#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crl n SER 2 N 0.00 -2.84 -4.48 1.61 3.41 -1.26 -4.95 113.62 105.11 2crl n SER 2 Ca 0.00 -0.99 -0.24 0.00 -0.26 0.00 0.00 58.87 57.38 2crl n SER 2 Cb 0.00 -2.91 -0.10 0.00 -0.26 0.00 0.00 64.21 60.94 2crl n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2crl s SER 3 N -3.51 3.55 0.00 4.04 0.01 -1.26 -5.15 113.70 111.39 2crl s SER 3 Ca 0.59 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2crl s SER 3 Cb -0.32 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2crl s SER 3 CO 0.91 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.13 2crl n GLY 4 N -0.65 0.35 3.33 3.44 0.00 -1.26 -5.18 105.19 105.21 2crl n GLY 4 Ca -0.05 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 2crl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crl s SER 5 N 0.00 1.70 0.35 1.61 0.15 -1.26 -5.17 113.70 111.08 2crl s SER 5 Ca 0.00 -1.25 -0.14 0.00 0.70 0.00 0.00 55.95 55.26 2crl s SER 5 Cb 0.00 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.39 2crl s SER 5 CO 0.00 -0.56 0.71 -0.55 1.20 0.00 0.00 173.24 174.04 2crl s SER 6 N -3.30 0.10 0.00 5.45 0.15 -1.26 -5.18 113.70 109.65 2crl s SER 6 Ca 0.30 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2crl s SER 6 Cb 0.06 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 2crl s SER 6 CO 0.09 -1.55 0.00 0.61 1.20 0.00 0.00 173.24 173.60 2crl n GLY 7 N -0.52 1.86 2.99 9.45 0.00 -1.26 -5.18 105.19 112.54 2crl n GLY 7 Ca -0.06 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2crl n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2crl s MET 8 N -0.74 0.30 0.30 1.61 1.00 -1.26 -5.17 119.30 115.35 2crl s MET 8 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 55.69 55.28 2crl s MET 8 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 34.83 34.93 2crl s MET 8 CO 0.00 -0.06 0.41 0.00 0.00 0.00 0.00 175.02 175.38 2crl s ALA 9 N -1.23 4.09 0.14 3.03 0.00 -1.26 -5.13 121.76 121.41 2crl s ALA 9 Ca -0.13 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 50.36 2crl s ALA 9 Cb -0.08 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 2crl s ALA 9 CO -0.00 0.08 0.24 0.45 0.00 0.00 0.00 175.76 176.53 2crl s SER 10 N -4.09 0.08 0.00 0.00 0.15 -1.26 -5.08 113.70 103.51 2crl s SER 10 Ca 0.40 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2crl s SER 10 Cb -0.09 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2crl s SER 10 CO 0.30 -0.84 0.00 0.47 1.20 0.00 0.00 173.24 174.37 2crl n ASP 11 N -0.16 2.10 -3.68 5.45 8.00 -1.26 -5.01 116.55 121.99 2crl n ASP 11 Ca -0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.11 2crl n ASP 11 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 2crl n ASP 11 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2crl n SER 12 N -2.38 -1.36 -3.69 -2.24 7.64 -1.26 -4.84 113.62 105.48 2crl n SER 12 Ca 0.00 -0.81 -0.13 0.00 1.01 0.00 0.00 58.87 58.94 2crl n SER 12 Cb 0.35 -1.21 -0.09 0.00 -1.01 0.00 0.00 64.21 62.26 2crl n SER 12 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2crl s GLY 13 N -2.63 -0.40 -0.05 0.23 0.00 -1.26 -5.16 107.32 98.06 2crl