#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crl s SER 2 N 0.00 -0.47 0.04 1.61 0.15 -1.26 -5.18 113.70 108.59 2crl s SER 2 Ca 0.00 0.90 -0.28 0.00 0.70 0.00 0.00 55.95 57.26 2crl s SER 2 Cb 0.00 0.90 0.10 0.00 -1.71 0.00 0.00 66.02 65.31 2crl s SER 2 CO 0.00 -0.17 1.10 -0.44 1.20 0.00 0.00 173.24 174.93 2crl s SER 3 N 0.18 -0.15 0.00 5.45 0.01 -1.26 -5.19 113.70 112.75 2crl s SER 3 Ca 0.03 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2crl s SER 3 Cb -0.05 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2crl s SER 3 CO -0.05 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2crl n GLY 4 N -0.41 2.20 3.65 3.44 0.00 -1.26 -5.18 105.19 107.63 2crl n GLY 4 Ca -0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 2crl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crl s SER 5 N 0.00 -0.32 -0.29 1.61 1.04 -1.26 -5.17 113.70 109.32 2crl s SER 5 Ca 0.00 0.54 -0.15 0.00 0.48 0.00 0.00 55.95 56.81 2crl s SER 5 Cb 0.00 0.92 0.12 0.00 0.10 0.00 0.00 66.02 67.16 2crl s SER 5 CO 0.00 -0.09 0.84 -0.55 0.98 0.00 0.00 173.24 174.43 2crl s SER 6 N 0.83 -0.73 0.00 7.02 0.15 -1.26 -5.16 113.70 114.56 2crl s SER 6 Ca -0.04 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2crl s SER 6 Cb -0.04 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 2crl s SER 6 CO -0.12 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2crl n GLY 7 N 4.17 1.67 3.63 9.45 0.00 -1.26 -5.18 105.19 117.67 2crl n GLY 7 Ca -0.18 0.40 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 2crl n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2crl s MET 8 N 0.00 0.52 0.33 1.61 -2.45 -1.26 -5.19 119.30 112.87 2crl s MET 8 Ca 0.00 0.57 -0.12 0.00 -1.25 0.00 0.00 55.69 54.89 2crl s MET 8 Cb 0.00 0.25 0.02 0.00 1.25 0.00 0.00 34.83 36.36 2crl s MET 8 CO 0.00 -0.07 0.63 0.00 1.05 0.00 0.00 175.02 176.63 2crl s ALA 9 N 0.14 -0.26 0.12 4.11 0.00 -1.26 -5.19 121.76 119.42 2crl s ALA 9 Ca 0.03 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 2crl s ALA 9 Cb -0.05 0.91 0.07 0.00 0.00 0.00 0.00 23.12 24.05 2crl s ALA 9 CO -0.06 -0.91 0.91 -1.54 0.00 0.00 0.00 175.76 174.16 2crl s SER 10 N -3.09 -0.25 -0.14 0.00 1.04 -1.26 -5.18 113.70 104.81 2crl s SER 10 Ca 0.21 -0.30 -0.29 0.00 0.48 0.00 0.00 55.95 56.05 2crl s SER 10 Cb -0.03 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.66 2crl s SER 10 CO 0.13 -0.87 0.78 -0.62 0.98 0.00 0.00 173.24 173.64 2crl s ASP 11 N -2.82 -0.61 -0.30 7.02 2.15 -1.26 -5.16 116.67 115.69 2crl s ASP 11 Ca 0.10 0.84 -0.15 0.00 0.43 0.00 0.00 52.55 53.77 2crl s ASP 11 Cb -0.02 0.74 0.15 0.00 -0.30 0.00 0.00 42.92 43.50 2crl s ASP 11 CO -0.01 -0.44 0.96 -0.55 -0.17 0.00 0.00 175.17 174.96 2crl s SER 12 N -0.69 -0.59 0.00 -0.34 0.15 -1.26 -5.17 113.70 105.80 2crl s SER 12 Ca -0.06 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2crl s SER 12 Cb -0.02 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 2crl s SER 12 CO 0.05 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2crl n GLY 13 N 4.52 1.56 3.39 9.45 0.00 -1.26 -5.17 105.19 117.67 2crl n GLY 13 Ca -0.13 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2crl n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crl