.24 172.41 2ctt s GLY 4 N -3.51 1.46 -0.26 3.44 0.00 -1.26 -5.16 107.32 102.04 2ctt s GLY 4 Ca 0.35 -1.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.09 2ctt s GLY 4 CO 0.15 -1.57 1.02 -0.45 0.00 0.00 0.00 173.10 172.26 2ctt s SER 5 N -3.24 -0.44 -0.22 1.64 0.15 -1.26 -5.18 113.70 105.16 2ctt s SER 5 Ca 0.30 0.78 -0.29 0.00 0.70 0.00 0.00 55.95 57.45 2ctt s SER 5 Cb 0.07 0.77 0.14 0.00 -1.71 0.00 0.00 66.02 65.29 2ctt s SER 5 CO 0.08 -0.19 1.10 -0.94 1.20 0.00 0.00 173.24 174.50 2ctt s SER 6 N -0.02 -0.30 -0.30 5.45 1.04 -1.26 -5.16 113.70 113.15 2ctt s SER 6 Ca 0.02 0.40 -0.12 0.00 0.48 0.00 0.00 55.95 56.74 2ctt s SER 6 Cb -0.04 0.35 0.17 0.00 0.10 0.00 0.00 66.02 66.59 2ctt s SER 6 CO -0.05 -0.23 0.92 -0.83 0.98 0.00 0.00 173.24 174.04 2ctt s GLY 7 N -0.75 -0.39 -0.30 7.32 0.00 -1.26 -5.14 107.32 106.79 2ctt s GLY 7 Ca 0.02 2.75 -0.05 0.00 0.00 0.00 0.00 44.72 47.43 2ctt s GLY 7 CO -0.03 3.39 0.62 -0.29 0.00 0.00 0.00 173.10 176.80 2ctt s MET 8 N 2.68 0.57 0.00 2.90 -2.45 -1.26 -5.03 119.30 116.71 2ctt s MET 8 Ca 0.01 1.22 0.00 0.00 -1.25 0.00 0.00 55.69 55.67 2ctt s MET 8 Cb -0.09 0.70 0.00 0.00 1.25 0.00 0.00 34.83 36.69 2ctt s MET 8 CO -0.16 -0.42 0.00 0.39 1.05 0.00 0.00 175.02 175.88 2ctt n GLU 9 N 5.44 0.00 -1.05 4.11 1.02 -1.26 -5.05 120.64 123.85 2ctt n GLU 9 Ca -0.06 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.61 2ctt n GLU 9 Cb 0.50 -0.60 -0.10 0.00 -0.02 0.00 0.00 31.44 31.22 2ctt n GLU 9 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ctt n LEU 10 N -2.03 0.57 -4.11 -4.62 7.99 -1.26 -4.89 117.00 108.64 2ctt n LEU 10 Ca 0.00 0.51 -0.21 0.00 -0.01 0.00 0.00 56.01 56.30 2ctt n LEU 10 Cb 0.19 -0.74 -0.14 0.00 -0.11 0.00 0.00 43.42 42.62 2ctt n LEU 10 CO 0.00 -0.62 -0.46 0.42 -1.51 0.00 0.00 177.39 175.21 2ctt s THR 11 N 5.21 1.05 0.10 -5.08 -4.23 -1.26 -5.14 115.64 106.28 2ctt s THR 11 Ca 1.00 -0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 60.50 2ctt s THR 11 Cb -1.20 -0.91 0.08 0.00 1.34 0.00 0.00 72.50 71.80 2ctt s THR 11 CO 0.52 0.16 0.91 -0.36 -0.54 0.00 0.00 174.62 175.32 2ctt s PHE 12 N -0.54 -0.23 -0.16 3.99 0.08 -1.26 -5.18 117.98 114.67 2ctt s PHE 12 Ca 0.03 -0.01 -0.28 0.00 0.12 0.00 0.00 56.93 56.79 2ctt s PHE 12 Cb -0.06 0.60 0.08 0.00 -0.57 0.00 0.00 43.02 43.07 2ctt s PHE 12 CO 0.00 -0.73 0.78 -0.80 -0.10 0.00 0.00 175.22 174.38 2ctt s ASN 13 N -2.76 -0.62 0.16 1.36 0.01 -1.26 -5.18 114.94 106.65 2ctt s ASN 13 Ca 0.09 0.91 -0.24 0.00 -0.71 0.00 0.00 52.86 52.92 2ctt s ASN 13 Cb -0.01 0.83 0.08 0.00 0.41 0.00 0.00 41.25 42.55 2ctt s ASN 13 CO -0.03 -0.41 1.04 0.00 -1.51 0.00 0.00 177.10 176.20 2ctt s GLN 14 N -0.53 1.20 0.43 -0.60 -2.07 -1.26 -5.19 119.66 111.64 2ctt s GLN 14 Ca -0.05 -0.74 0.02 0.00 -1.82 0.00 0.00 55.36 52.77 2ctt s GLN 14 Cb -0.02 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.25 2ctt s GLN 14 CO 0.04 -0.56 0.08 0.00 -1.32 0.00 0.00 175.29 173.54 2ctt n ALA 15 N -0.64 0.50 -2.32 2.60 0.00 -1.26 -5.18 120.51 114.21 2ctt n ALA 15 Ca -0.04 -2.08 -0.19 0.00 0.00 0.00 0.00 