#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 7.09 0.06 1.61 0.01 -1.26 -5.05 113.70 116.16 2ctt s SER 2 Ca 0.00 1.59 -0.27 0.00 1.31 0.00 0.00 55.95 58.58 2ctt s SER 2 Cb 0.00 -2.49 0.09 0.00 0.21 0.00 0.00 66.02 63.83 2ctt s SER 2 CO 0.00 -0.11 1.18 -0.44 0.41 0.00 0.00 173.24 174.27 2ctt s SER 3 N -1.84 -0.04 0.00 2.44 0.01 -1.26 -5.19 113.70 107.82 2ctt s SER 3 Ca 0.51 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2ctt s SER 3 Cb -0.15 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2ctt s SER 3 CO 0.20 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2ctt n GLY 4 N -0.65 1.95 3.79 3.44 0.00 -1.26 -5.19 105.19 107.28 2ctt n GLY 4 Ca -0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 2ctt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 5 N 0.00 -0.11 -0.05 1.61 0.01 -1.26 -5.19 113.70 108.72 2ctt s SER 5 Ca 0.00 -0.85 -0.29 0.00 1.31 0.00 0.00 55.95 56.12 2ctt s SER 5 Cb 0.00 0.74 0.06 0.00 0.21 0.00 0.00 66.02 67.04 2ctt s SER 5 CO 0.00 -1.42 0.64 -0.55 0.41 0.00 0.00 173.24 172.32 2ctt s SER 6 N -2.99 -0.61 0.00 2.44 0.15 -1.26 -5.17 113.70 106.26 2ctt s SER 6 Ca 0.15 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2ctt s SER 6 Cb -0.05 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2ctt s SER 6 CO 0.09 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2ctt n GLY 7 N 0.98 2.91 2.81 9.45 0.00 -1.26 -5.15 105.19 114.93 2ctt n GLY 7 Ca -0.19 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2ctt n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ctt s MET 8 N -0.23 0.97 0.07 1.61 1.00 -1.26 -5.12 119.30 116.33 2ctt s MET 8 Ca 0.00 -0.31 -0.26 0.00 0.00 0.00 0.00 55.69 55.12 2ctt s MET 8 Cb 0.00 -1.74 0.09 0.00 0.00 0.00 0.00 34.83 33.18 2ctt s MET 8 CO 0.00 -0.45 0.77 -1.83 0.00 0.00 0.00 175.02 173.50 2ctt s GLU 9 N 1.80 1.02 -0.06 2.03 1.03 -1.26 -5.17 118.70 118.09 2ctt s GLU 9 Ca 0.02 -0.38 0.04 0.00 0.03 0.00 0.00 54.97 54.68 2ctt s GLU 9 Cb -0.15 0.47 -0.00 0.00 -0.80 0.00 0.00 34.13 33.65 2ctt s GLU 9 CO -0.07 -0.45 -0.18 -1.17 -1.33 0.00 0.00 175.26 172.06 2ctt s LEU 10 N -2.60 1.91 -0.26 1.83 2.96 -1.26 -5.03 118.68 116.23 2ctt s LEU 10 Ca 0.03 -0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 2ctt s LEU 10 Cb -0.01 -1.07 -0.15 0.00 0.50 0.00 0.00 46.19 45.47 2ctt s LEU 10 CO -0.11 0.14 -0.21 0.41 -1.32 0.00 0.00 176.35 175.27 2ctt n THR 11 N 3.30 1.54 -3.38 3.68 -1.04 -1.26 -5.02 114.28 112.10 2ctt n THR 11 Ca -0.19 -0.37 -0.19 0.00 -2.04 0.00 0.00 64.05 61.26 2ctt n THR 11 Cb 0.53 -1.83 0.07 0.00 -1.82 0.00 0.00 70.33 67.27 2ctt n THR 11 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2ctt n PHE 12 N -4.10 -2.32 -4.12 -1.42 7.35 -1.26 -5.01 117.46 106.58 2ctt n PHE 12 Ca -0.49 0.84 -0.28 0.00 -0.76 0.00 0.00 57.45 56.76 2ctt n PHE 12 Cb 0.88 -4.38 -0.17 0.00 0.35 0.00 0.00 39.48 36.16 2ctt n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2ctt s ASN 13 N -3.37 2.32 -0.52 -2.13 2.47 -1.26 -5.08 114.94 107.36 2ctt s ASN 13 Ca 0.43 -0.38 0.04 0.00 0.42 0.00 0.00 52.86 53.37 2ctt s ASN 13 Cb -0.19 -0.98 0.15 0.00 -1.45 0.00 0.00 41.25 38.79 2ctt s ASN 13 CO 0.60 -0.06 0.34 -1.58 -3.72 0.00 0.00 177.10 172.68 2ctt s GLN 14 N 1.39 1.66 -0.36 0.43 2.00 -1.26 -4.98 119.66 118.54 2ctt s GLN 14 Ca 0.01 -2.51 -0.04 0.00 -2.00 0.00 0.00 55.36 50.82 2ctt s GLN 14 Cb -0.13 -2.62 0.02 0.00 0.80 0.00 0.00 33.01 31.08 2ctt s GLN 14 CO -0.06 -1.23 2.85 0.00 -0.50 0.00 0.00 175.29 176.34 2ctt n ALA 15 N 2.88 6.30 -2.30 1.58 0.00 -1.26 -4.39 120.51 123.33 2ctt n ALA 15 Ca 0.15 -2.69 -0.19 0.00 0.00 0.00 0.00 53.44 50.72 2ctt n ALA 15 Cb 0.37 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.74 2ctt n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctt n ALA 16 N 1.11 4.44 -0.12 0.00 0.00 -1.26 -4.76 120.51 119.93 2ctt n ALA 16 Ca 0.46 -3.63 -0.20 0.00 0.00 0.00 0.00 53.44 50.07 2ctt n ALA 16 Cb 0.62 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 2ctt n ALA 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2ctt n LYS 17 N -0.61 0.54 -1.36 0.00 2.85 -1.26 -5.09 118.16 113.23 2ctt n LYS 17 Ca 0.34 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 2ctt n LYS 17 Cb 0.87 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.84 2ctt n LYS 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctt n GLY 18 N 2.06 -0.47 2.62 2.58 0.00 -1.26 -4.90 105.19 105.82 2ctt n GLY 18 Ca -0.43 -0.18 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 2ctt n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ctt n VAL 19 N -0.57 0.00 -2.04 1.61 0.24 -1.26 -4.85 118.33 111.47 2ctt n VAL 19 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 2ctt n VAL 19 Cb 0.11 -0.19 0.02 0.00 -1.47 0.00 0.00 33.84 32.32 2ctt n VAL 19 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2ctt n ASN 20 N 2.01 5.26 -3.65 -1.34 2.85 -1.26 -4.96 115.26 114.17 2ctt n ASN 20 Ca 0.19 -3.75 -0.14 0.00 -0.11 0.00 0.00 54.58 50.77 2ctt n ASN 20 Cb 0.01 -0.45 -0.13 0.00 1.24 0.00 0.00 39.78 40.44 2ctt n ASN 20 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2ctt s LYS 21 N -3.63 0.15 0.17 1.20 2.47 -1.26 -5.04 119.74 113.80 2ctt s LYS 21 Ca 0.52 0.72 -0.12 0.00 -1.56 0.00 0.00 55.97 55.53 2ctt s LYS 21 Cb 0.42 -0.10 0.19 0.00 -1.46 0.00 0.00 37.83 36.88 2ctt s LYS 21 CO -0.03 -0.31 1.09 0.39 0.16 0.00 0.00 175.35 176.66 2ctt n GLU 22 N 5.35 -0.15 -1.33 4.03 1.02 -1.26 -4.29 120.64 124.01 2ctt n GLU 22 Ca -0.06 1.09 -0.54 0.00 -0.02 0.00 0.00 57.16 57.62 2ctt n GLU 22 Cb 0.50 -1.61 -0.12 0.00 -0.02 0.00 0.00 31.44 30.19 2ctt n GLU 22 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2ctt n PHE 23 N -5.05 1.09 -2.85 -0.32 3.72 -1.26 -4.90 117.46 107.89 2ctt n PHE 23 Ca 0.08 0.62 -0.20 0.00 -0.05 0.00 0.00 57.45 57.90 2ctt n PHE 23 Cb 0.29 -2.34 0.04 0.00 -0.94 0.00 0.00 39.48 36.53 2ctt n PHE 23 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2ctt s THR 24 N 6.90 2.64 -0.02 4.37 -4.23 -1.26 -5.05 115.64 118.99 2ctt s THR 24 Ca 1.22 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2ctt s THR 24 Cb -1.35 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 2ctt s THR 24 CO 0.60 0.00 0.20 0.54 -0.54 0.00 0.00 174.62 175.41 2ctt s VAL 25 N -2.63 5.42 0.49 2.29 0.11 -1.26 -5.11 120.40 119.70 2ctt s VAL 25 Ca 0.58 -0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.64 2ctt s VAL 25 Cb -0.09 -3.53 0.04 0.00 -1.53 0.00 0.00 36.38 31.27 2ctt s VAL 25 CO 0.37 0.36 0.67 0.20 -3.33 0.00 0.00 175.10 173.37 2ctt s ASN 26 N -1.81 5.41 -0.03 3.54 0.01 -1.26 -4.88 114.94 115.93 2ctt s ASN 26 Ca 0.26 -0.42 -0.30 0.00 -0.71 0.00 0.00 52.86 51.69 2ctt s ASN 26 Cb -0.13 -0.49 -0.05 0.00 0.41 0.00 0.00 41.25 40.99 2ctt s ASN 26 CO 0.17 -1.00 1.44 -0.63 -1.51 0.00 0.00 177.10 175.57 2ctt s ILE 27 N -2.53 3.73 -0.24 0.60 1.01 -1.26 -4.99 121.20 117.52 2ctt s ILE 27 Ca 0.57 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 62.24 2ctt s ILE 27 Cb -0.09 -3.68 0.09 0.00 0.01 0.00 0.00 42.46 38.79 2ctt s ILE 27 CO 0.36 -0.03 0.14 -0.04 0.00 0.00 0.00 174.94 175.37 2ctt s MET 28 N 2.85 0.16 0.66 2.79 -1.94 -1.26 -4.61 119.30 117.95 2ctt s MET 28 Ca 0.65 -0.24 0.01 0.00 -1.71 0.00 0.00 55.69 54.40 2ctt s MET 28 Cb -0.31 -1.36 0.10 0.00 2.01 0.00 0.00 34.83 35.27 2ctt s MET 28 CO 0.26 -0.85 0.92 0.34 -0.01 0.00 0.00 175.02 175.68 2ctt s ASP 29 N 2.17 4.64 0.18 3.03 2.15 -0.90 -4.78 116.67 123.16 2ctt s ASP 29 Ca 0.06 -0.35 -0.31 0.00 0.43 0.00 0.00 52.55 52.38 2ctt s ASP 29 Cb -0.16 -0.16 -0.10 0.00 -0.30 0.00 0.00 42.92 42.21 2ctt s ASP 29 CO -0.23 -1.64 1.53 -0.89 -0.17 0.00 0.00 175.17 173.77 2ctt s THR 30 N -3.00 2.68 1.00 1.71 2.01 -1.26 -0.55 115.64 118.23 2ctt s THR 30 Ca 0.64 0.50 -0.19 0.00 0.31 0.00 0.00 61.69 62.95 2ctt s THR 30 Cb -0.06 -3.32 -0.13 0.00 0.01 0.00 0.00 72.50 68.99 2ctt s THR 30 CO 0.42 0.05 -0.84 0.00 -0.69 0.00 0.00 174.62 173.56 2ctt n GLU 32 N 1.88 0.75 0.22 0.00 1.02 -1.26 -3.64 120.64 119.60 2ctt n GLU 32 Ca -0.01 0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 2ctt n GLU 32 Cb 0.61 -1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2ctt h ARG 33 N 0.00 -0.53 0.00 3.49 2.43 -1.97 -3.20 114.38 114.60 2ctt h ARG 33 Ca -0.21 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2ctt h ARG 33 Cb 1.35 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 2ctt h ARG 33 CO -0.02 -0.24 -0.63 0.00 -1.51 0.00 0.00 179.97 177.57 2ctt n ASN 35 N -1.85 -5.21 -1.10 0.00 3.02 -1.21 -2.55 115.26 106.36 2ctt n ASN 35 Ca 0.04 -0.45 -0.09 0.00 -0.03 0.00 0.00 54.58 54.05 2ctt n ASN 35 Cb 0.40 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ctt n GLY 36 N -1.68 0.07 0.20 7.41 0.00 -1.24 -4.88 105.19 105.08 2ctt n GLY 36 Ca -0.02 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.90 0.53 0.00 1.61 4.76 -1.06 -4.92 118.16 117.19 2ctt n LYS 37 Ca -0.08 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2ctt n LYS 37 Cb 0.57 