s ASN 14 N 0.00 3.44 -0.15 1.61 2.20 -1.26 -5.12 114.94 115.66 2crl s ASN 14 Ca 0.00 -0.46 -0.04 0.00 -0.94 0.00 0.00 52.86 51.42 2crl s ASN 14 Cb 0.00 -0.47 0.07 0.00 -2.00 0.00 0.00 41.25 38.85 2crl s ASN 14 CO 0.00 0.28 0.20 -1.10 -2.94 0.00 0.00 177.10 173.54 2crl s GLN 15 N -1.08 0.13 0.10 3.55 -0.21 -1.26 -5.14 119.66 115.74 2crl s GLN 15 Ca 0.12 0.39 -0.27 0.00 0.02 0.00 0.00 55.36 55.62 2crl s GLN 15 Cb -0.10 -0.76 0.08 0.00 1.00 0.00 0.00 33.01 33.23 2crl s GLN 15 CO 0.02 -0.49 1.08 0.20 -2.12 0.00 0.00 175.29 173.98 2crl s GLY 16 N 2.32 -0.27 -0.29 3.09 0.00 -1.26 -5.17 107.32 105.74 2crl s GLY 16 Ca 0.04 0.27 -0.16 0.00 0.00 0.00 0.00 44.72 44.88 2crl s GLY 16 CO -0.09 0.27 0.90 -1.08 0.00 0.00 0.00 173.10 173.10 2crl s THR 17 N -2.92 -0.06 -0.13 0.90 -1.32 -1.26 -5.14 115.64 105.71 2crl s THR 17 Ca 0.14 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.32 2crl s THR 17 Cb 0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 2crl s THR 17 CO 0.01 0.00 1.20 -0.22 -2.21 0.00 0.00 174.62 173.40 2crl s LEU 18 N 1.52 4.21 0.15 9.08 2.96 -1.26 -4.34 118.68 130.99 2crl s LEU 18 Ca -0.09 1.69 0.04 0.00 -0.22 0.00 0.00 54.13 55.55 2crl s LEU 18 Cb -0.04 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 2crl s LEU 18 CO -0.16 -0.67 -0.09 0.00 -1.32 0.00 0.00 176.35 174.11 2crl s THR 20 N -3.37 5.27 -0.10 0.00 2.01 -1.26 -2.54 115.64 115.65 2crl s THR 20 Ca 0.17 0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.72 2crl s THR 20 Cb 0.03 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 2crl s THR 20 CO 0.01 0.31 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.31 2crl s LEU 21 N 1.06 2.50 -0.20 4.42 1.43 -1.03 -4.18 118.68 122.68 2crl s LEU 21 Ca 0.15 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 2crl s LEU 21 Cb -0.14 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2crl s LEU 21 CO 0.06 0.21 0.09 -1.61 0.23 0.00 0.00 176.35 175.33 2crl s GLU 22 N 0.07 3.99 -0.05 1.70 2.02 -0.60 -1.07 118.70 124.76 2crl s GLU 22 Ca -0.07 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 54.60 2crl s GLU 22 Cb -0.15 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.78 2crl s GLU 22 CO 0.05 0.18 -0.04 -0.06 0.02 0.00 0.00 175.26 175.40 2crl s PHE 23 N 0.66 0.79 -0.73 1.61 0.08 0.47 -0.42 117.98 120.43 2crl s PHE 23 Ca 0.05 -0.23 -0.22 0.00 0.12 0.00 0.00 56.93 56.65 2crl s PHE 23 Cb -0.13 -0.70 0.08 0.00 -0.57 0.00 0.00 43.02 41.70 2crl s PHE 23 CO 0.01 -0.21 1.02 0.00 -0.10 0.00 0.00 175.22 175.94 2crl s ALA 24 N 1.01 3.16 -0.15 5.36 0.00 0.10 0.14 121.76 131.38 2crl s ALA 24 Ca -0.10 -2.08 -0.08 0.00 0.00 0.00 0.00 51.96 49.70 2crl s ALA 24 Cb -0.14 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 2crl s ALA 24 CO -0.00 -2.85 0.14 0.08 0.00 0.00 0.00 175.76 173.12 2crl s VAL 25 N 3.75 5.46 0.15 0.00 1.01 -0.74 -2.88 120.40 127.15 2crl s VAL 25 Ca 0.25 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.13 2crl s VAL 25 Cb -0.14 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 2crl s VAL 25 CO 0.05 0.55 1.32 -1.58 0.00 0.00 0.00 175.10 175.44 2crl s GLN 26 N -0.52 4.37 -0.18 2.72 0.74 -1.26 -4.41 119.66 121.12 