#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 -0.89 0.08 1.61 0.15 -1.26 -5.17 113.70 108.22 2crl s SER 2 Ca 0.00 1.43 0.05 0.00 0.70 0.00 0.00 55.95 58.14 2crl s SER 2 Cb 0.00 1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 65.61 2crl s SER 2 CO 0.00 -0.23 -0.05 -0.44 1.20 0.00 0.00 173.24 173.71 2crl s SER 3 N 1.66 4.70 -1.55 5.45 0.01 -1.26 -5.03 113.70 117.69 2crl s SER 3 Ca -0.10 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 56.82 2crl s SER 3 Cb -0.06 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 65.10 2crl s SER 3 CO -0.19 0.20 2.79 0.61 0.41 0.00 0.00 173.24 177.06 2crl n GLY 4 N 0.84 4.46 3.53 3.44 0.00 -1.26 -4.90 105.19 111.29 2crl n GLY 4 Ca -0.13 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 2crl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crl s SER 5 N 1.86 4.23 0.58 1.61 0.01 -1.26 -5.13 113.70 115.61 2crl s SER 5 Ca 0.65 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 57.60 2crl s SER 5 Cb 0.18 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.54 2crl s SER 5 CO -0.07 0.28 0.89 -0.55 0.41 0.00 0.00 173.24 174.21 2crl s SER 6 N -1.30 5.65 0.00 2.44 0.15 -1.26 -4.98 113.70 114.39 2crl s SER 6 Ca 0.15 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2crl s SER 6 Cb -0.11 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2crl s SER 6 CO 0.05 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2crl n GLY 7 N -2.56 0.43 3.90 9.45 0.00 -1.26 -5.17 105.19 109.98 2crl n GLY 7 Ca 0.04 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 2crl n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2crl s MET 8 N 0.00 2.82 -0.28 1.61 0.00 -1.26 -5.13 119.30 117.05 2crl s MET 8 Ca 0.00 -1.24 -0.19 0.00 0.00 0.00 0.00 55.69 54.26 2crl s MET 8 Cb 0.00 -2.57 0.12 0.00 0.00 0.00 0.00 34.83 32.38 2crl s MET 8 CO 0.00 0.05 0.94 0.00 0.00 0.00 0.00 175.02 176.02 2crl s ALA 9 N -2.28 -2.10 0.36 3.16 0.00 -1.26 -5.17 121.76 114.47 2crl s ALA 9 Ca 0.43 2.12 -0.09 0.00 0.00 0.00 0.00 51.96 54.42 2crl s ALA 9 Cb -0.07 -1.56 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 2crl s ALA 9 CO 0.28 -0.31 0.70 0.45 0.00 0.00 0.00 175.76 176.87 2crl s SER 10 N 0.97 6.50 -0.17 0.00 0.15 -1.26 -5.08 113.70 114.81 2crl s SER 10 Ca -0.05 1.00 0.01 0.00 0.70 0.00 0.00 55.95 57.61 2crl s SER 10 Cb -0.04 -2.26 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 2crl s SER 10 CO -0.12 -0.33 -0.18 -1.81 1.20 0.00 0.00 173.24 172.01 2crl s ASP 11 N -3.13 3.35 0.20 5.45 1.01 -1.26 -5.11 116.67 117.18 2crl s ASP 11 Ca 0.49 -0.58 -0.30 0.00 0.71 0.00 0.00 52.55 52.87 2crl s ASP 11 Cb -0.10 -1.52 -0.08 0.00 1.01 0.00 0.00 42.92 42.23 2crl s ASP 11 CO 0.30 0.03 1.06 -0.94 0.21 0.00 0.00 175.17 175.83 2crl s SER 12 N 1.14 7.36 0.59 0.27 1.04 -1.26 -4.97 113.70 117.86 2crl s SER 12 Ca 0.01 2.07 -0.18 0.00 0.48 0.00 0.00 55.95 58.33 2crl s SER 12 Cb -0.14 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.23 2crl s SER 12 CO -0.07 -0.13 -0.20 0.61 0.98 0.00 0.00 173.24 174.43 2crl n GLY 13 N 1.82 -3.35 0.08 7.32 0.00 -1.26 -4.95 105.19 104.84 2crl n GLY 13 Ca 