s GLY 13 Ca 0.58 1.50 -0.02 0.00 0.00 0.00 0.00 44.72 46.79 2crl s GLY 13 CO 0.71 1.33 0.10 -1.31 0.00 0.00 0.00 173.10 173.92 2crl s ASN 14 N 0.38 0.14 -0.19 1.64 0.01 -1.26 -5.13 114.94 110.53 2crl s ASN 14 Ca -0.01 0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 2crl s ASN 14 Cb -0.04 0.07 0.04 0.00 0.41 0.00 0.00 41.25 41.73 2crl s ASN 14 CO -0.01 -0.16 -0.13 -1.10 -1.51 0.00 0.00 177.10 174.20 2crl s GLN 15 N 1.32 2.25 -0.01 -0.60 -1.52 -1.26 -5.11 119.66 114.73 2crl s GLN 15 Ca -0.07 -0.83 0.02 0.00 -1.95 0.00 0.00 55.36 52.53 2crl s GLN 15 Cb -0.12 -2.42 -0.00 0.00 -0.22 0.00 0.00 33.01 30.24 2crl s GLN 15 CO -0.05 -0.37 -0.08 0.20 -0.25 0.00 0.00 175.29 174.75 2crl s GLY 16 N 1.37 0.40 -0.17 3.09 0.00 -1.26 -5.14 107.32 105.61 2crl s GLY 16 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.32 2crl s GLY 16 CO -0.09 -0.23 0.40 -1.08 0.00 0.00 0.00 173.10 172.09 2crl s THR 17 N -0.11 -0.20 0.08 0.90 -1.32 -1.26 -5.13 115.64 108.60 2crl s THR 17 Ca 0.02 0.12 -0.31 0.00 -1.21 0.00 0.00 61.69 60.31 2crl s THR 17 Cb -0.04 -0.61 -0.07 0.00 -1.51 0.00 0.00 72.50 70.27 2crl s THR 17 CO -0.00 0.05 1.43 -0.22 -2.21 0.00 0.00 174.62 173.67 2crl s LEU 18 N 1.75 4.35 0.12 9.08 2.96 -1.26 -4.36 118.68 131.32 2crl s LEU 18 Ca -0.07 2.30 0.06 0.00 -0.22 0.00 0.00 54.13 56.20 2crl s LEU 18 Cb -0.10 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2crl s LEU 18 CO -0.12 -0.71 -0.15 0.00 -1.32 0.00 0.00 176.35 174.05 2crl s THR 20 N -2.02 4.88 -0.21 0.00 2.01 -1.26 -1.66 115.64 117.38 2crl s THR 20 Ca 0.09 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 2crl s THR 20 Cb -0.06 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.22 2crl s THR 20 CO 0.03 0.39 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.48 2crl s LEU 21 N 0.90 2.61 -0.48 4.42 1.43 -0.99 -1.62 118.68 124.96 2crl s LEU 21 Ca 0.05 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 2crl s LEU 21 Cb -0.13 -1.61 0.09 0.00 0.03 0.00 0.00 46.19 44.57 2crl s LEU 21 CO 0.03 -0.03 0.40 -1.61 0.23 0.00 0.00 176.35 175.37 2crl s GLU 22 N 1.36 2.91 -0.12 1.70 2.02 -1.05 -1.60 118.70 123.93 2crl s GLU 22 Ca 0.04 -1.48 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 2crl s GLU 22 Cb -0.14 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.93 2crl s GLU 22 CO -0.08 -1.10 0.04 -0.06 0.02 0.00 0.00 175.26 174.08 2crl s PHE 23 N 1.59 3.25 -0.69 1.61 0.08 0.88 -1.01 117.98 123.69 2crl s PHE 23 Ca 0.04 0.19 -0.20 0.00 0.12 0.00 0.00 56.93 57.07 2crl s PHE 23 Cb -0.26 -1.89 0.10 0.00 -0.57 0.00 0.00 43.02 40.40 2crl s PHE 23 CO 0.05 0.41 0.91 0.00 -0.10 0.00 0.00 175.22 176.49 2crl s ALA 24 N -0.54 3.28 0.04 5.36 0.00 0.89 0.11 121.76 130.89 2crl s ALA 24 Ca 0.10 -2.18 -0.03 0.00 0.00 0.00 0.00 51.96 49.85 2crl s ALA 24 Cb -0.12 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 2crl s ALA 24 CO 0.02 -2.67 0.24 0.08 0.00 0.00 0.00 175.76 173.44 2crl s VAL 25 N 3.27 5.34 -0.29 0.00 1.01 -0.99 -2.06 120.40 126.69 2crl s VAL 25 Ca 0.21 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 2crl s VAL 25 