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 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 1.44 1.86 3.43 0.72 0.00 -1.26 -4.93 105.19 106.45 2ctt n GLY 38 Ca -0.43 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.56 0.34 1.61 4.22 -1.26 -3.80 114.94 113.49 2ctt s ASN 39 Ca 0.00 0.15 -0.29 0.00 -2.14 0.00 0.00 52.86 50.59 2ctt s ASN 39 Cb 0.00 0.57 -0.11 0.00 1.28 0.00 0.00 41.25 43.00 2ctt s ASN 39 CO 0.00 -0.87 1.44 -1.61 -2.04 0.00 0.00 177.10 174.03 2ctt s GLU 40 N -3.10 4.19 -1.19 3.55 2.02 -1.11 -4.33 118.70 118.74 2ctt s GLU 40 Ca -0.02 2.45 -0.23 0.00 0.02 0.00 0.00 54.97 57.19 2ctt s GLU 40 Cb -0.01 -3.02 -0.09 0.00 0.10 0.00 0.00 34.13 31.12 2ctt s GLU 40 CO -0.07 -0.44 1.93 -0.35 0.02 0.00 0.00 175.26 176.35 2ctt n PRO 41 N 0.92 1.60 0.00 0.39 -0.04 -1.26 -2.15 135.00 134.46 2ctt n PRO 41 Ca 0.02 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 2ctt n PRO 41 Cb 0.40 -3.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.13 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 5.77 -0.92 3.79 0.55 0.00 -1.26 -5.14 105.19 107.98 2ctt n GLY 42 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 5.09 1.17 2.61 -4.23 -0.91 -5.10 115.64 114.27 2ctt s THR 43 Ca 0.00 0.05 -0.14 0.00 -1.18 0.00 0.00 61.69 60.42 2ctt s THR 43 Cb 0.00 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.91 2ctt s THR 43 CO 0.00 0.59 1.03 -0.75 -0.54 0.00 0.00 174.62 174.95 2ctt s LYS 44 N -0.76 -0.99 -0.03 3.99 2.20 -1.26 -4.92 119.74 117.96 2ctt s LYS 44 Ca 0.13 0.61 -0.06 0.00 -0.36 0.00 0.00 55.97 56.29 2ctt s LYS 44 Cb -0.12 -1.56 0.01 0.00 -1.51 0.00 0.00 37.83 34.65 2ctt s LYS 44 CO 0.03 -3.71 0.14 0.08 -0.36 0.00 0.00 175.35 171.53 2ctt s VAL 45 N -2.57 0.04 0.10 4.02 1.01 -1.26 -4.09 120.40 117.65 2ctt s VAL 45 Ca 0.68 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.38 2ctt s VAL 45 Cb -0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2ctt s VAL 45 CO 0.62 -0.18 -0.01 -1.10 0.00 0.00 0.00 175.10 174.43 2ctt s GLN 46 N -0.61 2.48 -0.04 2.72 -0.21 -0.63 -4.96 119.66 118.41 2ctt s GLN 46 Ca -0.07 -0.90 -0.29 0.00 0.02 0.00 0.00 55.36 54.12 2ctt s GLN 46 Cb -0.04 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 2ctt s GLN 46 CO 0.01 0.52 0.95 -1.58 -2.12 0.00 0.00 175.29 173.07 2ctt s HIS 47 N -1.36 3.60 0.44 0.91 5.65 -1.26 0.28 115.29 123.55 2ctt s HIS 47 Ca 0.26 1.61 -0.15 0.00 0.25 0.00 0.00 55.06 57.02 2ctt s HIS 47 Cb -0.11 -3.10 -0.08 0.00 -1.18 0.00 0.00 32.58 28.11 2ctt s HIS 47 CO 0.18 -0.07 0.88 0.00 -0.65 0.00 0.00 174.74 175.08 2ctt n HIS 49 N -1.23 0.00 -0.26 0.00 -0.00 -1.26 -3.73 115.22 108.74 2ctt n HIS 49 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.70 2ctt n HIS 49 Cb 0.54 -0.47 -0.06 0.00 -0.00 0.00 0.00 29.99 30.00 2ctt n HIS 49 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2ctt n TYR 50 N -3.11 -0.27 -0.03 1.57 4.02 -1.26 -2.14 117.16 115.94 2ctt n TYR 50 Ca -0.23 0.76 -0.20 0.00 -0.01 0.00 0.00 