0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 2crl n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2crl n ASN 14 N 2.53 1.85 -3.91 1.61 4.13 -1.26 -4.93 115.26 115.28 2crl n ASN 14 Ca 0.07 0.54 -0.29 0.00 1.68 0.00 0.00 54.58 56.58 2crl n ASN 14 Cb 0.49 -0.84 -0.16 0.00 -1.54 0.00 0.00 39.78 37.72 2crl n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2crl s GLN 15 N -2.43 1.56 0.19 3.52 -1.52 -1.26 -5.14 119.66 114.57 2crl s GLN 15 Ca -0.19 -0.58 -0.03 0.00 -1.95 0.00 0.00 55.36 52.61 2crl s GLN 15 Cb 0.03 -2.09 0.04 0.00 -0.22 0.00 0.00 33.01 30.77 2crl s GLN 15 CO 0.29 -0.43 0.25 0.41 -0.25 0.00 0.00 175.29 175.56 2crl n GLY 16 N 4.84 -0.92 3.47 3.09 0.00 -1.26 -5.12 105.19 109.29 2crl n GLY 16 Ca -0.12 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 2crl n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2crl s THR 17 N -1.40 0.01 -0.03 2.61 -1.32 -1.26 -5.13 115.64 109.10 2crl s THR 17 Ca 0.15 -0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.28 2crl s THR 17 Cb -0.00 -0.82 -0.05 0.00 -1.51 0.00 0.00 72.50 70.11 2crl s THR 17 CO 0.10 -0.03 1.38 -0.22 -2.21 0.00 0.00 174.62 173.65 2crl s LEU 18 N -0.10 4.29 0.05 9.08 2.96 -1.26 -4.34 118.68 129.36 2crl s LEU 18 Ca -0.03 2.03 0.04 0.00 -0.22 0.00 0.00 54.13 55.95 2crl s LEU 18 Cb -0.03 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 2crl s LEU 18 CO 0.03 -0.73 -0.13 0.00 -1.32 0.00 0.00 176.35 174.20 2crl s THR 20 N -1.01 5.21 -0.32 0.00 2.01 -1.26 -2.83 115.64 117.43 2crl s THR 20 Ca -0.01 0.69 -0.05 0.00 0.31 0.00 0.00 61.69 62.63 2crl s THR 20 Cb -0.08 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.75 2crl s THR 20 CO 0.01 0.27 0.07 -0.76 -0.69 0.00 0.00 174.62 173.52 2crl s LEU 21 N 1.22 4.16 -0.44 4.42 2.01 -1.23 -3.79 118.68 125.02 2crl s LEU 21 Ca 0.19 -1.19 -0.29 0.00 0.01 0.00 0.00 54.13 52.85 2crl s LEU 21 Cb -0.15 -1.81 0.02 0.00 0.01 0.00 0.00 46.19 44.27 2crl s LEU 21 CO 0.08 -0.30 1.22 -1.61 1.01 0.00 0.00 176.35 176.75 2crl s GLU 22 N 1.35 3.70 -0.24 1.70 2.02 -1.25 -3.29 118.70 122.70 2crl s GLU 22 Ca -0.03 0.72 0.00 0.00 0.02 0.00 0.00 54.97 55.69 2crl s GLU 22 Cb -0.20 -3.93 0.03 0.00 0.10 0.00 0.00 34.13 30.14 2crl s GLU 22 CO 0.01 -1.40 -0.11 -0.06 0.02 0.00 0.00 175.26 173.72 2crl s PHE 23 N 4.70 3.05 -0.77 1.61 0.08 -0.59 -1.22 117.98 124.85 2crl s PHE 23 Ca 0.52 -1.81 -0.26 0.00 0.12 0.00 0.00 56.93 55.50 2crl s PHE 23 Cb -0.10 -1.99 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 2crl s PHE 23 CO 0.31 -0.79 1.52 0.00 -0.10 0.00 0.00 175.22 176.15 2crl s ALA 24 N 1.25 2.50 -0.12 5.36 0.00 0.11 -1.43 121.76 129.42 2crl s ALA 24 Ca -0.01 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 2crl s ALA 24 Cb -0.17 -4.34 -0.05 0.00 0.00 0.00 0.00 23.12 18.56 2crl s ALA 24 CO -0.07 -3.64 0.25 0.08 0.00 0.00 0.00 175.76 172.38 2crl s VAL 25 N 6.87 5.32 -0.58 0.00 1.01 -1.08 -3.15 120.40 128.80 2crl s VAL 25 Ca 0.48 0.46 -0.26 0.00 0.00 0.00 0.00 61.98 62.66 2crl s VAL 25 Cb -0.08 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2crl s VAL 25 CO 0.11 0.50 1.06 -1.58 0.00 0.00 0.00 175.10 175.19 2crl s GLN 26 N -0.28 