53.44 51.14 2ctt n ALA 15 Cb 0.60 1.29 -0.09 0.00 0.00 0.00 0.00 19.45 21.25 2ctt n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctt s ALA 16 N -2.98 1.92 0.42 0.00 0.00 -1.26 -5.18 121.76 114.69 2ctt s ALA 16 Ca 0.12 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.34 2ctt s ALA 16 Cb 0.01 1.22 -0.01 0.00 0.00 0.00 0.00 23.12 24.33 2ctt s ALA 16 CO 0.08 -0.54 0.14 1.63 0.00 0.00 0.00 175.76 177.08 2ctt n LYS 17 N -0.58 0.58 0.00 0.00 4.76 -1.26 -5.17 118.16 116.48 2ctt n LYS 17 Ca 0.02 -3.56 0.00 0.00 -2.87 0.00 0.00 58.31 51.90 2ctt n LYS 17 Cb 0.64 1.89 0.00 0.00 -1.84 0.00 0.00 35.03 35.73 2ctt n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctt n GLY 18 N -0.91 1.21 3.26 0.72 0.00 -1.26 -5.15 105.19 103.07 2ctt n GLY 18 Ca -0.07 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.87 2ctt n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctt s VAL 19 N 1.48 0.00 -0.24 1.61 -7.23 -1.26 -5.15 120.40 109.61 2ctt s VAL 19 Ca 0.00 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2ctt s VAL 19 Cb 0.00 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 2ctt s VAL 19 CO 0.00 0.00 -0.00 0.20 -0.31 0.00 0.00 175.10 174.99 2ctt s ASN 20 N -3.25 4.59 0.01 4.85 -0.87 -1.26 -5.09 114.94 113.93 2ctt s ASN 20 Ca 0.39 -0.49 -0.11 0.00 -1.57 0.00 0.00 52.86 51.08 2ctt s ASN 20 Cb 0.04 -1.79 0.01 0.00 -0.02 0.00 0.00 41.25 39.50 2ctt s ASN 20 CO 0.19 -0.07 0.23 -0.75 -2.57 0.00 0.00 177.10 174.13 2ctt s LYS 21 N 1.48 0.63 0.06 -0.60 2.47 -1.26 -5.12 119.74 117.41 2ctt s LYS 21 Ca 0.05 -0.39 -0.28 0.00 -1.56 0.00 0.00 55.97 53.79 2ctt s LYS 21 Cb -0.15 0.27 -0.15 0.00 -1.46 0.00 0.00 37.83 36.34 2ctt s LYS 21 CO -0.01 -0.17 0.69 -0.85 0.16 0.00 0.00 175.35 175.16 2ctt n GLU 22 N 1.13 0.00 -3.79 4.03 0.28 -1.26 -4.96 120.64 116.07 2ctt n GLU 22 Ca -0.21 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.66 2ctt n GLU 22 Cb 0.57 -1.05 -0.12 0.00 1.43 0.00 0.00 31.44 32.27 2ctt n GLU 22 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2ctt s PHE 23 N -0.30 -0.22 0.47 -1.84 0.08 -1.26 -5.14 117.98 109.76 2ctt s PHE 23 Ca 0.64 0.54 -0.23 0.00 0.12 0.00 0.00 56.93 58.01 2ctt s PHE 23 Cb -0.91 0.06 -0.09 0.00 -0.57 0.00 0.00 43.02 41.50 2ctt s PHE 23 CO 0.45 -0.12 1.01 2.41 -0.10 0.00 0.00 175.22 178.87 2ctt n THR 24 N 3.22 2.71 -1.05 0.64 -1.04 -1.26 -4.74 114.28 112.76 2ctt n THR 24 Ca -0.15 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 60.94 2ctt n THR 24 Cb 0.57 -1.18 -0.06 0.00 -1.82 0.00 0.00 70.33 67.85 2ctt n THR 24 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2ctt n VAL 25 N -0.78 0.00 -1.57 12.58 3.14 -1.26 -4.88 118.33 125.56 2ctt n VAL 25 Ca 0.10 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.18 2ctt n VAL 25 Cb 0.41 -0.06 0.10 0.00 -1.06 0.00 0.00 33.84 33.22 2ctt n VAL 25 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2ctt s ASN 26 N 0.39 4.36 0.47 6.55 -0.87 -1.26 -4.98 114.94 119.60 2ctt s ASN 26 Ca 0.64 1.23 -0.23 0.00 -1.57 0.00 0.00 52.86 52.93 2ctt s ASN 26 Cb -0.90 -1.94 -0.09 0.00 -0.02 