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2crl s VAL 25 CO 0.05 0.24 0.60 -1.58 0.00 0.00 0.00 175.10 174.41 2crl s GLN 26 N -2.15 3.97 -0.02 2.72 0.74 -1.26 -4.34 119.66 119.32 2crl s GLN 26 Ca 0.32 0.34 0.03 0.00 0.05 0.00 0.00 55.36 56.09 2crl s GLN 26 Cb -0.13 -3.70 -0.00 0.00 1.10 0.00 0.00 33.01 30.28 2crl s GLN 26 CO 0.21 -0.49 -0.10 -1.64 -0.55 0.00 0.00 175.29 172.73 2crl s MET 27 N 2.51 0.87 -0.07 1.67 -1.94 -1.26 -4.95 119.30 116.13 2crl s MET 27 Ca 0.24 -0.33 -0.10 0.00 -1.71 0.00 0.00 55.69 53.79 2crl s MET 27 Cb -0.15 -0.83 -0.03 0.00 2.01 0.00 0.00 34.83 35.83 2crl s MET 27 CO 0.11 0.17 -0.20 0.25 -0.01 0.00 0.00 175.02 175.34 2crl n THR 28 N 3.02 1.32 -4.11 2.05 -2.24 -1.26 -4.98 114.28 108.08 2crl n THR 28 Ca -0.15 0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.57 2crl n THR 28 Cb 0.56 -2.01 -0.07 0.00 -2.10 0.00 0.00 70.33 66.70 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crl n GLN 30 N 0.63 -0.04 -0.00 0.00 -0.06 -1.26 -1.21 117.38 115.43 2crl n GLN 30 Ca -0.10 0.96 -0.00 0.00 -2.00 0.00 0.00 57.00 55.86 2crl n GLN 30 Cb 0.52 -1.68 -0.00 0.00 -4.06 0.00 0.00 30.24 25.02 2crl n GLN 30 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2crl n SER 31 N -4.64 -0.00 -0.29 1.69 3.41 -1.26 0.94 113.62 113.47 2crl n SER 31 Ca 0.23 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.69 2crl n SER 31 Cb 0.79 -0.36 0.24 0.00 -0.26 0.00 0.00 64.21 64.62 2crl n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2crl h VAL 33 N 0.00 1.25 -0.84 0.00 2.07 0.44 -0.08 116.25 119.09 2crl h VAL 33 Ca 0.50 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2crl h VAL 33 Cb 1.04 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2crl h VAL 33 CO -0.78 0.28 0.55 0.44 0.02 0.00 0.00 177.57 178.09 2crl h ASP 34 N 1.16 0.95 0.20 0.57 5.19 0.42 -2.55 116.42 122.36 2crl h ASP 34 Ca 0.29 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 2crl h ASP 34 Cb 0.04 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.33 2crl h ASP 34 CO -0.05 0.68 -0.10 0.00 -3.12 0.00 0.00 179.24 176.66 2crl h ALA 35 N 1.32 -0.27 -0.96 3.45 0.00 -0.93 -2.69 119.26 119.17 2crl h ALA 35 Ca 0.31 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 55.30 2crl h ALA 35 Cb -0.10 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 2crl h ALA 35 CO -0.08 -0.36 0.17 0.28 0.00 0.00 0.00 179.25 179.26 2crl h VAL 36 N -0.86 0.08 0.29 0.00 2.07 -0.95 0.45 116.25 117.32 2crl h VAL 36 Ca -0.03 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2crl h VAL 36 Cb 0.51 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2crl h VAL 36 CO 0.05 0.01 -0.14 0.03 0.02 0.00 0.00 177.57 177.54 2crl h ARG 37 N 0.05 -0.37 -0.58 1.57 3.08 -1.50 -3.03 114.38 113.59 2crl h ARG 37 Ca 0.63 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.86 2crl h ARG 37 Cb 1.39 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.50 2crl h ARG 37 CO -0.83 -0.04 0.41 -0.22 -1.07 0.00 0.00 179.97 178.21 2crl h LYS 38 N -0.76 0.12 -0.54 0.04 3.64 -0.55 2.00 116.57 120.52 2crl h LYS 38 Ca -0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2crl h LYS 38 Cb 