3.38 0.13 2.72 0.74 -1.26 -4.44 119.66 120.66 2crl s GLN 26 Ca 0.16 -0.10 0.11 0.00 0.05 0.00 0.00 55.36 55.59 2crl s GLN 26 Cb -0.13 -4.05 -0.04 0.00 1.10 0.00 0.00 33.01 29.88 2crl s GLN 26 CO 0.05 -1.62 -0.26 -1.64 -0.55 0.00 0.00 175.29 171.27 2crl s MET 27 N 4.45 1.45 0.00 1.67 -1.94 -1.26 -4.93 119.30 118.73 2crl s MET 27 Ca 0.35 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 52.98 2crl s MET 27 Cb -0.11 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.82 2crl s MET 27 CO 0.21 0.45 0.00 0.25 -0.01 0.00 0.00 175.02 175.92 2crl n THR 28 N 0.84 0.00 -4.31 2.05 -2.24 -1.26 -5.01 114.28 104.35 2crl n THR 28 Ca -0.17 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 2crl n THR 28 Cb 0.53 -1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 67.39 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 0.72 -0.05 -0.28 0.00 -0.06 -1.26 -0.31 117.38 116.14 2crl n GLN 30 Ca -0.17 1.11 -0.03 0.00 -2.00 0.00 0.00 57.00 55.91 2crl n GLN 30 Cb 0.55 -1.84 -0.00 0.00 -4.06 0.00 0.00 30.24 24.89 2crl n GLN 30 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2crl n SER 31 N -4.93 -0.55 -0.21 1.69 7.64 -1.26 0.19 113.62 116.18 2crl n SER 31 Ca 0.22 1.24 -0.02 0.00 1.01 0.00 0.00 58.87 61.32 2crl n SER 31 Cb 0.74 -0.24 0.09 0.00 -1.01 0.00 0.00 64.21 63.78 2crl n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2crl h VAL 33 N 0.64 1.17 -0.05 0.00 2.07 0.20 -0.32 116.25 119.96 2crl h VAL 33 Ca 0.28 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.47 2crl h VAL 33 Cb 0.17 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2crl h VAL 33 CO -0.17 0.17 -0.14 0.44 0.02 0.00 0.00 177.57 177.88 2crl h ASP 34 N 0.79 -0.43 -0.59 0.57 3.32 -0.01 -0.63 116.42 119.44 2crl h ASP 34 Ca 0.21 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 2crl h ASP 34 Cb -0.04 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2crl h ASP 34 CO -0.04 -0.20 0.19 0.00 -1.72 0.00 0.00 179.24 177.47 2crl h ALA 35 N 0.78 1.15 -0.05 3.45 0.00 -1.23 -0.20 119.26 123.16 2crl h ALA 35 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2crl h ALA 35 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2crl h ALA 35 CO -0.18 0.58 0.00 0.28 0.00 0.00 0.00 179.25 179.94 2crl h VAL 36 N 0.92 0.97 0.12 0.00 2.07 -0.45 0.36 116.25 120.24 2crl h VAL 36 Ca 0.20 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2crl h VAL 36 Cb 0.28 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2crl h VAL 36 CO -0.01 0.00 -0.06 0.03 0.02 0.00 0.00 177.57 177.56 2crl h ARG 37 N 0.02 -0.15 -0.63 1.57 3.08 -0.98 -3.22 114.38 114.07 2crl h ARG 37 Ca 0.02 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.15 2crl h ARG 37 Cb 0.02 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2crl h ARG 37 CO -0.03 0.24 0.30 -0.22 -1.07 0.00 0.00 179.97 179.19 2crl h LYS 38 N -0.58 0.53 -0.73 0.04 3.64 -1.00 1.89 116.57 120.37 2crl h LYS 38 Ca -0.02 -0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.54 2crl h LYS 38 Cb 0.46 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2crl h LYS 38 CO 0.03 0.35 0.64 0.66 -2.27 0.00 0.00 179.45 178.86 2crl h SER 39 N 0.55 