57.90 58.22 2ctt n TYR 50 Cb 0.71 -0.53 -0.14 0.00 -0.02 0.00 0.00 39.34 39.37 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 2.04 0.73 0.11 0.00 0.00 -0.91 -4.19 105.19 102.98 2ctt n GLY 52 Ca -0.35 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.33 1.71 0.00 -0.02 0.00 -1.24 -4.99 105.19 98.32 2ctt n GLY 53 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ctt n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctt n SER 54 N 0.11 4.47 -0.63 1.61 2.88 -1.26 -4.83 113.62 115.97 2ctt n SER 54 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2ctt n SER 54 Cb 0.02 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 2ctt n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctt n GLY 55 N 2.46 0.49 2.92 0.46 0.00 -1.26 -4.87 105.19 105.40 2ctt n GLY 55 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.65 0.08 0.17 1.61 -2.45 -1.26 -3.88 119.30 108.92 2ctt s MET 56 Ca 0.04 0.26 0.06 0.00 -1.25 0.00 0.00 55.69 54.80 2ctt s MET 56 Cb -0.02 -0.11 -0.04 0.00 1.25 0.00 0.00 34.83 35.92 2ctt s MET 56 CO 0.05 -0.11 0.09 -2.00 1.05 0.00 0.00 175.02 174.10 2ctt s GLU 57 N 0.76 2.72 -0.11 4.11 2.56 0.09 -4.01 118.70 124.81 2ctt s GLU 57 Ca -0.06 -0.97 0.03 0.00 0.00 0.00 0.00 54.97 53.96 2ctt s GLU 57 Cb -0.08 -2.53 0.01 0.00 2.00 0.00 0.00 34.13 33.53 2ctt s GLU 57 CO -0.03 0.47 -0.19 0.99 -0.56 0.00 0.00 175.26 175.93 2ctt s THR 58 N -1.78 1.77 -0.51 -1.70 2.01 -1.26 -2.84 115.64 111.33 2ctt s THR 58 Ca 0.30 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 2ctt s THR 58 Cb -0.10 -1.58 0.13 0.00 0.01 0.00 0.00 72.50 70.97 2ctt s THR 58 CO 0.22 0.49 0.37 -0.63 -0.69 0.00 0.00 174.62 174.38 2ctt s ILE 59 N 0.76 4.10 -0.80 1.82 1.09 -0.89 -4.98 121.20 122.31 2ctt s ILE 59 Ca -0.10 -2.06 -0.26 0.00 -1.10 0.00 0.00 60.65 57.13 2ctt s ILE 59 Cb -0.16 -3.70 0.04 0.00 -1.06 0.00 0.00 42.46 37.58 2ctt s ILE 59 CO 0.01 -0.80 1.31 0.20 -0.10 0.00 0.00 174.94 175.56 2ctt s ASN 60 N 2.21 6.23 -0.25 3.58 0.01 -1.26 -0.26 114.94 125.19 2ctt s ASN 60 Ca 0.09 -0.67 0.02 0.00 -0.71 0.00 0.00 52.86 51.59 2ctt s ASN 60 Cb -0.24 -2.56 0.05 0.00 0.41 0.00 0.00 41.25 38.92 2ctt s ASN 60 CO -0.02 -1.76 -0.12 0.28 -1.51 0.00 0.00 177.10 173.97 2ctt s THR 61 N 5.54 2.20 0.00 1.60 -1.32 -0.64 -5.00 115.64 118.03 2ctt s THR 61 Ca 0.37 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 2ctt s THR 61 Cb -0.07 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 2ctt s THR 61 CO 0.10 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 2ctt n GLY 62 N 4.47 0.97 0.00 6.08 0.00 -1.26 -2.59 105.19 112.86 2ctt n GLY 62 Ca -0.15 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.27 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 1.60 0.06 -4.64 1.61 -0.04 -1.26 -4.76 135.00 127.56 2ctt n PRO 63 Ca 0.00 0.23 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 2ctt n PRO 63 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.88 2.04 -0.07 0.54 -0.12 -1.07 -5.16 117.98 