0.50 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2crl h LYS 38 CO 0.06 0.08 0.31 1.03 -2.27 0.00 0.00 179.45 178.67 2crl h SER 39 N 0.13 0.65 0.00 4.20 0.87 -0.11 -3.01 113.55 116.28 2crl h SER 39 Ca 0.28 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2crl h SER 39 Cb 0.93 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2crl h SER 39 CO -0.04 0.51 -0.20 0.18 -0.53 0.00 0.00 176.83 176.76 2crl n LEU 40 N -4.41 1.59 -4.60 2.23 4.77 0.12 -4.92 117.00 111.77 2crl n LEU 40 Ca 0.05 -2.44 -0.43 0.00 -0.03 0.00 0.00 56.01 53.16 2crl n LEU 40 Cb 0.08 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 2crl n LEU 40 CO 0.36 0.59 1.39 -1.58 -1.33 0.00 0.00 177.39 176.82 2crl s GLN 41 N -1.92 3.46 -1.62 3.23 0.74 0.66 -3.57 119.66 120.64 2crl s GLN 41 Ca 0.22 1.21 -0.11 0.00 0.05 0.00 0.00 55.36 56.73 2crl s GLN 41 Cb 0.20 -4.11 0.10 0.00 1.10 0.00 0.00 33.01 30.29 2crl s GLN 41 CO 0.01 -1.71 0.51 0.41 -0.55 0.00 0.00 175.29 173.96 2crl n GLY 42 N 5.26 -0.32 3.87 2.59 0.00 -1.26 -4.92 105.19 110.41 2crl n GLY 42 Ca 0.20 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.68 5.23 0.21 1.61 1.01 -1.23 -5.03 120.40 118.52 2crl s VAL 43 Ca 0.41 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.50 2crl s VAL 43 Cb -0.23 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 2crl s VAL 43 CO 0.94 0.39 0.33 0.00 0.00 0.00 0.00 175.10 176.76 2crl n ALA 44 N 1.20 -2.58 0.00 5.51 0.00 -1.26 -0.80 120.51 122.57 2crl n ALA 44 Ca -0.11 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2crl n ALA 44 Cb 0.53 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.71 1.51 3.76 0.00 0.00 -1.26 -4.94 105.19 105.97 2crl n GLY 45 Ca 0.13 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.56 -0.12 1.61 1.01 0.02 -4.20 120.40 121.28 2crl s VAL 46 Ca 0.00 0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.56 2crl s VAL 46 Cb 0.00 -3.32 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 2crl s VAL 46 CO 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 175.10 175.18 2crl n GLN 47 N 1.66 1.60 -3.52 2.72 -0.00 -0.27 -4.47 117.38 115.10 2crl n GLN 47 Ca 0.04 0.02 -0.15 0.00 -0.00 0.00 0.00 57.00 56.92 2crl n GLN 47 Cb 0.40 -1.29 -0.05 0.00 -0.00 0.00 0.00 30.24 29.31 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 -4.69 -0.55 -0.17 2.61 -1.08 -1.02 -4.97 116.67 106.79 2crl s ASP 48 Ca -0.10 0.33 -0.04 0.00 -0.52 0.00 0.00 52.55 52.21 2crl s ASP 48 Cb 0.04 0.53 0.09 0.00 -1.46 0.00 0.00 42.92 42.12 2crl s ASP 48 CO 0.41 -0.74 0.29 -0.69 0.52 0.00 0.00 175.17 174.96 2crl s VAL 49 N -2.30 -0.45 -0.33 1.11 1.01 -1.26 0.39 120.40 118.56 2crl s VAL 49 Ca -0.06 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 2crl s VAL 49 Cb -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.81 2crl s VAL 49 CO -0.00 -0.01 0.13 -1.61 0.00 0.00 0.00 175.10 173.61 2crl s GLU 50 N 2.44 2.93 -0.23 2.72 0.41 -1.07 -4.96 118.70 120.95 2crl s GLU 50 Ca 0.04 -0.98 -0.08 0.00 -0.41 0.00 0.00 54.97 53.55 2crl s GLU 50 Cb -0.13 -3.52 -0.04 0.00 -1.78 0.00 0.00 34.13 28.66 2crl s GLU 50 CO -0.11 -0.57 0.08 0.54 -0.49 