0.00 0.00 4.20 4.64 -0.29 0.12 113.55 122.78 2crl h SER 39 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2crl h SER 39 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2crl h SER 39 CO -0.23 0.00 -0.19 0.18 -0.87 0.00 0.00 176.83 175.72 2crl n LEU 40 N -3.89 1.15 -4.58 5.97 4.77 -0.10 -4.92 117.00 115.40 2crl n LEU 40 Ca 0.15 -1.81 -0.42 0.00 -0.03 0.00 0.00 56.01 53.89 2crl n LEU 40 Cb 0.90 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 2crl n LEU 40 CO 0.32 0.43 1.09 -1.58 -1.33 0.00 0.00 177.39 176.33 2crl s GLN 41 N -1.24 3.53 -1.30 3.23 0.74 0.62 -3.75 119.66 121.49 2crl s GLN 41 Ca 0.12 0.34 -0.07 0.00 0.05 0.00 0.00 55.36 55.80 2crl s GLN 41 Cb 0.11 -4.01 0.01 0.00 1.10 0.00 0.00 33.01 30.22 2crl s GLN 41 CO 0.01 -1.66 1.13 0.41 -0.55 0.00 0.00 175.29 174.64 2crl n GLY 42 N 5.05 -0.49 3.79 2.59 0.00 -1.26 -4.93 105.19 109.94 2crl n GLY 42 Ca 0.10 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.32 5.23 0.14 1.61 1.01 -1.25 -5.04 120.40 118.78 2crl s VAL 43 Ca 0.46 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 2crl s VAL 43 Cb -0.20 -3.30 -0.14 0.00 0.00 0.00 0.00 36.38 32.74 2crl s VAL 43 CO 0.72 0.56 0.46 0.00 0.00 0.00 0.00 175.10 176.84 2crl n ALA 44 N 2.50 -2.55 0.00 5.51 0.00 -1.26 -0.55 120.51 124.16 2crl n ALA 44 Ca -0.19 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2crl n ALA 44 Cb 0.54 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.55 1.73 3.76 0.00 0.00 -1.26 -4.95 105.19 106.01 2crl n GLY 45 Ca 0.14 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.27 -0.13 1.61 1.01 0.29 -3.94 120.40 122.51 2crl s VAL 46 Ca 0.00 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.23 2crl s VAL 46 Cb 0.00 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 2crl s VAL 46 CO 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 175.10 175.29 2crl n GLN 47 N 1.43 0.84 -3.65 2.72 -0.00 0.04 -4.39 117.38 114.36 2crl n GLN 47 Ca 0.01 0.06 -0.12 0.00 -0.00 0.00 0.00 57.00 56.94 2crl n GLN 47 Cb 0.44 -1.27 -0.06 0.00 -0.00 0.00 0.00 30.24 29.35 2crl n GLN 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2crl s ASP 48 N -5.03 -0.27 -0.20 2.61 1.01 -0.98 -4.90 116.67 108.89 2crl s ASP 48 Ca -0.15 -0.09 -0.05 0.00 0.71 0.00 0.00 52.55 52.98 2crl s ASP 48 Cb 0.04 0.44 0.10 0.00 1.01 0.00 0.00 42.92 44.51 2crl s ASP 48 CO 0.34 -0.72 0.38 0.54 0.21 0.00 0.00 175.17 175.91 2crl s VAL 49 N -2.86 -0.59 -0.05 -1.27 0.11 -1.26 0.95 120.40 115.43 2crl s VAL 49 Ca -0.03 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 2crl s VAL 49 Cb -0.00 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2crl s VAL 49 CO -0.05 0.01 0.13 -1.61 -3.33 0.00 0.00 175.10 170.24 2crl s GLU 50 N 2.55 3.30 -0.25 1.54 8.01 0.57 -4.95 118.70 129.48 2crl s GLU 50 Ca 0.04 -0.31 -0.00 0.00 0.01 0.00 0.00 54.97 54.70 2crl s GLU 50 Cb -0.13 -3.04 0.07 0.00 -4.31 0.00 0.00 34.13 26.72 2crl s GLU 50 CO -0.13 0.70 0.01 0.54 0.01 0.00 0.00 175.26 176.40 2crl s VAL 51 N -1.16 1.15 -0.49 2.63 0.11 -1.26 -0.14 120.40 121.24 2crl s VAL 51 Ca 0.21 -1.15 -0.14 0.00 -2.93 0.00 0.00 61.98 57.97 2crl s VAL 51 Cb -0.12 -1.61 0.11 0.00 -1.53 0.00 0.00 36.38 33.22 2crl s VAL 51 CO 0.11 -0.29 0.41 -1.00 -3.33 0.00 0.00 175.10 171.01 2crl s HIS 52 N 1.54 3.29 0.28 1.54 3.76 0.84 -4.92 115.29 121.62 2crl s HIS 52 Ca 0.00 -1.31 0.10 0.00 -0.15 0.00 0.00 55.06 53.70 2crl s HIS 52 Cb -0.18 -3.47 0.37 0.00 1.11 0.00 0.00 32.58 30.41 2crl s HIS 52 CO -0.11 -0.93 1.62 1.25 -0.85 0.00 0.00 174.74 175.72 2crl h LEU 53 N 8.72 0.04 -0.26 0.89 5.85 -1.95 0.26 115.31 128.86 2crl h LEU 53 Ca -0.27 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.44 2crl h LEU 53 Cb 1.10 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2crl h LEU 53 CO 0.93 0.63 0.15 -0.33 -0.34 0.00 0.00 178.44 179.47 2crl h GLU 54 N 0.03 0.30 -0.53 1.25 5.08 -1.94 -2.62 114.58 116.15 2crl h GLU 54 Ca -0.01 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2crl h GLU 54 Cb 1.06 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.17 2crl h GLU 54 CO 0.08 0.20 0.11 -0.25 -1.00 0.00 0.00 179.01 178.15 2crl n ASP 55 N -4.95 4.46 -4.10 1.42 8.00 -1.21 -4.94 116.55 115.23 2crl n ASP 55 Ca -0.02 -3.18 -0.32 0.00 0.71 0.00 0.00 54.79 51.98 2crl n ASP 55 Cb 0.05 -0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 40.41 2crl n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crl n GLN 56 N -0.24 -0.84 -4.36 -1.24 1.13 -0.38 -4.90 117.38 106.55 2crl n GLN 56 Ca 0.32 0.10 -0.25 0.00 -1.94 0.00 0.00 57.00 55.24 2crl n GLN 56 Cb 1.18 -3.63 -0.09 0.00 0.11 0.00 0.00 30.24 27.80 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 -6.57 1.95 -0.18 -1.09 -1.94 0.78 -2.64 119.30 109.62 2crl s MET 57 Ca 0.40 -1.50 -0.04 0.00 -1.71 0.00 0.00 55.69 52.83 2crl s MET 57 Cb -0.23 -2.00 0.09 0.00 2.01 0.00 0.00 34.83 34.69 2crl s MET 57 CO 0.88 0.37 0.30 0.08 -0.01 0.00 0.00 175.02 176.64 2crl s VAL 58 N -2.16 -0.47 -0.02 -6.03 1.01 -0.52 -0.11 120.40 112.10 2crl s VAL 58 Ca 0.28 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 2crl s VAL 58 Cb -0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2crl s VAL 58 CO 0.16 -0.01 0.19 -0.76 0.00 0.00 0.00 175.10 174.69 2crl s LEU 59 N 2.46 4.37 -0.32 3.92 1.43 0.81 -1.54 118.68 129.81 2crl s LEU 59 Ca 0.04 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2crl s LEU 59 Cb -0.14 -2.55 0.10 0.00 0.03 0.00 0.00 46.19 43.63 2crl s LEU 59 CO -0.11 0.28 0.11 -0.69 0.23 0.00 0.00 176.35 176.17 2crl s VAL 60 N -1.28 0.78 -0.99 -1.59 1.01 -1.21 -0.32 120.40 116.80 2crl s VAL 60 Ca 0.26 -1.40 -0.23 0.00 0.00 0.00 0.00 61.98 60.60 2crl s VAL 60 Cb -0.13 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2crl s VAL 60 CO 0.16 -0.70 1.72 -1.00 0.00 0.00 0.00 175.10 175.28 2crl s HIS 61 N 1.59 2.18 0.06 5.22 3.76 0.27 -3.57 115.29 124.80 2crl s HIS 61 Ca 0.10 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 54.89 2crl s HIS 61 Cb -0.18 -4.36 -0.03 0.00 1.11 0.00 0.00 32.58 29.12 2crl s HIS 61 CO -0.24 -1.80 -0.06 -0.08 -0.85 0.00 0.00 174.74 171.70 2crl s THR 62 N 7.61 0.53 -1.09 1.30 -1.32 -1.13 -0.78 115.64 120.76 2crl s THR 62 Ca 0.59 -1.48 0.29 0.00 -1.21 0.00 0.00 61.69 59.87 2crl s THR 62 Cb -0.03 -1.10 0.28 0.00 -1.51 0.00 0.00 72.50 