111.26 2ctt s PHE 64 Ca 0.09 -0.93 -0.06 0.00 -0.05 0.00 0.00 56.93 55.97 2ctt s PHE 64 Cb 0.09 -1.54 0.02 0.00 -0.63 0.00 0.00 43.02 40.96 2ctt s PHE 64 CO 0.25 0.18 0.19 0.54 -0.05 0.00 0.00 175.22 176.32 2ctt s VAL 65 N -2.94 -0.01 0.60 -2.49 0.11 -1.26 -1.63 120.40 112.79 2ctt s VAL 65 Ca 0.20 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2ctt s VAL 65 Cb 0.05 -0.28 0.07 0.00 -1.53 0.00 0.00 36.38 34.69 2ctt s VAL 65 CO 0.10 0.01 0.84 -0.04 -3.33 0.00 0.00 175.10 172.69 2ctt s MET 66 N 0.32 2.26 -0.08 1.54 -1.94 0.63 -4.91 119.30 117.12 2ctt s MET 66 Ca -0.02 -0.95 -0.02 0.00 -1.71 0.00 0.00 55.69 52.99 2ctt s MET 66 Cb -0.03 -2.46 0.03 0.00 2.01 0.00 0.00 34.83 34.39 2ctt s MET 66 CO -0.01 -0.94 0.03 1.03 -0.01 0.00 0.00 175.02 175.11 2ctt s ARG 67 N -4.87 0.37 0.02 2.03 1.81 -1.26 -2.09 118.95 114.96 2ctt s ARG 67 Ca 0.60 0.14 -0.04 0.00 -1.72 0.00 0.00 55.73 54.71 2ctt s ARG 67 Cb -0.08 -0.98 -0.01 0.00 -0.45 0.00 0.00 34.95 33.42 2ctt s ARG 67 CO 0.40 -0.36 0.05 0.45 -0.68 0.00 0.00 175.30 175.16 2ctt s SER 68 N 2.03 0.16 0.36 0.23 0.15 -1.13 -5.03 113.70 110.47 2ctt s SER 68 Ca 0.04 -0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.02 2ctt s SER 68 Cb -0.13 0.16 -0.12 0.00 -1.71 0.00 0.00 66.02 64.22 2ctt s SER 68 CO -0.05 -0.36 1.16 0.41 1.20 0.00 0.00 173.24 175.60 2ctt n THR 69 N 1.38 2.18 -1.55 6.45 -1.04 -1.26 -0.73 114.28 119.70 2ctt n THR 69 Ca -0.23 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 60.91 2ctt n THR 69 Cb 0.56 -1.35 0.05 0.00 -1.82 0.00 0.00 70.33 67.76 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 -0.61 1.17 0.04 0.00 1.85 -1.26 -3.21 116.66 114.65 2ctt n ARG 71 Ca 0.13 0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.90 2ctt n ARG 71 Cb 0.47 -1.30 -0.07 0.00 -1.05 0.00 0.00 32.46 30.51 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 -0.01 0.04 2.89 2.47 -2.00 -3.33 114.38 114.45 2ctt h ARG 72 Ca -0.33 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.01 2ctt h ARG 72 Cb 1.62 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.89 2ctt h ARG 72 CO -0.02 0.01 -2.27 0.00 0.56 0.00 0.00 179.97 178.25 2ctt n GLY 74 N 2.03 1.48 1.79 0.00 0.00 -1.20 -4.52 105.19 104.78 2ctt n GLY 74 Ca -0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.59 0.55 0.00 -0.02 0.00 -1.24 -4.89 105.19 99.00 2ctt n GLY 75 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.45 0.86 0.00 1.61 0.63 -1.26 -4.78 116.66 112.26 2ctt n ARG 76 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2ctt n ARG 76 Cb 0.52 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.64 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ctt n GLY 77 N 2.41 0.55 3.15 5.14 0.00 -1.26 -4.72 105.19 110.46 2ctt n GLY 77 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.95 0.18 -0.24 1.61 0.01 -1.26 -2.40 113.70 109.65 2ctt s SER 78 Ca 0.00 -0.61 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 2ctt s SER 78 Cb 0.00 