0.00 0.00 175.26 174.71 2crl s VAL 51 N 1.51 4.61 -0.32 2.63 0.11 -1.26 0.03 120.40 127.70 2crl s VAL 51 Ca 0.02 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2crl s VAL 51 Cb -0.18 -3.13 0.08 0.00 -1.53 0.00 0.00 36.38 31.62 2crl s VAL 51 CO 0.04 0.38 0.03 -1.00 -3.33 0.00 0.00 175.10 171.21 2crl s HIS 52 N 1.13 3.49 0.28 1.54 3.76 -0.58 -4.96 115.29 119.95 2crl s HIS 52 Ca 0.05 -2.47 0.11 0.00 -0.15 0.00 0.00 55.06 52.60 2crl s HIS 52 Cb -0.14 -2.54 0.43 0.00 1.11 0.00 0.00 32.58 31.44 2crl s HIS 52 CO 0.04 -0.90 1.65 1.25 -0.85 0.00 0.00 174.74 175.93 2crl h LEU 53 N 7.82 0.00 -0.24 0.89 5.85 -1.95 0.59 115.31 128.26 2crl h LEU 53 Ca -0.13 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.61 2crl h LEU 53 Cb 1.04 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2crl h LEU 53 CO 0.54 0.56 0.07 -0.33 -0.34 0.00 0.00 178.44 178.94 2crl h GLU 54 N 0.00 0.17 -0.66 1.25 4.39 -1.94 -2.38 114.58 115.41 2crl h GLU 54 Ca -0.01 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 2crl h GLU 54 Cb 1.01 -0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.49 2crl h GLU 54 CO 0.07 0.11 0.24 -0.25 -1.16 0.00 0.00 179.01 178.02 2crl n ASP 55 N -5.06 4.27 -3.76 1.42 9.92 -1.20 -4.93 116.55 117.20 2crl n ASP 55 Ca -0.02 -3.33 -0.26 0.00 -0.53 0.00 0.00 54.79 50.66 2crl n ASP 55 Cb 0.10 -0.72 -0.07 0.00 -0.64 0.00 0.00 41.12 39.79 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 -0.46 -0.88 -4.31 -1.24 1.13 -0.77 -4.88 117.38 105.96 2crl n GLN 56 Ca 0.40 0.08 -0.24 0.00 -1.94 0.00 0.00 57.00 55.30 2crl n GLN 56 Cb 1.32 -2.96 -0.08 0.00 0.11 0.00 0.00 30.24 28.62 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 -5.87 2.14 -0.14 -1.09 -1.94 0.13 -2.34 119.30 110.19 2crl s MET 57 Ca 0.28 -1.41 -0.04 0.00 -1.71 0.00 0.00 55.69 52.81 2crl s MET 57 Cb -0.16 -2.11 0.06 0.00 2.01 0.00 0.00 34.83 34.62 2crl s MET 57 CO 0.73 0.39 0.10 0.08 -0.01 0.00 0.00 175.02 176.30 2crl s VAL 58 N -2.13 -0.12 0.17 -6.03 1.01 0.30 -1.53 120.40 112.07 2crl s VAL 58 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 2crl s VAL 58 Cb -0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2crl s VAL 58 CO 0.18 -0.16 0.36 -0.76 0.00 0.00 0.00 175.10 174.72 2crl s LEU 59 N 2.17 4.26 -0.27 3.92 1.02 0.10 -0.08 118.68 129.79 2crl s LEU 59 Ca 0.03 0.41 -0.00 0.00 0.02 0.00 0.00 54.13 54.58 2crl s LEU 59 Cb -0.15 -3.16 0.15 0.00 0.02 0.00 0.00 46.19 43.05 2crl s LEU 59 CO -0.08 0.00 0.39 -0.69 0.02 0.00 0.00 176.35 176.00 2crl s VAL 60 N -1.78 -0.61 -0.80 -1.59 1.01 -0.63 -2.60 120.40 113.41 2crl s VAL 60 Ca 0.38 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 2crl s VAL 60 Cb -0.11 -0.90 0.09 0.00 0.00 0.00 0.00 36.38 35.45 2crl s VAL 60 CO 0.28 -0.22 1.08 -1.00 0.00 0.00 0.00 175.10 175.25 2crl s HIS 61 N 2.54 2.83 0.06 5.22 3.76 0.16 -2.33 115.29 127.52 2crl s HIS 61 Ca 0.11 -0.90 -0.03 0.00 -0.15 0.00 0.00 55.06 54.09 2crl s HIS 61 Cb -0.14 -4.34 -0.03 0.00 1.11 0.00 0.00 32.58 29.19 2crl s HIS 61 CO -0.23 -1.62 0.03 -0.08 -0.85 0.00 0.00 174.74 171.98 2crl s THR 62 N 3.64 0.19 -0.87 1.30 -1.32 -0.67 -1.12 115.64 