70.14 2crl s THR 62 CO -0.04 -0.65 1.92 0.35 -2.21 0.00 0.00 174.62 173.99 2crl n THR 63 N 0.73 0.00 -2.53 5.08 -2.24 -1.25 -1.95 114.28 112.12 2crl n THR 63 Ca -0.18 -0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 2crl n THR 63 Cb 0.58 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.91 3.75 0.31 3.22 1.43 -1.26 -4.52 118.68 118.69 2crl s LEU 64 Ca 0.17 1.69 -0.29 0.00 -1.03 0.00 0.00 54.13 54.67 2crl s LEU 64 Cb 0.19 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 2crl s LEU 64 CO 0.53 -0.60 1.23 -2.16 0.23 0.00 0.00 176.35 175.57 2crl s PRO 65 N -3.64 4.46 0.06 1.29 0.04 -1.26 -4.80 135.00 131.16 2crl s PRO 65 Ca 0.62 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.59 2crl s PRO 65 Cb -0.11 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2crl s PRO 65 CO 0.24 -0.04 0.92 0.45 0.04 0.00 0.00 177.00 178.61 2crl n SER 66 N 1.00 -0.42 -0.27 6.66 2.88 -1.26 0.12 113.62 122.33 2crl n SER 66 Ca -0.00 1.02 0.11 0.00 -1.33 0.00 0.00 58.87 58.67 2crl n SER 66 Cb 0.43 -0.24 0.23 0.00 -0.75 0.00 0.00 64.21 63.87 2crl n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2crl n GLN 67 N -3.94 -0.06 0.41 -1.46 10.64 -1.26 0.40 117.38 122.11 2crl n GLN 67 Ca 0.01 1.15 -0.19 0.00 -1.83 0.00 0.00 57.00 56.14 2crl n GLN 67 Cb 0.10 -1.83 -0.09 0.00 -0.86 0.00 0.00 30.24 27.56 2crl n GLN 67 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2crl h GLU 68 N 0.00 -0.99 0.42 2.61 4.81 0.54 -3.01 114.58 118.95 2crl h GLU 68 Ca 0.47 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 2crl h GLU 68 Cb 0.96 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2crl h GLU 68 CO -0.72 -0.66 -0.29 0.28 -0.73 0.00 0.00 179.01 176.89 2crl h VAL 69 N -1.03 0.40 -0.72 0.32 2.07 0.30 -2.74 116.25 114.85 2crl h VAL 69 Ca -0.11 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.59 2crl h VAL 69 Cb 0.79 0.40 -0.14 0.00 -1.52 0.00 0.00 31.29 30.83 2crl h VAL 69 CO 0.17 0.00 -0.06 1.67 0.02 0.00 0.00 177.57 179.38 2crl n GLN 70 N -5.42 -0.06 -0.07 1.57 7.27 0.11 0.18 117.38 120.96 2crl n GLN 70 Ca -0.11 1.10 -0.11 0.00 0.07 0.00 0.00 57.00 57.96 2crl n GLN 70 Cb 0.32 -1.71 -0.04 0.00 2.41 0.00 0.00 30.24 31.22 2crl n GLN 70 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2crl h ALA 71 N 1.45 0.30 -0.45 1.69 0.00 -1.35 -2.25 119.26 118.65 2crl h ALA 71 Ca 0.41 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.30 2crl h ALA 71 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2crl h ALA 71 CO -0.70 -0.07 0.38 -0.07 0.00 0.00 0.00 179.25 178.79 2crl h LEU 72 N 0.20 0.00 0.17 0.00 3.38 0.21 -0.57 115.31 118.70 2crl h LEU 72 Ca 0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 2crl h LEU 72 Cb 0.24 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.02 2crl h LEU 72 CO -0.00 0.00 -1.09 -0.07 0.09 0.00 0.00 178.44 177.37 2crl h LEU 73 N 0.00 0.67 -2.52 1.67 3.38 -0.78 -3.24 115.31 114.48 2crl h LEU 73 Ca 0.21 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 2crl h LEU 73 Cb 0.97 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2crl h LEU 73 CO -0.00 1.52 -0.01 -0.33 0.09 0.00 0.00 178.44 179.71 2crl h GLU 74 N -0.08 0.00 0.00 1.13 5.08 -0.56 -1.98 114.58 118.16 2crl h GLU 74 Ca -0.18 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2crl h GLU 74 Cb 1.