2crl s GLN 26 Ca 0.12 2.02 -0.07 0.00 0.05 0.00 0.00 55.36 57.49 2crl s GLN 26 Cb -0.12 -3.23 0.08 0.00 1.10 0.00 0.00 33.01 30.84 2crl s GLN 26 CO 0.02 -0.32 0.39 -1.64 -0.55 0.00 0.00 175.29 173.19 2crl s MET 27 N 0.49 0.29 -0.16 1.67 -1.94 -1.26 -4.93 119.30 113.46 2crl s MET 27 Ca 0.60 0.96 0.10 0.00 -1.71 0.00 0.00 55.69 55.64 2crl s MET 27 Cb -0.36 0.24 -0.17 0.00 2.01 0.00 0.00 34.83 36.55 2crl s MET 27 CO 0.34 -0.25 -0.01 -2.37 -0.01 0.00 0.00 175.02 172.72 2crl n THR 28 N 5.30 1.04 -4.29 2.05 5.66 -1.26 -4.94 114.28 117.84 2crl n THR 28 Ca -0.09 -0.57 -0.15 0.00 -3.05 0.00 0.00 64.05 60.19 2crl n THR 28 Cb 0.50 -0.76 -0.04 0.00 -1.55 0.00 0.00 70.33 68.47 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2crl h GLN 30 N 0.00 -0.40 -0.73 0.00 5.75 -2.00 -3.20 115.11 114.53 2crl h GLN 30 Ca -0.19 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.41 2crl h GLN 30 Cb 0.74 0.09 -0.09 0.00 1.07 0.00 0.00 27.48 29.29 2crl h GLN 30 CO 0.30 -0.17 -0.41 0.45 -2.65 0.00 0.00 178.83 176.35 2crl n SER 31 N -5.21 -0.73 -0.32 -0.69 2.88 -1.26 0.21 113.62 108.50 2crl n SER 31 Ca -0.10 1.29 0.18 0.00 -1.33 0.00 0.00 58.87 58.91 2crl n SER 31 Cb 0.23 -0.18 0.38 0.00 -0.75 0.00 0.00 64.21 63.88 2crl n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crl h VAL 33 N 0.36 1.33 0.00 0.00 2.07 0.25 -2.98 116.25 117.29 2crl h VAL 33 Ca 0.64 -2.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 2crl h VAL 33 Cb 1.34 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2crl h VAL 33 CO -0.58 0.64 -0.00 0.44 0.02 0.00 0.00 177.57 178.09 2crl h ASP 34 N 0.39 0.00 0.01 0.57 3.32 0.27 -2.58 116.42 118.40 2crl h ASP 34 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2crl h ASP 34 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2crl h ASP 34 CO 0.14 0.00 -0.14 0.00 -1.72 0.00 0.00 179.24 177.52 2crl h ALA 35 N 2.00 -0.00 -0.59 3.45 0.00 -1.16 -2.01 119.26 120.94 2crl h ALA 35 Ca -0.00 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.55 2crl h ALA 35 Cb 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 2crl h ALA 35 CO 0.00 0.03 0.03 0.28 0.00 0.00 0.00 179.25 179.59 2crl h VAL 36 N -0.75 0.54 0.01 0.00 2.07 -1.32 1.27 116.25 118.08 2crl h VAL 36 Ca -0.02 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2crl h VAL 36 Cb 1.00 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2crl h VAL 36 CO 0.03 0.03 -0.01 0.03 0.02 0.00 0.00 177.57 177.67 2crl h ARG 37 N 0.15 -0.02 0.00 1.57 3.08 -1.59 -3.04 114.38 114.53 2crl h ARG 37 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2crl h ARG 37 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2crl h ARG 37 CO -0.48 0.52 0.00 -0.22 -1.07 0.00 0.00 179.97 178.72 2crl h LYS 38 N -0.57 0.00 -0.12 0.04 3.11 -0.85 0.79 116.57 118.97 2crl h LYS 38 Ca -0.00 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.64 2crl h LYS 38 Cb 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.78 2crl h LYS 38 CO 0.00 0.00 -0.72 1.03 -2.81 0.00 0.00 179.45 176.95 2crl h SER 39 N 0.00 0.66 0.00 4.20 0.87 0.17 -3.30 113.55 116.15 2crl h SER 39 Ca 0.00 -0.42 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 2crl h SER 39 Cb 0.17 