#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 -1.24 -4.75 1.61 3.41 -1.26 -4.82 113.62 106.57 2crl n SER 2 Ca 0.00 -1.20 -0.41 0.00 -0.26 0.00 0.00 58.87 57.00 2crl n SER 2 Cb 0.00 -1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 62.40 2crl n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2crl s SER 3 N -3.37 6.83 0.27 4.04 0.15 -1.26 -5.02 113.70 115.33 2crl s SER 3 Ca 0.65 2.55 0.04 0.00 0.70 0.00 0.00 55.95 59.88 2crl s SER 3 Cb -0.38 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.29 2crl s SER 3 CO 0.98 -0.54 0.13 0.61 1.20 0.00 0.00 173.24 175.62 2crl n GLY 4 N 1.73 3.42 3.83 9.45 0.00 -1.26 -5.18 105.19 117.17 2crl n GLY 4 Ca 0.04 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.72 -0.13 0.03 1.61 0.01 -1.26 -5.19 113.70 106.05 2crl s SER 5 Ca 0.19 -0.85 -0.09 0.00 1.31 0.00 0.00 55.95 56.51 2crl s SER 5 Cb 0.01 0.78 0.00 0.00 0.21 0.00 0.00 66.02 67.02 2crl s SER 5 CO 0.13 -1.49 0.17 -0.94 0.41 0.00 0.00 173.24 171.53 2crl s SER 6 N -2.99 0.05 0.37 2.44 1.04 -1.26 -5.18 113.70 108.17 2crl s SER 6 Ca 0.13 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 2crl s SER 6 Cb -0.05 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.35 2crl s SER 6 CO 0.09 -0.51 0.59 -0.83 0.98 0.00 0.00 173.24 173.56 2crl s GLY 7 N -1.93 1.16 -0.26 7.32 0.00 -1.26 -5.18 107.32 107.17 2crl s GLY 7 Ca -0.07 -1.29 -0.28 0.00 0.00 0.00 0.00 44.72 43.08 2crl s GLY 7 CO -0.03 -0.78 1.25 -0.29 0.00 0.00 0.00 173.10 173.25 2crl s MET 8 N -2.71 0.25 0.28 2.90 -2.45 -1.26 -5.18 119.30 111.13 2crl s MET 8 Ca 0.26 0.13 0.10 0.00 -1.25 0.00 0.00 55.69 54.92 2crl s MET 8 Cb -0.02 0.12 -0.04 0.00 1.25 0.00 0.00 34.83 36.13 2crl s MET 8 CO 0.18 -0.06 -0.01 0.00 1.05 0.00 0.00 175.02 176.18 2crl s ALA 9 N -0.65 3.16 -0.15 4.11 0.00 -1.26 -5.14 121.76 121.82 2crl s ALA 9 Ca 0.05 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.01 2crl s ALA 9 Cb -0.02 -0.70 0.10 0.00 0.00 0.00 0.00 23.12 22.51 2crl s ALA 9 CO -0.07 0.23 0.88 -1.12 0.00 0.00 0.00 175.76 175.68 2crl s SER 10 N -3.68 -0.50 0.23 0.00 0.01 -1.26 -5.18 113.70 103.32 2crl s SER 10 Ca 0.32 0.66 0.12 0.00 1.31 0.00 0.00 55.95 58.35 2crl s SER 10 Cb -0.05 0.56 -0.05 0.00 0.21 0.00 0.00 66.02 66.69 2crl s SER 10 CO 0.20 -0.39 -0.22 -1.81 0.41 0.00 0.00 173.24 171.43 2crl s ASP 11 N -0.81 3.46 0.13 2.44 1.11 -1.26 -5.15 116.67 116.60 2crl s ASP 11 Ca -0.04 -0.95 -0.25 0.00 0.18 0.00 0.00 52.55 51.49 2crl s ASP 11 Cb -0.01 -0.27 0.07 0.00 1.07 0.00 0.00 42.92 43.77 2crl s ASP 11 CO 0.03 0.07 0.84 -0.94 1.18 0.00 0.00 175.17 176.35 2crl s SER 12 N -3.09 -0.30 -0.25 0.27 1.04 -1.26 -5.18 113.70 104.93 2crl s SER 12 Ca 0.25 -0.27 -0.27 0.00 0.48 0.00 0.00 55.95 56.14 2crl s SER 12 Cb -0.06 0.52 0.14 0.00 0.10 0.00 0.00 66.02 66.71 2crl s SER 12 CO 0.12 -0.91 1.10 -0.83 0.98 0.00 0.00 173.24 173.70 2crl s GLY 13 N -2.78 -0.09 -0.49 7.32 0.00 -1.26 -5.05 107.32 104.96 2crl s GLY 13 Ca 0.08 2.62 0.03 0.00 0.00 0.00 0.00 44.72 47.45 2crl s GLY 13 CO -0.02 1.56 1.53 0.70 0.00 0.00 0.00 173.10 176.86 2crl n ASN 14 N 1.55 6.03 -1.61 1.64 3.02 -1.26 -4.80 115.26 