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 2ctt s SER 78 CO 0.00 -0.60 0.45 -0.63 0.41 0.00 0.00 173.24 172.87 2ctt s ILE 79 N -3.18 5.13 -0.73 1.44 1.09 0.14 -4.62 121.20 120.47 2ctt s ILE 79 Ca -0.00 0.77 -0.22 0.00 -1.10 0.00 0.00 60.65 60.10 2ctt s ILE 79 Cb 0.02 -3.77 0.08 0.00 -1.06 0.00 0.00 42.46 37.72 2ctt s ILE 79 CO -0.07 0.15 1.04 -0.63 -0.10 0.00 0.00 174.94 175.34 2ctt s ILE 80 N 1.93 4.32 0.36 2.92 1.01 -1.26 -1.61 121.20 128.87 2ctt s ILE 80 Ca 0.19 -0.52 0.14 0.00 0.00 0.00 0.00 60.65 60.46 2ctt s ILE 80 Cb -0.15 -4.74 0.35 0.00 0.01 0.00 0.00 42.46 37.93 2ctt s ILE 80 CO 0.09 -1.53 1.74 0.40 0.00 0.00 0.00 174.94 175.65 2ctt h ILE 81 N 6.00 0.51 -3.15 2.92 5.03 -1.95 -3.35 117.51 123.53 2ctt h ILE 81 Ca -0.19 -0.17 -0.50 0.00 -0.12 0.00 0.00 64.86 63.89 2ctt h ILE 81 Cb 1.06 -0.01 -0.40 0.00 -3.03 0.00 0.00 36.82 34.43 2ctt h ILE 81 CO 1.19 0.09 -0.76 -0.44 -0.68 0.00 0.00 178.15 177.55 2ctt s SER 82 N -5.20 2.74 0.69 1.72 0.01 -1.26 -5.12 113.70 107.27 2ctt s SER 82 Ca -0.10 -0.78 -0.14 0.00 1.31 0.00 0.00 55.95 56.24 2ctt s SER 82 Cb 0.27 -0.44 0.01 0.00 0.21 0.00 0.00 66.02 66.07 2ctt s SER 82 CO 0.80 -0.34 1.11 -2.16 0.41 0.00 0.00 173.24 173.06 2ctt s PRO 83 N 1.98 2.67 0.95 12.44 0.04 -1.26 -2.73 135.00 149.09 2ctt s PRO 83 Ca 0.01 1.34 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 2ctt s PRO 83 Cb -0.17 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2ctt s PRO 83 CO -0.10 -1.34 -0.06 0.00 0.04 0.00 0.00 177.00 175.54 2ctt n VAL 85 N -4.06 0.00 -0.08 0.00 0.24 -1.26 -4.11 118.33 109.06 2ctt n VAL 85 Ca 0.03 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 2ctt n VAL 85 Cb 0.40 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 2ctt n VAL 85 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2ctt n VAL 86 N -0.71 0.92 0.04 3.34 0.24 -1.26 -4.64 118.33 116.26 2ctt n VAL 86 Ca 0.00 -0.34 0.04 0.00 -2.04 0.00 0.00 64.34 62.00 2ctt n VAL 86 Cb 0.01 -1.13 0.09 0.00 -1.47 0.00 0.00 33.84 31.34 2ctt n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ctt n ARG 88 N 0.37 -0.81 -2.62 0.00 5.12 -1.26 0.23 116.66 117.70 2ctt n ARG 88 Ca 0.08 0.10 -0.08 0.00 -1.93 0.00 0.00 57.85 56.02 2ctt n ARG 88 Cb 0.33 -3.63 0.02 0.00 -1.16 0.00 0.00 32.46 28.01 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 -1.29 0.32 0.09 -0.13 0.00 -1.26 -4.79 105.19 98.13 2ctt n GLY 89 Ca 0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.66 1.66 -0.05 4.61 0.00 0.64 -4.93 120.51 119.78 2ctt n ALA 90 Ca -0.03 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.35 2ctt n ALA 90 Cb 0.54 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 1.63 1.49 3.10 0.00 0.00 -1.26 -5.01 105.19 105.14 2ctt n GLY 91 Ca -0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.48 0.52 0.31 1.61 -0.21 -1.26 -2.77 119.66 117.39 2ctt s GLN 92 Ca 0.00 -0.56 0.04 0.00 0.02 0.00 0.00 55.36 54.86 2ctt s GLN 92 Cb 0.00 0.21 -0.03 0.00 1.00 0.00 0.00 33.01 34.19 2ctt s