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 2crl h SER 39 CO 0.00 1.18 -0.35 0.18 -0.53 0.00 0.00 176.83 177.31 2crl n LEU 40 N -3.89 2.16 -4.51 2.23 4.77 -0.76 -4.94 117.00 112.06 2crl n LEU 40 Ca -0.05 -3.14 -0.45 0.00 -0.03 0.00 0.00 56.01 52.35 2crl n LEU 40 Cb 0.71 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2crl n LEU 40 CO 0.50 0.94 1.91 1.67 -1.33 0.00 0.00 177.39 181.08 2crl n GLN 41 N -1.00 1.14 -2.90 3.23 7.27 0.27 -2.60 117.38 122.79 2crl n GLN 41 Ca 0.15 0.24 -0.18 0.00 0.07 0.00 0.00 57.00 57.28 2crl n GLN 41 Cb 0.71 -2.76 -0.03 0.00 2.41 0.00 0.00 30.24 30.57 2crl n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2crl n GLY 42 N 6.26 -0.30 3.78 1.69 0.00 -1.26 -4.82 105.19 110.54 2crl n GLY 42 Ca 0.41 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 2crl n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2crl s VAL 43 N -2.07 3.73 0.14 1.61 1.01 -1.07 -4.92 120.40 118.84 2crl s VAL 43 Ca 0.35 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 2crl s VAL 43 Cb -0.20 -3.70 -0.13 0.00 0.00 0.00 0.00 36.38 32.35 2crl s VAL 43 CO 0.42 0.02 0.41 0.00 0.00 0.00 0.00 175.10 175.95 2crl n ALA 44 N -0.02 -2.43 0.00 5.51 0.00 -1.26 -0.40 120.51 121.91 2crl n ALA 44 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2crl n ALA 44 Cb 0.49 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2crl n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2crl n GLY 45 N 1.47 1.71 3.74 0.00 0.00 -1.26 -4.96 105.19 105.90 2crl n GLY 45 Ca 0.14 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2crl n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2crl s VAL 46 N -0.02 3.32 -0.09 1.61 1.01 0.46 -3.67 120.40 123.04 2crl s VAL 46 Ca 0.00 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.21 2crl s VAL 46 Cb 0.00 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 2crl s VAL 46 CO 0.00 0.20 0.03 0.00 0.00 0.00 0.00 175.10 175.33 2crl n GLN 47 N 2.19 2.55 -3.58 2.72 -0.00 0.11 -4.42 117.38 116.94 2crl n GLN 47 Ca 0.04 -0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.91 2crl n GLN 47 Cb 0.44 -1.23 -0.05 0.00 -0.00 0.00 0.00 30.24 29.40 2crl n GLN 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2crl s ASP 48 N -4.09 -0.38 -0.23 2.61 2.15 -0.85 -4.96 116.67 110.91 2crl s ASP 48 Ca -0.04 0.02 -0.05 0.00 0.43 0.00 0.00 52.55 52.90 2crl s ASP 48 Cb 0.03 0.49 0.12 0.00 -0.30 0.00 0.00 42.92 43.26 2crl s ASP 48 CO 0.36 -0.77 0.44 -0.69 -0.17 0.00 0.00 175.17 174.34 2crl s VAL 49 N -2.91 -0.70 0.06 1.11 1.01 -1.26 0.39 120.40 118.11 2crl s VAL 49 Ca -0.03 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2crl s VAL 49 Cb -0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2crl s VAL 49 CO -0.05 -0.02 0.11 -1.61 0.00 0.00 0.00 175.10 173.53 2crl s GLU 50 N 2.63 3.06 -0.05 2.72 0.41 -0.94 -4.96 118.70 121.58 2crl s GLU 50 Ca 0.06 -0.59 -0.01 0.00 -0.41 0.00 0.00 54.97 54.03 2crl s GLU 50 Cb -0.14 -2.83 0.03 0.00 -1.78 0.00 0.00 34.13 29.41 2crl s GLU 50 CO -0.15 0.59 -0.00 0.08 -0.49 0.00 0.00 175.26 175.29 2crl s VAL 51 N -1.39 0.30 -0.32 2.63 1.01 -1.26 -0.53 120.40 120.84 2crl s VAL 51 Ca 0.30 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2crl