0.00 0.00 41.25 38.30 2ctt s ASN 26 CO 0.42 -2.04 1.04 -0.38 -2.57 0.00 0.00 177.10 173.56 2ctt n ILE 27 N -3.47 2.75 -3.95 0.60 5.41 -1.26 -4.94 119.36 114.49 2ctt n ILE 27 Ca 0.07 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 63.01 2ctt n ILE 27 Cb 0.57 -1.22 -0.15 0.00 -0.71 0.00 0.00 39.64 38.13 2ctt n ILE 27 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 2ctt s MET 28 N -2.22 1.48 0.17 0.38 -1.94 -1.26 -2.74 119.30 113.16 2ctt s MET 28 Ca 0.66 -1.43 0.04 0.00 -1.71 0.00 0.00 55.69 53.24 2ctt s MET 28 Cb -0.51 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 2ctt s MET 28 CO 0.55 -0.81 0.14 -3.47 -0.01 0.00 0.00 175.02 171.41 2ctt n ASP 29 N 4.49 -0.25 -4.65 3.03 2.03 -0.77 -4.94 116.55 115.49 2ctt n ASP 29 Ca -0.04 -2.09 -0.47 0.00 0.52 0.00 0.00 54.79 52.71 2ctt n ASP 29 Cb 0.42 0.81 -0.04 0.00 -0.72 0.00 0.00 41.12 41.60 2ctt n ASP 29 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2ctt n THR 30 N -0.33 0.16 -0.92 5.18 -1.04 -1.26 0.34 114.28 116.41 2ctt n THR 30 Ca 0.03 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 2ctt n THR 30 Cb 0.30 -1.34 0.07 0.00 -1.82 0.00 0.00 70.33 67.54 2ctt n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n GLU 32 N 0.97 1.47 -0.12 0.00 0.28 -1.26 -3.54 120.64 118.43 2ctt n GLU 32 Ca 0.01 0.02 -0.11 0.00 -0.16 0.00 0.00 57.16 56.92 2ctt n GLU 32 Cb 0.58 -1.14 -0.02 0.00 1.43 0.00 0.00 31.44 32.29 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2ctt h ARG 33 N 0.00 0.60 0.00 3.44 2.43 -1.98 -3.20 114.38 115.67 2ctt h ARG 33 Ca -0.16 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2ctt h ARG 33 Cb 1.29 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2ctt h ARG 33 CO -0.01 0.71 -0.91 0.00 -1.51 0.00 0.00 179.97 178.24 2ctt n ASN 35 N -1.46 -5.82 -0.59 0.00 5.03 -1.21 -2.23 115.26 108.97 2ctt n ASN 35 Ca 0.03 -0.35 -0.05 0.00 0.87 0.00 0.00 54.58 55.08 2ctt n ASN 35 Cb 0.30 -4.56 -0.00 0.00 -1.02 0.00 0.00 39.78 34.50 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ctt n GLY 36 N -1.62 0.20 0.19 7.41 0.00 -1.24 -4.87 105.19 105.26 2ctt n GLY 36 Ca -0.06 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 2ctt n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctt n LYS 37 N -1.47 0.54 0.00 1.61 4.76 -0.95 -4.85 118.16 117.81 2ctt n LYS 37 Ca -0.05 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2ctt n LYS 37 Cb 0.54 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 2ctt n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctt n GLY 38 N 1.41 1.24 3.13 0.72 0.00 -1.26 -4.89 105.19 105.53 2ctt n GLY 38 Ca -0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 2ctt n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctt s ASN 39 N -2.00 0.10 0.32 1.61 4.22 -1.26 -2.42 114.94 115.51 2ctt s ASN 39 Ca 0.00 -0.41 -0.29 0.00 -2.14 0.00 0.00 52.86 50.02 2ctt s ASN 39 Cb 0.00 0.24 -0.11 0.00 1.28 0.00 0.00 41.25 42.66 2ctt s ASN 39 CO 0.00 -0.48 1.42 -1.61 -2.04 0.00 0.00 177.10 174.38 2ctt s GLU 40 N -2.27 4.24 0.00 3.55 2.02 -1.10 -4.51 118.70 120.63 