116.80 2crl s THR 62 Ca 0.29 -1.60 0.27 0.00 -1.21 0.00 0.00 61.69 59.44 2crl s THR 62 Cb -0.10 -1.42 0.25 0.00 -1.51 0.00 0.00 72.50 69.72 2crl s THR 62 CO 0.01 -0.88 1.84 0.35 -2.21 0.00 0.00 174.62 173.72 2crl n THR 63 N 0.13 0.32 -2.31 5.08 -2.24 -1.26 -1.34 114.28 112.66 2crl n THR 63 Ca -0.15 -0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.20 2crl n THR 63 Cb 0.61 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.68 3.69 0.46 3.22 1.43 -1.26 -4.64 118.68 117.90 2crl s LEU 64 Ca 0.12 1.91 -0.23 0.00 -1.03 0.00 0.00 54.13 54.90 2crl s LEU 64 Cb 0.15 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 2crl s LEU 64 CO 0.54 -0.99 1.17 -2.16 0.23 0.00 0.00 176.35 175.13 2crl s PRO 65 N -3.58 3.75 0.45 1.29 0.04 -1.26 -4.80 135.00 130.88 2crl s PRO 65 Ca 0.66 1.78 0.27 0.00 0.04 0.00 0.00 61.00 63.75 2crl s PRO 65 Cb -0.17 -2.40 1.33 0.00 0.04 0.00 0.00 34.50 33.30 2crl s PRO 65 CO 0.28 -0.56 1.72 0.66 0.04 0.00 0.00 177.00 179.13 2crl h SER 66 N 2.04 0.27 -0.53 6.66 4.64 -1.96 0.83 113.55 125.50 2crl h SER 66 Ca -0.49 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 2crl h SER 66 Cb 1.25 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 2crl h SER 66 CO 0.60 -0.03 0.20 -0.61 -0.87 0.00 0.00 176.83 176.13 2crl h GLN 67 N 0.20 0.85 0.01 4.77 5.75 -2.00 0.16 115.11 124.85 2crl h GLN 67 Ca 0.69 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 59.04 2crl h GLN 67 Cb 2.13 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.53 2crl h GLN 67 CO -0.27 0.72 -0.00 1.49 -2.65 0.00 0.00 178.83 178.11 2crl h GLU 68 N 0.83 -0.01 -0.33 1.69 4.81 0.33 -3.25 114.58 118.65 2crl h GLU 68 Ca 0.19 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2crl h GLU 68 Cb 0.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2crl h GLU 68 CO -0.01 0.56 0.17 0.28 -0.73 0.00 0.00 179.01 179.28 2crl h VAL 69 N -0.60 1.15 -0.87 0.32 2.07 -1.29 -2.82 116.25 114.21 2crl h VAL 69 Ca -0.00 -0.41 0.13 0.00 0.82 0.00 0.00 66.70 67.24 2crl h VAL 69 Cb 0.58 0.82 -0.14 0.00 -1.52 0.00 0.00 31.29 31.03 2crl h VAL 69 CO 0.00 0.15 -0.40 -0.61 0.02 0.00 0.00 177.57 176.74 2crl h GLN 70 N 0.40 -0.06 -0.65 1.57 4.15 -0.76 0.33 115.11 120.09 2crl h GLN 70 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 2crl h GLN 70 Cb 0.09 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2crl h GLN 70 CO -0.02 -0.04 0.40 0.00 -1.93 0.00 0.00 178.83 177.25 2crl h ALA 71 N 1.14 0.83 -0.33 3.38 0.00 -1.56 -1.55 119.26 121.17 2crl h ALA 71 Ca 0.29 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2crl h ALA 71 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2crl h ALA 71 CO -0.89 0.30 0.24 -0.07 0.00 0.00 0.00 179.25 178.83 2crl h LEU 72 N 0.89 0.00 0.00 0.00 3.38 -0.19 -2.12 115.31 117.27 2crl h LEU 72 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2crl h LEU 72 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2crl h LEU 72 CO -0.05 0.00 -0.00 -0.07 0.09 0.00 0.00 178.44 178.41 2crl h LEU 73 N 0.00 -0.00 -1.89 1.67 3.38 -0.17 -3.27 115.31 115.03 2crl h LEU 73 Ca 0.16 -0.85 0.05 0.00 0.09 0.00 0.00 57.88 