s VAL 51 Cb -0.12 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 35.90 2crl s VAL 51 CO 0.22 0.22 0.02 -1.00 0.00 0.00 0.00 175.10 174.56 2crl s HIS 52 N 1.55 3.43 -0.07 5.22 3.76 -0.02 -4.95 115.29 124.22 2crl s HIS 52 Ca -0.02 -2.34 0.25 0.00 -0.15 0.00 0.00 55.06 52.80 2crl s HIS 52 Cb -0.13 -2.44 0.75 0.00 1.11 0.00 0.00 32.58 31.87 2crl s HIS 52 CO -0.03 -0.89 1.75 1.25 -0.85 0.00 0.00 174.74 175.98 2crl h LEU 53 N 7.86 0.00 -0.10 0.89 5.85 -1.94 0.20 115.31 128.07 2crl h LEU 53 Ca -0.15 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2crl h LEU 53 Cb 1.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 2crl h LEU 53 CO 0.54 0.15 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.70 2crl h GLU 54 N 0.00 0.18 -0.42 1.25 4.81 -1.95 -3.19 114.58 115.26 2crl h GLU 54 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2crl h GLU 54 Cb 0.85 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2crl h GLU 54 CO 0.02 0.46 0.00 -0.25 -0.73 0.00 0.00 179.01 178.51 2crl n ASP 55 N -4.80 4.11 -4.09 1.04 9.92 -1.22 -4.95 116.55 116.56 2crl n ASP 55 Ca -0.06 -2.61 -0.34 0.00 -0.53 0.00 0.00 54.79 51.24 2crl n ASP 55 Cb 0.21 -0.50 -0.03 0.00 -0.64 0.00 0.00 41.12 40.17 2crl n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crl n GLN 56 N 0.31 -3.07 -3.72 -1.24 1.13 0.24 -4.93 117.38 106.09 2crl n GLN 56 Ca 0.21 0.36 -0.20 0.00 -1.94 0.00 0.00 57.00 55.43 2crl n GLN 56 Cb 0.82 -5.09 -0.02 0.00 0.11 0.00 0.00 30.24 26.06 2crl n GLN 56 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2crl s MET 57 N -6.78 3.13 -0.28 -1.09 -1.94 0.47 -1.80 119.30 111.01 2crl s MET 57 Ca 0.69 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 53.68 2crl s MET 57 Cb -0.38 -2.76 0.16 0.00 2.01 0.00 0.00 34.83 33.86 2crl s MET 57 CO 0.85 0.20 0.49 0.08 -0.01 0.00 0.00 175.02 176.63 2crl s VAL 58 N -2.14 -0.80 0.44 -6.03 1.01 0.38 -0.84 120.40 112.42 2crl s VAL 58 Ca 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 2crl s VAL 58 Cb -0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2crl s VAL 58 CO 0.29 -0.09 0.69 -0.76 0.00 0.00 0.00 175.10 175.23 2crl s LEU 59 N 2.69 3.71 -0.26 3.92 1.02 0.30 -0.39 118.68 129.67 2crl s LEU 59 Ca 0.15 0.54 -0.01 0.00 0.02 0.00 0.00 54.13 54.83 2crl s LEU 59 Cb -0.14 -3.42 0.15 0.00 0.02 0.00 0.00 46.19 42.79 2crl s LEU 59 CO -0.21 -0.58 0.42 -0.69 0.02 0.00 0.00 176.35 175.31 2crl s VAL 60 N -2.57 -0.67 -0.88 -1.59 1.01 -0.23 -2.21 120.40 113.26 2crl s VAL 60 Ca 0.46 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 2crl s VAL 60 Cb -0.10 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.50 2crl s VAL 60 CO 0.40 -0.15 1.14 -1.00 0.00 0.00 0.00 175.10 175.49 2crl s HIS 61 N 2.59 2.90 0.11 5.22 3.76 0.16 -2.46 115.29 127.58 2crl s HIS 61 Ca 0.13 -1.08 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 2crl s HIS 61 Cb -0.15 -4.36 -0.04 0.00 1.11 0.00 0.00 32.58 29.15 2crl s HIS 61 CO -0.20 -1.61 0.02 -0.08 -0.85 0.00 0.00 174.74 172.02 2crl s THR 62 N 3.43 0.20 -1.40 1.30 -1.32 -1.05 0.05 115.64 116.86 2crl s THR 62 Ca 0.32 -1.89 0.28 0.00 -1.21 0.00 0.00 61.69 59.19 2crl s THR 62 Cb -0.07 -1.88 0.30 