GLN 92 CO 0.00 -0.13 0.29 0.00 -2.12 0.00 0.00 175.29 173.34 2ctt s ALA 93 N -1.91 1.53 -1.05 6.09 0.00 0.28 -4.65 121.76 122.04 2ctt s ALA 93 Ca -0.11 -1.90 -0.18 0.00 0.00 0.00 0.00 51.96 49.78 2ctt s ALA 93 Cb -0.05 1.40 0.13 0.00 0.00 0.00 0.00 23.12 24.60 2ctt s ALA 93 CO -0.01 -0.68 1.30 0.21 0.00 0.00 0.00 175.76 176.58 2ctt s LYS 94 N -3.49 3.78 -0.13 0.00 2.20 -1.26 -2.11 119.74 118.73 2ctt s LYS 94 Ca 0.38 -1.97 -0.25 0.00 -0.36 0.00 0.00 55.97 53.78 2ctt s LYS 94 Cb 0.03 -5.06 -0.22 0.00 -1.51 0.00 0.00 37.83 31.07 2ctt s LYS 94 CO 0.24 -1.86 0.68 1.96 -0.36 0.00 0.00 175.35 176.01 2ctt h GLN 95 N 8.32 -0.00 -6.70 4.03 7.50 -1.87 -3.47 115.11 122.91 2ctt h GLN 95 Ca 0.23 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.73 2ctt h GLN 95 Cb 0.96 0.00 -0.22 0.00 0.05 0.00 0.00 27.48 28.28 2ctt h GLN 95 CO 1.21 0.83 -0.86 0.21 -1.50 0.00 0.00 178.83 178.72 2ctt s LYS 96 N -2.22 1.32 0.07 1.46 2.47 -1.26 -5.09 119.74 116.49 2ctt s LYS 96 Ca -0.16 -1.30 0.04 0.00 -1.56 0.00 0.00 55.97 52.99 2ctt s LYS 96 Cb -0.02 -1.75 -0.03 0.00 -1.46 0.00 0.00 37.83 34.56 2ctt s LYS 96 CO 0.59 0.41 -0.11 0.21 0.16 0.00 0.00 175.35 176.61 2ctt s LYS 97 N -2.02 0.75 -0.05 4.03 2.20 -1.26 -4.66 119.74 118.74 2ctt s LYS 97 Ca 0.12 -0.97 0.06 0.00 -0.36 0.00 0.00 55.97 54.82 2ctt s LYS 97 Cb -0.10 -0.60 -0.02 0.00 -1.51 0.00 0.00 37.83 35.60 2ctt s LYS 97 CO 0.05 0.12 -0.23 1.03 -0.36 0.00 0.00 175.35 175.96 2ctt s ARG 98 N -2.02 2.43 -0.37 4.03 0.52 -1.26 -5.04 118.95 117.24 2ctt s ARG 98 Ca -0.02 -0.88 0.07 0.00 -0.52 0.00 0.00 55.73 54.38 2ctt s ARG 98 Cb -0.08 -2.17 0.44 0.00 0.52 0.00 0.00 34.95 33.66 2ctt s ARG 98 CO 0.01 0.47 1.14 0.45 0.02 0.00 0.00 175.30 177.39 2ctt n SER 99 N 2.71 4.63 -2.96 0.23 2.88 -1.26 -5.04 113.62 114.80 2ctt n SER 99 Ca -0.17 -3.66 -0.12 0.00 -1.33 0.00 0.00 58.87 53.59 2ctt n SER 99 Cb 0.52 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2ctt n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctt s GLY 100 N -3.56 0.90 0.00 0.46 0.00 -1.26 -5.01 107.32 98.85 2ctt s GLY 100 Ca 0.48 -1.12 0.14 0.00 0.00 0.00 0.00 44.72 44.22 2ctt s GLY 100 CO -0.09 -0.62 1.25 -1.55 0.00 0.00 0.00 173.10 172.09 2ctt n PRO 101 N -0.56 0.49 -2.37 2.90 -0.04 -1.26 -4.57 135.00 129.58 2ctt n PRO 101 Ca -0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.05 2ctt n PRO 101 Cb 0.61 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.94 6.02 -0.22 3.54 0.15 -1.26 -4.96 113.70 115.03 2ctt s SER 102 Ca 0.21 -1.26 -0.12 0.00 0.70 0.00 0.00 55.95 55.47 2ctt s SER 102 Cb 0.10 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 2ctt s SER 102 CO 0.16 -1.95 0.25 -0.55 1.20 0.00 0.00 173.24 172.34 2ctt s SER 103 N 6.00 6.26 0.00 5.45 0.15 -1.26 -4.99 113.70 125.31 2ctt s SER 103 Ca 0.55 0.29 0.30 0.00 0.70 0.00 0.00 55.95 57.79 2ctt s SER 103 Cb -0.02 -2.15 1.40 0.00 -1.71 0.00 0.00 66.02 63.54 2ctt s SER 103 CO -0.05 0.03 1.94 0.61 1.20 0.00 0.00 173.24 176.97