57.33 2crl h LEU 73 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2crl h LEU 73 CO -0.00 0.92 0.42 -0.33 0.09 0.00 0.00 178.44 179.53 2crl h GLU 74 N -0.99 0.00 0.00 1.13 5.08 -0.85 0.15 114.58 119.10 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 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2crl h GLU 74 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2crl n GLY 75 N -1.34 -0.55 0.36 -3.84 0.00 -0.84 -0.92 105.19 98.06 2crl n GLY 75 Ca 0.02 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2crl n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2crl n THR 76 N -1.39 0.00 0.00 2.61 -2.24 0.53 -4.96 114.28 108.83 2crl n THR 76 Ca 0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2crl n THR 76 Cb 0.05 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.29 3.19 3.91 3.38 0.00 -0.10 -5.06 105.19 111.81 2crl n GLY 77 Ca 0.14 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 1.58 0.33 1.61 1.70 -1.26 -5.02 118.95 117.89 2crl s ARG 78 Ca 0.00 -0.11 0.07 0.00 -0.47 0.00 0.00 55.73 55.22 2crl s ARG 78 Cb 0.00 -1.95 -0.02 0.00 -0.57 0.00 0.00 34.95 32.41 2crl s ARG 78 CO 0.00 -1.81 0.38 -1.14 -1.08 0.00 0.00 175.30 171.65 2crl s GLN 79 N -5.63 2.97 -0.18 3.89 0.74 -1.26 -4.11 119.66 116.07 2crl s GLN 79 Ca 0.66 -1.12 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 2crl s GLN 79 Cb -0.09 -2.67 0.05 0.00 1.10 0.00 0.00 33.01 31.41 2crl s GLN 79 CO 0.50 0.11 0.01 0.00 -0.55 0.00 0.00 175.29 175.36 2crl s ALA 80 N -2.22 1.14 -0.50 1.58 0.00 -1.26 -4.16 121.76 116.34 2crl s ALA 80 Ca 0.42 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.48 2crl s ALA 80 Cb -0.08 -1.16 0.07 0.00 0.00 0.00 0.00 23.12 21.95 2crl s ALA 80 CO 0.29 -1.05 0.55 0.08 0.00 0.00 0.00 175.76 175.62 2crl s VAL 81 N 1.79 5.00 0.23 0.00 1.01 -0.87 -4.78 120.40 122.78 2crl s VAL 81 Ca -0.01 -0.75 -0.32 0.00 0.00 0.00 0.00 61.98 60.90 2crl s VAL 81 Cb -0.17 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.83 2crl s VAL 81 CO -0.07 -0.75 1.47 -0.11 0.00 0.00 0.00 175.10 175.63 2crl n LEU 82 N 5.82 3.24 -0.03 3.92 7.94 -1.26 -0.08 117.00 136.55 2crl n LEU 82 Ca -0.09 1.13 -0.05 0.00 -1.11 0.00 0.00 56.01 55.89 2crl n LEU 82 Cb 0.44 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 42.92 2crl n LEU 82 CO 0.52 -0.37 -0.71 0.29 -1.11 0.00 0.00 177.39 176.01 2crl n LYS 83 N 2.37 0.15 -3.54 1.96 4.76 -0.18 -4.84 118.16 118.84 2crl n LYS 83 Ca 0.13 0.04 -0.28 0.00 -2.87 0.00 0.00 58.31 55.33 2crl n LYS 83 Cb 0.31 -0.99 -0.15 0.00 -1.84 0.00 0.00 35.03 32.37 2crl n LYS 83 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2crl s GLY 84 N -4.78 0.46 -0.19 0.72 0.00 -1.18 -5.06 107.32 97.29 2crl s GLY 84 Ca -0.09 -1.00 -0.17 0.00 0.00 0.00 0.00 44.72 43.46 2crl s GLY 84 CO 0.13 2.07 0.45 -0.29 0.00 0.00 0.00 173.10 175.46 2crl s MET 85 N 2.11 4.20 0.00 2.90 1.75 -1.26 -2.52 119.30 126.48 2crl s MET 85 Ca 0.08 0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.84 2crl s MET 85 Cb -0.16 -3.53 0.00 0.00 2.84 0.00 0.00 34.83 33.98 2crl s MET 85 CO -0.35 -0.05 0.00 0.41 -0.65 0.00 0.00 175.02 174.38 