2ctt s GLU 40 Ca -0.08 2.37 0.08 0.00 0.02 0.00 0.00 54.97 57.37 2ctt s GLU 40 Cb -0.03 -3.05 0.50 0.00 0.10 0.00 0.00 34.13 31.66 2ctt s GLU 40 CO -0.03 -0.39 0.95 -0.35 0.02 0.00 0.00 175.26 175.47 2ctt n PRO 41 N 1.21 0.49 -1.59 0.39 -0.04 -1.26 -2.57 135.00 131.63 2ctt n PRO 41 Ca 0.03 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.52 2ctt n PRO 41 Cb 0.40 -1.27 0.05 0.00 -0.04 0.00 0.00 33.50 32.64 2ctt n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ctt n GLY 42 N -0.01 1.75 3.62 0.55 0.00 -1.26 -5.09 105.19 104.74 2ctt n GLY 42 Ca 0.06 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 2ctt n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctt s THR 43 N -1.05 1.65 0.50 2.61 -4.23 -1.06 -5.16 115.64 108.90 2ctt s THR 43 Ca 0.34 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 2ctt s THR 43 Cb 0.38 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 71.46 2ctt s THR 43 CO -0.13 0.00 0.70 -1.59 -0.54 0.00 0.00 174.62 173.05 2ctt s LYS 44 N -3.77 2.70 -0.02 3.99 -2.85 -1.26 -4.98 119.74 113.54 2ctt s LYS 44 Ca 0.29 -0.87 -0.07 0.00 -1.00 0.00 0.00 55.97 54.32 2ctt s LYS 44 Cb 0.08 -2.58 0.01 0.00 -2.06 0.00 0.00 37.83 33.28 2ctt s LYS 44 CO 0.14 -0.52 0.16 0.08 0.10 0.00 0.00 175.35 175.32 2ctt s VAL 45 N -2.61 0.05 -0.10 1.79 1.01 -1.26 -4.04 120.40 115.25 2ctt s VAL 45 Ca 0.55 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2ctt s VAL 45 Cb -0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2ctt s VAL 45 CO 0.37 -0.24 -0.11 -1.10 0.00 0.00 0.00 175.10 174.02 2ctt s GLN 46 N -0.86 3.04 0.13 2.72 -0.21 -1.07 -4.97 119.66 118.45 2ctt s GLN 46 Ca -0.09 -0.64 -0.31 0.00 0.02 0.00 0.00 55.36 54.34 2ctt s GLN 46 Cb -0.05 -2.59 -0.10 0.00 1.00 0.00 0.00 33.01 31.27 2ctt s GLN 46 CO 0.01 0.43 1.72 -1.58 -2.12 0.00 0.00 175.29 173.75 2ctt s HIS 47 N -0.19 2.51 0.33 0.91 5.65 -1.26 -0.03 115.29 123.20 2ctt s HIS 47 Ca 0.01 0.24 -0.17 0.00 0.25 0.00 0.00 55.06 55.40 2ctt s HIS 47 Cb -0.13 -4.08 -0.09 0.00 -1.18 0.00 0.00 32.58 27.10 2ctt s HIS 47 CO 0.03 -4.27 0.77 0.00 -0.65 0.00 0.00 174.74 170.62 2ctt n HIS 49 N -0.27 0.02 -0.26 0.00 -0.00 -1.26 -2.94 115.22 110.51 2ctt n HIS 49 Ca 0.03 0.01 -0.07 0.00 0.46 0.00 0.00 57.72 58.15 2ctt n HIS 49 Cb 0.53 -1.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.34 2ctt n HIS 49 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2ctt n TYR 50 N -3.74 -0.27 -0.05 1.57 4.02 -1.26 -2.27 117.16 115.16 2ctt n TYR 50 Ca -0.50 0.77 -0.18 0.00 -0.01 0.00 0.00 57.90 57.98 2ctt n TYR 50 Cb 0.94 -0.53 -0.13 0.00 -0.02 0.00 0.00 39.34 39.60 2ctt n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ctt n GLY 52 N 2.02 0.67 0.39 0.00 0.00 -0.96 -4.21 105.19 103.09 2ctt n GLY 52 Ca -0.35 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2ctt n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 53 N -2.53 1.32 0.00 -0.02 0.00 -1.15 -4.95 105.19 97.86 2ctt n GLY 53 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ctt n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctt n SER 54 N 0.39 3.26 0.00 1.61 3.41 -1.26 -4.84 113.62 116.19 2ctt n SER 54 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ctt n SER 54 Cb 0.11 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2ctt n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctt n GLY 55 N 2.13 0.89 2.84 5.00 0.00 -1.26 -4.84 105.19 109.94 2ctt n GLY 55 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 2ctt n GLY 55 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ctt s MET 56 N -2.24 0.09 0.11 1.61 -2.45 -1.26 -4.07 119.30 111.09 2ctt s MET 56 Ca 0.00 0.05 0.07 0.00 -1.25 0.00 0.00 55.69 54.56 2ctt s MET 56 Cb 0.00 -0.21 -0.04 0.00 1.25 0.00 0.00 34.83 35.83 2ctt s MET 56 CO 0.00 -0.07 -0.10 -2.00 1.05 0.00 0.00 175.02 173.91 2ctt s GLU 57 N 0.50 2.13 -0.16 4.11 2.56 -0.41 -3.99 118.70 123.45 2ctt s GLU 57 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 54.97 53.89 2ctt s GLU 57 Cb -0.07 -2.30 -0.00 0.00 2.00 0.00 0.00 34.13 33.76 2ctt s GLU 57 CO -0.01 0.50 -0.15 0.99 -0.56 0.00 0.00 175.26 176.04 2ctt s THR 58 N -1.24 2.73 -0.32 -1.70 2.01 -1.26 -2.84 115.64 113.01 2ctt s THR 58 Ca 0.22 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.36 2ctt s THR 58 Cb -0.11 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 2ctt s THR 58 CO 0.14 0.51 0.17 -0.63 -0.69 0.00 0.00 174.62 174.13 2ctt s ILE 59 N 0.81 4.81 -0.66 1.82 1.09 -1.05 -4.99 121.20 123.03 2ctt s ILE 59 Ca -0.05 -0.33 -0.22 0.00 -1.10 0.00 0.00 60.65 58.95 2ctt s ILE 59 Cb -0.15 -3.44 0.07 0.00 -1.06 0.00 0.00 42.46 37.88 2ctt s ILE 59 CO 0.00 0.06 0.96 0.20 -0.10 0.00 0.00 174.94 176.06 2ctt s ASN 60 N 1.65 6.18 -0.18 3.58 0.02 -1.26 -1.35 114.94 123.58 2ctt s ASN 60 Ca 0.05 -1.03 0.00 0.00 -1.02 0.00 0.00 52.86 50.86 2ctt s ASN 60 Cb -0.17 -2.41 0.04 0.00 0.02 0.00 0.00 41.25 38.73 2ctt s ASN 60 CO 0.08 -1.42 -0.07 0.28 0.02 0.00 0.00 177.10 175.98 2ctt s THR 61 N 3.97 1.31 0.00 1.60 -1.32 -1.04 -5.04 115.64 115.12 2ctt s THR 61 Ca 0.22 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 2ctt s THR 61 Cb -0.17 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.38 2ctt s THR 61 CO 0.10 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 2ctt n GLY 62 N 4.81 0.92 0.00 6.08 0.00 -1.26 -2.25 105.19 113.48 2ctt n GLY 62 Ca -0.13 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.20 2ctt n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 63 N 0.00 0.49 -4.58 1.61 -0.04 -1.26 -4.74 135.00 126.47 2ctt n PRO 63 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2ctt n PRO 63 Cb 0.00 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.99 2ctt n PRO 63 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ctt s PHE 64 N -2.00 1.95 -0.02 0.54 -0.12 -0.95 -5.17 117.98 112.22 2ctt s PHE 64 Ca 0.18 -1.03 -0.03 0.00 -0.05 0.00 0.00 56.93 56.00 2ctt s PHE 64 Cb 0.08 -1.40 0.00 0.00 -0.63 0.00 0.00 43.02 41.07 2ctt s PHE 64 CO 0.14 0.03 0.07 0.08 -0.05 0.00 0.00 175.22 175.48 2ctt s VAL 65 N -3.07 0.02 0.45 -2.49 1.01 -1.26 -2.50 120.40 112.56 2ctt s VAL 65 Ca 0.23 