0.00 -1.51 0.00 0.00 72.50 69.34 2crl s THR 62 CO -0.04 -0.64 1.75 0.35 -2.21 0.00 0.00 174.62 173.82 2crl n THR 63 N -0.04 0.00 -2.59 5.08 -2.24 -1.24 -1.97 114.28 111.27 2crl n THR 63 Ca -0.08 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 2crl n THR 63 Cb 0.63 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 2crl n THR 63 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2crl s LEU 64 N -2.69 3.77 0.25 3.22 1.43 -1.26 -4.43 118.68 118.98 2crl s LEU 64 Ca 0.22 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.65 2crl s LEU 64 Cb 0.19 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 2crl s LEU 64 CO 0.54 -0.48 1.27 -2.16 0.23 0.00 0.00 176.35 175.74 2crl s PRO 65 N -3.66 4.43 0.09 1.29 0.04 -1.26 -4.82 135.00 131.11 2crl s PRO 65 Ca 0.60 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.52 2crl s PRO 65 Cb -0.09 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2crl s PRO 65 CO 0.23 -0.14 1.04 -1.13 0.04 0.00 0.00 177.00 177.03 2crl n SER 66 N 1.80 -0.61 -0.30 6.66 3.41 -1.26 0.11 113.62 123.42 2crl n SER 66 Ca 0.03 1.18 0.10 0.00 -0.26 0.00 0.00 58.87 59.91 2crl n SER 66 Cb 0.43 -0.21 0.20 0.00 -0.26 0.00 0.00 64.21 64.37 2crl n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2crl n GLN 67 N -4.47 -0.07 0.49 4.33 1.13 -1.26 -0.26 117.38 117.27 2crl n GLN 67 Ca 0.01 1.30 -0.20 0.00 -1.94 0.00 0.00 57.00 56.17 2crl n GLN 67 Cb 0.15 -2.01 -0.10 0.00 0.11 0.00 0.00 30.24 28.39 2crl n GLN 67 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2crl h GLU 68 N 0.00 -1.24 -0.53 -1.09 4.81 0.40 -2.89 114.58 114.04 2crl h GLU 68 Ca 0.47 0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.89 2crl h GLU 68 Cb 0.89 0.28 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 2crl h GLU 68 CO -0.83 -0.83 0.02 0.28 -0.73 0.00 0.00 179.01 176.91 2crl h VAL 69 N -1.29 0.59 -0.83 0.32 2.07 -0.27 -1.44 116.25 115.41 2crl h VAL 69 Ca -0.12 -0.05 0.19 0.00 0.82 0.00 0.00 66.70 67.54 2crl h VAL 69 Cb 1.01 0.45 -0.15 0.00 -1.52 0.00 0.00 31.29 31.07 2crl h VAL 69 CO 0.17 0.02 -0.08 -0.61 0.02 0.00 0.00 177.57 177.10 2crl h GLN 70 N 0.13 0.04 -0.91 1.57 4.15 -0.54 0.48 115.11 120.04 2crl h GLN 70 Ca 0.27 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.72 2crl h GLN 70 Cb 0.41 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.04 2crl h GLN 70 CO -0.43 0.03 0.59 0.00 -1.93 0.00 0.00 178.83 177.09 2crl h ALA 71 N 1.81 1.19 -0.11 3.38 0.00 -1.06 -1.00 119.26 123.47 2crl h ALA 71 Ca 0.44 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 2crl h ALA 71 Cb 0.76 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2crl h ALA 71 CO -0.79 0.47 -0.15 -0.07 0.00 0.00 0.00 179.25 178.72 2crl h LEU 72 N 1.17 0.17 -0.13 0.00 3.38 0.09 -1.85 115.31 118.14 2crl h LEU 72 Ca 0.36 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 2crl h LEU 72 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2crl h LEU 72 CO -0.11 0.34 -0.37 -0.07 0.09 0.00 0.00 178.44 178.32 2crl h LEU 73 N 0.17 0.00 -0.07 1.67 3.38 -0.11 -3.21 115.31 117.13 2crl h LEU 73 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 2crl h LEU 73 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2crl