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2crl h GLU 74 CO 0.21 0.01 -0.17 0.78 -1.00 0.00 0.00 179.01 178.83 2crl h GLY 75 N 0.57 0.00 2.00 -3.84 0.00 -1.39 -2.02 103.07 98.39 2crl h GLY 75 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2crl h GLY 75 CO 0.00 0.00 -0.27 -0.91 0.00 0.00 0.00 176.54 175.36 2crl h THR 76 N 0.00 0.67 0.00 4.70 1.35 -1.52 -3.47 112.91 114.63 2crl h THR 76 Ca -0.00 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 2crl h THR 76 Cb 0.36 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2crl h THR 76 CO 0.02 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 2crl n GLY 77 N 0.13 3.53 3.91 5.82 0.00 -0.76 -5.11 105.19 112.72 2crl n GLY 77 Ca -0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 1.63 0.14 1.61 1.70 -1.26 -5.00 118.95 117.76 2crl s ARG 78 Ca 0.00 -0.08 0.03 0.00 -0.47 0.00 0.00 55.73 55.21 2crl s ARG 78 Cb 0.00 -1.95 -0.04 0.00 -0.57 0.00 0.00 34.95 32.39 2crl s ARG 78 CO 0.00 -1.78 0.19 -1.14 -1.08 0.00 0.00 175.30 171.49 2crl s GLN 79 N -5.62 3.17 -0.20 3.89 0.74 -1.26 -4.01 119.66 116.36 2crl s GLN 79 Ca 0.65 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 55.34 2crl s GLN 79 Cb -0.09 -2.82 0.06 0.00 1.10 0.00 0.00 33.01 31.26 2crl s GLN 79 CO 0.50 0.52 0.02 0.00 -0.55 0.00 0.00 175.29 175.78 2crl s ALA 80 N -1.67 1.16 -0.21 1.58 0.00 -1.26 -4.19 121.76 117.17 2crl s ALA 80 Ca 0.33 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 2crl s ALA 80 Cb -0.11 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2crl s ALA 80 CO 0.26 -1.17 0.23 0.08 0.00 0.00 0.00 175.76 175.15 2crl s VAL 81 N 1.78 5.32 -0.26 0.00 1.01 -1.19 -4.86 120.40 122.20 2crl s VAL 81 Ca -0.02 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2crl s VAL 81 Cb -0.17 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 2crl s VAL 81 CO -0.08 0.35 1.26 -0.22 0.00 0.00 0.00 175.10 176.41 2crl s LEU 82 N 0.91 3.97 -0.13 3.92 2.96 -1.26 0.04 118.68 129.10 2crl s LEU 82 Ca 0.11 1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 55.23 2crl s LEU 82 Cb -0.13 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.91 2crl s LEU 82 CO 0.04 -0.96 0.24 0.11 -1.32 0.00 0.00 176.35 174.46 2crl h LYS 83 N 8.83 0.00 -1.35 1.98 1.79 -1.55 -3.48 116.57 122.78 2crl h LYS 83 Ca -0.25 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.34 2crl h LYS 83 Cb 1.09 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.45 2crl h LYS 83 CO 1.01 0.43 0.64 0.20 -1.08 0.00 0.00 179.45 180.65 2crl s GLY 84 N -4.00 0.11 -1.08 3.86 0.00 -1.26 -5.06 107.32 99.88 2crl s GLY 84 Ca -0.11 3.12 -0.23 0.00 0.00 0.00 0.00 44.72 47.50 2crl s GLY 84 CO 0.31 1.98 1.93 1.03 0.00 0.00 0.00 173.10 178.35 2crl n MET 85 N 2.10 1.59 0.00 2.90 2.81 -1.26 -3.81 117.12 121.45 2crl n MET 85 Ca -0.12 -2.32 0.00 0.00 -1.81 0.00 0.00 57.70 53.45 2crl n MET 85 Cb 0.56 -3.52 0.00 0.00 -0.71 0.00 0.00 33.22 29.55 2crl n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2crl