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.09 2ctt s VAL 65 Cb 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.27 2ctt s VAL 65 CO 0.12 -0.11 0.53 -0.04 0.00 0.00 0.00 175.10 175.60 2ctt s MET 66 N -0.33 2.62 -0.13 2.72 -1.94 -0.46 -4.96 119.30 116.83 2ctt s MET 66 Ca -0.04 -1.44 -0.03 0.00 -1.71 0.00 0.00 55.69 52.47 2ctt s MET 66 Cb -0.03 -2.58 0.05 0.00 2.01 0.00 0.00 34.83 34.28 2ctt s MET 66 CO 0.00 -0.35 0.06 1.03 -0.01 0.00 0.00 175.02 175.74 2ctt s ARG 67 N -4.32 0.27 0.04 2.03 1.81 -1.26 -2.52 118.95 115.00 2ctt s ARG 67 Ca 0.53 -0.03 -0.00 0.00 -1.72 0.00 0.00 55.73 54.50 2ctt s ARG 67 Cb -0.07 -1.46 -0.03 0.00 -0.45 0.00 0.00 34.95 32.94 2ctt s ARG 67 CO 0.31 -0.52 -0.03 0.45 -0.68 0.00 0.00 175.30 174.83 2ctt s SER 68 N 2.05 0.44 0.29 0.23 0.15 -1.13 -5.03 113.70 110.70 2ctt s SER 68 Ca 0.02 -0.82 -0.30 0.00 0.70 0.00 0.00 55.95 55.56 2ctt s SER 68 Cb -0.15 0.16 -0.12 0.00 -1.71 0.00 0.00 66.02 64.20 2ctt s SER 68 CO -0.07 -0.48 1.54 0.41 1.20 0.00 0.00 173.24 175.84 2ctt n THR 69 N 0.64 1.09 -0.90 6.45 -1.04 -1.26 -1.29 114.28 117.97 2ctt n THR 69 Ca -0.18 -0.27 -0.35 0.00 -2.04 0.00 0.00 64.05 61.21 2ctt n THR 69 Cb 0.59 -1.85 0.08 0.00 -1.82 0.00 0.00 70.33 67.33 2ctt n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n ARG 71 N 0.78 1.34 0.02 0.00 1.85 -1.26 -3.92 116.66 115.46 2ctt n ARG 71 Ca 0.01 0.01 -0.12 0.00 -1.00 0.00 0.00 57.85 56.74 2ctt n ARG 71 Cb 0.61 -1.03 -0.08 0.00 -1.05 0.00 0.00 32.46 30.90 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ctt h ARG 72 N 0.00 0.00 0.08 2.89 2.47 -1.98 -3.34 114.38 114.50 2ctt h ARG 72 Ca -0.04 -0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.33 2ctt h ARG 72 Cb 1.07 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.35 2ctt h ARG 72 CO -0.00 0.20 -1.99 0.00 0.56 0.00 0.00 179.97 178.74 2ctt n GLY 74 N 1.90 1.84 1.73 0.00 0.00 -1.25 -4.47 105.19 104.94 2ctt n GLY 74 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2ctt n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 75 N -0.89 0.66 0.00 -0.02 0.00 -1.26 -4.88 105.19 98.80 2ctt n GLY 75 Ca 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 2ctt n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctt n ARG 76 N -0.77 1.38 0.00 1.61 3.00 -1.26 -4.71 116.66 115.91 2ctt n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2ctt n ARG 76 Cb 0.49 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.94 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ctt n GLY 77 N 3.31 2.07 3.34 5.14 0.00 -1.26 -4.64 105.19 113.14 2ctt n GLY 77 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2ctt n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 78 N -1.81 0.07 -0.33 1.61 0.01 -1.26 -2.21 113.70 109.77 2ctt s SER 78 Ca 0.00 -1.01 -0.18 0.00 1.31 0.00 0.00 55.95 56.07 2ctt s SER 78 Cb 0.00 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 2ctt s SER 78 CO 0.00 -0.91 0.50 -0.63 0.41 0.00 0.00 173.24 172.61 2ctt s ILE 79 N -4.02 5.04 -0.44 1.44 1.09 0.95 -4.40 121.20 120.86 2ctt s ILE 79 Ca 0.23 0.40 -0.29 0.00 -1.10 