h LEU 73 CO 0.02 0.37 -0.84 -0.33 0.09 0.00 0.00 178.44 177.75 2crl h GLU 74 N 0.00 0.00 0.00 1.13 5.08 -0.45 -3.20 114.58 117.14 2crl h GLU 74 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2crl h GLU 74 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2crl h GLU 74 CO 0.05 0.84 0.00 0.78 -1.00 0.00 0.00 179.01 179.68 2crl h GLY 75 N 3.02 0.00 2.00 -3.84 0.00 -1.38 -1.49 103.07 101.38 2crl h GLY 75 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2crl h GLY 75 CO 0.11 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.35 2crl n THR 76 N -2.75 0.67 0.00 4.70 -2.24 -1.21 -4.91 114.28 108.54 2crl n THR 76 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2crl n THR 76 Cb 0.16 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 2crl n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2crl n GLY 77 N 0.73 2.20 3.92 3.38 0.00 -0.56 -5.08 105.19 109.78 2crl n GLY 77 Ca 0.04 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 2crl n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2crl s ARG 78 N 0.00 2.40 -0.25 1.61 3.03 -1.26 -5.04 118.95 119.44 2crl s ARG 78 Ca 0.00 -0.12 -0.08 0.00 2.03 0.00 0.00 55.73 57.56 2crl s ARG 78 Cb 0.00 -2.17 -0.03 0.00 -1.03 0.00 0.00 34.95 31.72 2crl s ARG 78 CO 0.00 -1.12 0.10 -1.14 -1.13 0.00 0.00 175.30 172.00 2crl s GLN 79 N -5.22 3.76 -0.29 3.89 0.74 -1.26 -4.14 119.66 117.15 2crl s GLN 79 Ca 0.59 -0.43 -0.13 0.00 0.05 0.00 0.00 55.36 55.44 2crl s GLN 79 Cb -0.11 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 2crl s GLN 79 CO 0.46 -0.13 0.28 0.00 -0.55 0.00 0.00 175.29 175.34 2crl s ALA 80 N 1.50 3.54 -0.29 1.58 0.00 -1.26 -4.24 121.76 122.58 2crl s ALA 80 Ca 0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 2crl s ALA 80 Cb -0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 2crl s ALA 80 CO 0.05 -0.68 0.14 0.08 0.00 0.00 0.00 175.76 175.35 2crl s VAL 81 N 1.90 4.67 -0.04 0.00 1.01 -1.14 -4.89 120.40 121.91 2crl s VAL 81 Ca 0.10 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.50 2crl s VAL 81 Cb -0.16 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 2crl s VAL 81 CO 0.11 0.15 1.98 -0.11 0.00 0.00 0.00 175.10 177.23 2crl n LEU 82 N 4.99 3.79 -0.90 3.92 7.94 -1.26 -0.72 117.00 134.75 2crl n LEU 82 Ca -0.14 0.83 0.10 0.00 -1.11 0.00 0.00 56.01 55.69 2crl n LEU 82 Cb 0.50 -1.47 0.14 0.00 0.53 0.00 0.00 43.42 43.12 2crl n LEU 82 CO 0.33 -0.00 0.62 0.29 -1.11 0.00 0.00 177.39 177.52 2crl n LYS 83 N 7.42 2.08 0.00 1.96 4.76 0.44 -4.91 118.16 129.91 2crl n LYS 83 Ca 0.23 -1.94 0.00 0.00 -2.87 0.00 0.00 58.31 53.73 2crl n LYS 83 Cb 0.37 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2crl n LYS 83 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2crl n GLY 84 N 1.17 3.20 0.19 0.72 0.00 -1.20 -4.93 105.19 104.34 2crl n GLY 84 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 2crl n GLY 84 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2crl h MET 85 N 0.00 -0.37 -2.63 1.61 2.86 -1.87 -1.60 114.93 112.94 2crl h MET 85 Ca 0.00 0.03 -0.60 0.00 -2.06 0.00 0.00 59.70 57.07 2crl h MET 85 Cb 0.00 0.08 -0.39 0.00 0.06 0.00 0.00 31.60 31.35 2crl h MET 85 CO 0.00 -0.25 -0.84 0.20 