2crl n GLY 86 N 3.82 -3.30 3.59 2.11 0.00 -0.64 -4.98 105.19 105.78 2crl n GLY 86 Ca -0.07 -2.14 -0.50 0.00 0.00 0.00 0.00 46.02 43.31 2crl n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2crl n SER 87 N 0.00 1.53 -3.70 1.61 2.88 -1.26 -4.62 113.62 110.06 2crl n SER 87 Ca 0.00 1.13 -0.13 0.00 -1.33 0.00 0.00 58.87 58.54 2crl n SER 87 Cb 0.00 -1.21 -0.13 0.00 -0.75 0.00 0.00 64.21 62.11 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 0.22 -0.12 -0.13 0.46 0.00 -1.26 -5.11 107.32 101.38 2crl s GLY 88 Ca 0.78 0.96 -0.03 0.00 0.00 0.00 0.00 44.72 46.43 2crl s GLY 88 CO 0.50 1.57 0.05 -0.86 0.00 0.00 0.00 173.10 174.36 2crl s GLN 89 N 1.79 0.27 0.25 2.90 -2.07 -1.26 -5.14 119.66 116.40 2crl s GLN 89 Ca -0.04 -0.01 -0.29 0.00 -1.82 0.00 0.00 55.36 53.19 2crl s GLN 89 Cb -0.11 -1.42 -0.09 0.00 -1.09 0.00 0.00 33.01 30.30 2crl s GLN 89 CO -0.08 -0.51 0.93 -1.17 -1.32 0.00 0.00 175.29 173.13 2crl s LEU 90 N 2.05 4.58 -0.28 2.60 2.96 -1.26 -5.05 118.68 124.27 2crl s LEU 90 Ca 0.03 1.90 -0.16 0.00 -0.22 0.00 0.00 54.13 55.68 2crl s LEU 90 Cb -0.15 -3.68 0.09 0.00 0.50 0.00 0.00 46.19 42.95 2crl s LEU 90 CO -0.07 0.11 0.73 -1.58 -1.32 0.00 0.00 176.35 174.22 2crl s GLN 91 N -1.38 0.66 -0.42 1.98 2.00 -1.26 -5.13 119.66 116.11 2crl s GLN 91 Ca 0.43 1.16 -0.11 0.00 -2.00 0.00 0.00 55.36 54.84 2crl s GLN 91 Cb -0.24 0.16 0.07 0.00 0.80 0.00 0.00 33.01 33.80 2crl s GLN 91 CO 0.30 -0.14 0.28 -0.80 -0.50 0.00 0.00 175.29 174.42 2crl s ASN 92 N 1.65 5.75 0.23 6.67 0.01 -1.26 -5.07 114.94 122.92 2crl s ASN 92 Ca -0.10 -1.38 -0.30 0.00 -0.71 0.00 0.00 52.86 50.37 2crl s ASN 92 Cb -0.05 -2.03 -0.10 0.00 0.41 0.00 0.00 41.25 39.48 2crl s ASN 92 CO -0.19 -0.53 1.42 -0.94 -1.51 0.00 0.00 177.10 175.34 2crl s SER 93 N 2.11 6.71 -0.39 -1.22 1.04 -1.26 -4.99 113.70 115.69 2crl s SER 93 Ca 0.03 2.60 0.03 0.00 0.48 0.00 0.00 55.95 59.08 2crl s SER 93 Cb -0.23 -2.62 0.16 0.00 0.10 0.00 0.00 66.02 63.44 2crl s SER 93 CO 0.04 -0.67 0.31 -0.83 0.98 0.00 0.00 173.24 173.07 2crl s GLY 94 N 0.43 0.84 0.59 7.32 0.00 -1.26 -5.13 107.32 110.10 2crl s GLY 94 Ca 0.60 -2.00 -0.18 0.00 0.00 0.00 0.00 44.72 43.14 2crl s GLY 94 CO 0.41 2.24 1.12 2.56 0.00 0.00 0.00 173.10 179.43 2crl s PRO 95 N 0.62 3.13 -0.19 2.90 0.04 -1.26 -5.06 135.00 135.17 2crl s PRO 95 Ca 0.26 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 2crl s PRO 95 Cb -0.08 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.60 2crl s PRO 95 CO -0.10 -1.01 1.00 0.45 0.04 0.00 0.00 177.00 177.38 2crl s SER 96 N -2.11 -0.41 0.41 6.66 0.15 -1.26 -5.18 113.70 111.96 2crl s SER 96 Ca 0.70 0.56 0.08 0.00 0.70 0.00 0.00 55.95 57.99 2crl s SER 96 Cb -0.22 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 2crl s SER 96 CO 0.33 -0.29 0.42 -0.94 1.20 0.00 0.00 173.24 173.96 2crl s SER 97 N -0.69 5.25 0.00 5.45 1.04 -1.26 -5.37 113.70 118.13 2crl s SER 97 Ca -0.01 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2crl s SER 97 Cb -0.02 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.46 2crl s SER 97 CO -0.01 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.17