0.00 0.00 60.65 59.89 2ctt s ILE 79 Cb 0.04 -3.92 0.02 0.00 -1.06 0.00 0.00 42.46 37.54 2ctt s ILE 79 CO 0.04 -0.15 1.21 -0.63 -0.10 0.00 0.00 174.94 175.30 2ctt s ILE 80 N 2.35 4.15 0.31 2.92 1.01 -1.26 -2.58 121.20 128.09 2ctt s ILE 80 Ca 0.18 1.20 0.09 0.00 0.00 0.00 0.00 60.65 62.12 2ctt s ILE 80 Cb -0.16 -4.48 0.03 0.00 0.01 0.00 0.00 42.46 37.87 2ctt s ILE 80 CO 0.13 -0.89 1.70 0.40 0.00 0.00 0.00 174.94 176.28 2ctt h ILE 81 N 6.24 1.34 -3.29 2.92 5.03 -1.97 -3.40 117.51 124.38 2ctt h ILE 81 Ca -0.24 -1.63 -0.57 0.00 -0.12 0.00 0.00 64.86 62.30 2ctt h ILE 81 Cb 1.07 1.83 -0.40 0.00 -3.03 0.00 0.00 36.82 36.29 2ctt h ILE 81 CO 1.11 0.48 -0.76 -0.44 -0.68 0.00 0.00 178.15 177.85 2ctt s SER 82 N -6.89 3.63 0.33 1.72 0.01 -1.26 -5.10 113.70 106.14 2ctt s SER 82 Ca -0.03 -1.29 -0.28 0.00 1.31 0.00 0.00 55.95 55.66 2ctt s SER 82 Cb 0.13 -0.84 -0.10 0.00 0.21 0.00 0.00 66.02 65.43 2ctt s SER 82 CO 0.76 -0.35 1.22 -2.16 0.41 0.00 0.00 173.24 173.12 2ctt s PRO 83 N 1.65 4.39 0.51 12.44 0.04 -1.26 -2.70 135.00 150.07 2ctt s PRO 83 Ca 0.03 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 2ctt s PRO 83 Cb -0.17 -3.04 -0.12 0.00 0.04 0.00 0.00 34.50 31.20 2ctt s PRO 83 CO -0.16 -0.09 -0.25 0.00 0.04 0.00 0.00 177.00 176.55 2ctt n VAL 85 N -1.43 0.28 -0.06 0.00 0.24 -1.26 -3.18 118.33 112.92 2ctt n VAL 85 Ca 0.04 -0.64 -0.13 0.00 -2.04 0.00 0.00 64.34 61.57 2ctt n VAL 85 Cb 0.40 1.13 -0.04 0.00 -1.47 0.00 0.00 33.84 33.85 2ctt n VAL 85 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2ctt n VAL 86 N 1.03 0.84 0.47 3.34 0.31 -1.26 -4.75 118.33 118.31 2ctt n VAL 86 Ca 0.13 -0.13 0.10 0.00 -0.01 0.00 0.00 64.34 64.42 2ctt n VAL 86 Cb 0.47 -1.73 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 2ctt n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ctt n ARG 88 N -1.82 -5.53 -2.96 0.00 5.12 -1.19 -2.93 116.66 107.36 2ctt n ARG 88 Ca 0.00 0.66 -0.16 0.00 -1.93 0.00 0.00 57.85 56.42 2ctt n ARG 88 Cb 0.41 -5.13 0.04 0.00 -1.16 0.00 0.00 32.46 26.62 2ctt n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ctt n GLY 89 N -1.30 -0.12 0.13 -0.13 0.00 -1.26 -4.81 105.19 97.70 2ctt n GLY 89 Ca -0.15 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 2ctt n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctt n ALA 90 N -3.46 1.45 0.00 4.61 0.00 -1.15 -4.91 120.51 117.05 2ctt n ALA 90 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.26 2ctt n ALA 90 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2ctt n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctt n GLY 91 N 2.20 2.87 3.57 0.00 0.00 -1.26 -5.02 105.19 107.55 2ctt n GLY 91 Ca -0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 2ctt n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctt s GLN 92 N -0.70 1.87 0.05 1.61 1.11 -1.26 -1.23 119.66 121.10 2ctt s GLN 92 Ca 0.00 -1.98 -0.28 0.00 0.01 0.00 0.00 55.36 53.11 2ctt s GLN 92 Cb 0.00 -1.70 0.10 0.00 -1.01 0.00 0.00 33.01 30.40 2ctt s GLN 92 CO 0.00 0.09 1.18 0.00 0.01 0.00 0.00 175.29 176.57 2ctt s ALA 93 N -2.63 -2.05 -0.46 6.09 0.00 0.15 -4.28 121.76 118.58 2ctt s ALA 93 Ca 0.33 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 2ctt s ALA 93 Cb 0.04 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 2ctt s ALA 93 CO 0.17 -1.07 1.67 0.15 0.00 0.00 0.00 175.76 176.69 2ctt s LYS 94 N -2.56 3.20 0.07 0.00 1.02 -1.26 -1.84 119.74 118.37 2ctt s LYS 94 Ca 0.16 0.96 -0.11 0.00 0.02 0.00 0.00 55.97 57.01 2ctt s LYS 94 Cb 0.02 -4.20 -0.06 0.00 -0.52 0.00 0.00 37.83 33.07 2ctt s LYS 94 CO -0.01 -2.03 0.41 -0.65 -0.92 0.00 0.00 175.35 172.15 2ctt s GLN 95 N 5.83 3.79 0.29 1.68 -1.52 -1.11 -4.95 119.66 123.68 2ctt s GLN 95 Ca 0.68 0.22 -0.12 0.00 -1.95 0.00 0.00 55.36 54.19 2ctt s GLN 95 Cb -0.16 -3.02 -0.10 0.00 -0.22 0.00 0.00 33.01 29.51 2ctt s GLN 95 CO 0.29 0.57 -0.02 1.17 -0.25 0.00 0.00 175.29 177.05 2ctt n LYS 96 N 1.03 0.00 -2.81 2.91 3.00 -1.26 -4.27 118.16 116.76 2ctt n LYS 96 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.80 2ctt n LYS 96 Cb 0.52 -0.63 -0.03 0.00 0.00 0.00 0.00 35.03 34.89 2ctt n LYS 96 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2ctt s LYS 97 N -0.63 4.26 0.06 1.64 1.02 -1.26 -4.83 119.74 120.00 2ctt s LYS 97 Ca 0.37 1.13 -0.06 0.00 0.02 0.00 0.00 55.97 57.42 2ctt s LYS 97 Cb -0.35 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.33 2ctt s LYS 97 CO 0.41 -0.47 0.11 1.03 -0.92 0.00 0.00 175.35 175.51 2ctt s ARG 98 N 2.64 0.68 0.06 1.68 0.52 -1.26 -5.13 118.95 118.13 2ctt s ARG 98 Ca 0.40 -0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 54.41 2ctt s ARG 98 Cb -0.16 0.27 -0.08 0.00 0.52 0.00 0.00 34.95 35.50 2ctt s ARG 98 CO 0.10 -0.18 1.56 0.45 0.02 0.00 0.00 175.30 177.24 2ctt s SER 99 N -2.50 6.69 0.00 0.23 0.15 -1.26 -4.91 113.70 112.10 2ctt s SER 99 Ca 0.00 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.03 2ctt s SER 99 Cb 0.02 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2ctt s SER 99 CO -0.08 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.16 2ctt n GLY 100 N 3.85 2.94 1.05 9.45 0.00 -1.26 -5.17 105.19 116.05 2ctt n GLY 100 Ca 0.15 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 2ctt n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 101 N 0.00 -1.66 -4.51 1.61 -0.04 -1.26 -5.10 135.00 124.04 2ctt n PRO 101 Ca 0.00 -0.52 -0.24 0.00 -0.04 0.00 0.00 63.50 62.70 2ctt n PRO 101 Cb 0.00 -0.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.86 2ctt n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctt s SER 102 N -2.39 2.85 -0.17 3.54 0.15 -1.26 -5.16 113.70 111.25 2ctt s SER 102 Ca 0.21 -1.39 -0.30 0.00 0.70 0.00 0.00 55.95 55.17 2ctt s SER 102 Cb -0.02 -0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.29 2ctt s SER 102 CO 0.16 -0.58 1.06 -0.55 1.20 0.00 0.00 173.24 174.53 2ctt s SER 103 N -3.56 -0.30 0.00 5.45 0.15 -1.26 -5.32 113.70 108.86 2ctt s SER 103 Ca 0.35 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2ctt s SER 103 Cb 0.09 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2ctt s SER 103 CO 0.16 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.90