1.06 0.00 0.00 176.91 177.09 2crl s GLY 86 N -3.10 1.68 -0.16 8.32 0.00 -1.26 -3.96 107.32 108.84 2crl s GLY 86 Ca -0.06 -2.80 -0.29 0.00 0.00 0.00 0.00 44.72 41.57 2crl s GLY 86 CO 0.17 1.79 2.15 -1.26 0.00 0.00 0.00 173.10 175.95 2crl n SER 87 N 2.75 3.42 -2.95 1.64 2.88 -1.26 -4.87 113.62 115.23 2crl n SER 87 Ca 0.24 0.42 0.01 0.00 -1.33 0.00 0.00 58.87 58.22 2crl n SER 87 Cb 0.43 -1.52 -0.00 0.00 -0.75 0.00 0.00 64.21 62.37 2crl n SER 87 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crl s GLY 88 N 7.11 -1.44 -0.30 0.46 0.00 -1.26 -5.07 107.32 106.82 2crl s GLY 88 Ca 0.98 0.80 -0.10 0.00 0.00 0.00 0.00 44.72 46.40 2crl s GLY 88 CO 0.39 4.03 0.67 1.62 0.00 0.00 0.00 173.10 179.82 2crl s GLN 89 N 1.88 0.56 -0.14 2.90 0.74 -1.26 -5.15 119.66 119.18 2crl s GLN 89 Ca 0.16 1.39 -0.04 0.00 0.05 0.00 0.00 55.36 56.91 2crl s GLN 89 Cb 0.00 0.84 0.07 0.00 1.10 0.00 0.00 33.01 35.02 2crl s GLN 89 CO -0.11 -0.21 0.25 -1.17 -0.55 0.00 0.00 175.29 173.50 2crl s LEU 90 N 2.87 -0.27 0.42 3.68 2.96 -1.26 -5.16 118.68 121.92 2crl s LEU 90 Ca -0.05 0.42 0.07 0.00 -0.22 0.00 0.00 54.13 54.35 2crl s LEU 90 Cb -0.12 0.64 -0.06 0.00 0.50 0.00 0.00 46.19 47.15 2crl s LEU 90 CO -0.19 -0.26 0.12 -1.10 -1.32 0.00 0.00 176.35 173.60 2crl s GLN 91 N 2.40 2.13 -0.29 1.98 1.11 -1.26 -5.14 119.66 120.59 2crl s GLN 91 Ca 0.03 -1.98 0.01 0.00 0.01 0.00 0.00 55.36 53.43 2crl s GLN 91 Cb -0.13 -1.83 0.19 0.00 -1.01 0.00 0.00 33.01 30.23 2crl s GLN 91 CO -0.09 -0.13 0.58 1.21 0.01 0.00 0.00 175.29 176.88 2crl s ASN 92 N -3.85 -1.36 0.90 5.90 3.04 -1.26 -5.17 114.94 113.15 2crl s ASN 92 Ca 0.36 0.63 -0.13 0.00 0.04 0.00 0.00 52.86 53.77 2crl s ASN 92 Cb 0.06 2.07 0.17 0.00 -1.54 0.00 0.00 41.25 42.01 2crl s ASN 92 CO 0.20 -0.27 1.25 -0.94 -3.04 0.00 0.00 177.10 174.29 2crl s SER 93 N 2.83 3.51 0.00 -4.21 1.04 -1.26 -5.05 113.70 110.56 2crl s SER 93 Ca 0.17 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2crl s SER 93 Cb -0.14 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2crl s SER 93 CO -0.22 -2.47 0.00 0.61 0.98 0.00 0.00 173.24 172.13 2crl n GLY 94 N -3.55 -0.35 3.77 7.32 0.00 -1.26 -5.16 105.19 105.97 2crl n GLY 94 Ca 0.14 0.32 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 2crl n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crl s PRO 95 N 0.00 3.23 0.15 1.61 0.04 -1.26 -5.05 135.00 133.71 2crl s PRO 95 Ca 0.00 1.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.35 2crl s PRO 95 Cb 0.00 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.61 2crl s PRO 95 CO 0.00 -0.94 0.87 -1.12 0.04 0.00 0.00 177.00 175.85 2crl s SER 96 N -1.97 -0.26 0.52 6.66 0.01 -1.26 -5.18 113.70 112.21 2crl s SER 96 Ca 0.71 -0.34 0.05 0.00 1.31 0.00 0.00 55.95 57.69 2crl s SER 96 Cb -0.23 0.53 0.04 0.00 0.21 0.00 0.00 66.02 66.57 2crl s SER 96 CO 0.30 -0.95 0.71 -0.44 0.41 0.00 0.00 173.24 173.28 2crl s SER 97 N -2.84 5.32 0.00 2.44 0.01 -1.26 -5.37 113.70 112.01 2crl s SER 97 Ca 0.10 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2crl s SER 97 Cb -0.02 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2crl s SER 97 CO -0.00 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.18