n GLY 86 N 5.46 -2.91 3.45 3.03 0.00 -1.25 -4.77 105.19 108.21 2crl n GLY 86 Ca 0.46 -2.16 -0.44 0.00 0.00 0.00 0.00 46.02 43.88 2crl n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crl s SER 87 N -0.70 6.99 -0.07 1.61 0.01 -1.26 -4.77 113.70 115.51 2crl s SER 87 Ca 0.00 -2.83 -0.05 0.00 1.31 0.00 0.00 55.95 54.37 2crl s SER 87 Cb 0.00 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.86 2crl s SER 87 CO 0.00 -0.79 0.11 0.61 0.41 0.00 0.00 173.24 173.58 2crl n GLY 88 N 4.32 -3.66 3.17 3.44 0.00 -1.26 -5.05 105.19 106.14 2crl n GLY 88 Ca 0.33 0.79 -0.13 0.00 0.00 0.00 0.00 46.02 47.01 2crl n GLY 88 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2crl s GLN 89 N -0.43 0.33 -0.59 1.61 0.74 -1.26 -5.12 119.66 114.95 2crl s GLN 89 Ca -0.12 0.41 -0.11 0.00 0.05 0.00 0.00 55.36 55.58 2crl s GLN 89 Cb 0.01 0.15 0.15 0.00 1.10 0.00 0.00 33.01 34.42 2crl s GLN 89 CO 0.33 -0.04 0.50 -1.17 -0.55 0.00 0.00 175.29 174.35 2crl s LEU 90 N 0.20 6.01 -0.30 3.68 2.96 -1.26 -5.05 118.68 124.92 2crl s LEU 90 Ca -0.00 -2.20 -0.16 0.00 -0.22 0.00 0.00 54.13 51.55 2crl s LEU 90 Cb -0.02 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2crl s LEU 90 CO -0.00 -0.66 0.40 -1.10 -1.32 0.00 0.00 176.35 173.67 2crl s GLN 91 N 0.94 3.85 -0.27 1.98 -0.21 -1.26 -5.05 119.66 119.63 2crl s GLN 91 Ca 0.10 -0.08 -0.08 0.00 0.02 0.00 0.00 55.36 55.31 2crl s GLN 91 Cb -0.22 -3.72 -0.02 0.00 1.00 0.00 0.00 33.01 30.05 2crl s GLN 91 CO -0.02 -0.40 0.10 0.54 -2.12 0.00 0.00 175.29 173.39 2crl s ASN 92 N 1.68 5.28 0.00 5.90 4.22 -1.26 -4.96 114.94 125.81 2crl s ASN 92 Ca 0.15 -0.36 -0.00 0.00 -2.14 0.00 0.00 52.86 50.51 2crl s ASN 92 Cb -0.16 -1.95 -0.00 0.00 1.28 0.00 0.00 41.25 40.42 2crl s ASN 92 CO 0.11 -0.10 -0.00 -0.24 -2.04 0.00 0.00 177.10 174.82 2crl n SER 93 N 4.94 0.09 0.00 3.54 2.88 -1.26 -5.17 113.62 118.64 2crl n SER 93 Ca -0.15 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2crl n SER 93 Cb 0.50 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2crl n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crl n GLY 94 N 3.25 4.23 0.00 0.46 0.00 -1.26 -4.93 105.19 106.94 2crl n GLY 94 Ca -0.00 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 45.02 2crl n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crl n PRO 95 N -1.66 0.22 -1.14 1.61 -0.04 -1.26 -4.83 135.00 127.90 2crl n PRO 95 Ca 0.00 0.14 -0.35 0.00 -0.04 0.00 0.00 63.50 63.25 2crl n PRO 95 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 2crl n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2crl n SER 96 N -1.28 0.30 -0.25 3.54 7.64 -1.26 -4.74 113.62 117.56 2crl n SER 96 Ca 0.07 0.22 -0.05 0.00 1.01 0.00 0.00 58.87 60.12 2crl n SER 96 Cb 0.12 -0.72 0.10 0.00 -1.01 0.00 0.00 64.21 62.69 2crl n SER 96 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2crl h SER 97 N 8.97 1.03 0.00 6.43 0.02 -2.05 -3.54 113.55 124.41 2crl h SER 97 Ca -0.05 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2crl h SER 97 Cb 1.05 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2crl h SER 97 CO 1.05 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 178.28