119.83 2crl n ASN 14 Ca -0.11 -3.77 -0.05 0.00 -0.03 0.00 0.00 54.58 50.63 2crl n ASN 14 Cb 0.57 -0.64 0.01 0.00 -0.61 0.00 0.00 39.78 39.11 2crl n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2crl n GLN 15 N -0.71 1.23 -0.99 3.52 0.00 -1.26 -4.92 117.38 114.24 2crl n GLN 15 Ca 0.50 -0.45 -0.29 0.00 0.00 0.00 0.00 57.00 56.76 2crl n GLN 15 Cb 0.74 -1.18 0.21 0.00 0.00 0.00 0.00 30.24 30.02 2crl n GLN 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2crl s GLY 16 N 1.47 1.55 -0.25 2.61 0.00 -1.26 -5.06 107.32 106.38 2crl s GLY 16 Ca 0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 2crl s GLY 16 CO -0.00 0.22 0.34 -1.59 0.00 0.00 0.00 173.10 172.06 2crl s THR 17 N -2.85 -0.51 -0.05 0.90 2.01 -1.26 -5.12 115.64 108.75 2crl s THR 17 Ca 0.67 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 2crl s THR 17 Cb -0.17 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2crl s THR 17 CO 0.58 -0.23 1.54 -0.22 -0.69 0.00 0.00 174.62 175.61 2crl s LEU 18 N 2.47 4.30 0.15 4.42 2.96 -1.26 -4.50 118.68 127.22 2crl s LEU 18 Ca 0.10 2.15 0.03 0.00 -0.22 0.00 0.00 54.13 56.19 2crl s LEU 18 Cb -0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2crl s LEU 18 CO -0.21 -0.86 -0.05 0.00 -1.32 0.00 0.00 176.35 173.92 2crl s THR 20 N -3.51 5.01 -0.14 0.00 2.01 -1.26 -2.82 115.64 114.93 2crl s THR 20 Ca 0.19 0.98 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 2crl s THR 20 Cb 0.05 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.79 2crl s THR 20 CO 0.01 0.48 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.62 2crl s LEU 21 N -0.46 1.26 0.11 4.42 1.43 -0.97 -4.33 118.68 120.14 2crl s LEU 21 Ca 0.26 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 2crl s LEU 21 Cb -0.17 -0.77 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 2crl s LEU 21 CO 0.14 -0.18 0.62 -1.61 0.23 0.00 0.00 176.35 175.54 2crl s GLU 22 N 1.74 4.24 -0.11 1.70 2.02 -1.26 -0.31 118.70 126.72 2crl s GLU 22 Ca 0.02 0.79 -0.04 0.00 0.02 0.00 0.00 54.97 55.77 2crl s GLU 22 Cb -0.14 -3.17 0.06 0.00 0.10 0.00 0.00 34.13 30.97 2crl s GLU 22 CO -0.07 0.59 0.17 -0.06 0.02 0.00 0.00 175.26 175.90 2crl s PHE 23 N -1.20 -0.17 -0.80 1.61 0.08 0.70 -1.87 117.98 116.33 2crl s PHE 23 Ca 0.33 0.48 -0.26 0.00 0.12 0.00 0.00 56.93 57.60 2crl s PHE 23 Cb -0.19 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2crl s PHE 23 CO 0.20 -0.35 1.48 0.00 -0.10 0.00 0.00 175.22 176.46 2crl s ALA 24 N 2.29 2.54 -0.12 5.36 0.00 0.13 -0.42 121.76 131.54 2crl s ALA 24 Ca 0.04 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 2crl s ALA 24 Cb -0.13 -4.36 -0.05 0.00 0.00 0.00 0.00 23.12 18.58 2crl s ALA 24 CO -0.07 -3.62 0.24 0.08 0.00 0.00 0.00 175.76 172.39 2crl s VAL 25 N 6.53 5.34 -0.63 0.00 1.01 -0.65 -3.12 120.40 128.87 2crl s VAL 25 Ca 0.47 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.62 2crl s VAL 25 Cb -0.07 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2crl s VAL 25 CO 0.08 0.51 1.08 -1.58 0.00 0.00 0.00 175.10 175.19 2crl s GLN 26 N -0.37 3.27 0.40 2.72 0.74 -1.26 -4.46 119.66 120.70 2crl s GLN 26 Ca 0.16 -0.32 0.08 0.00 0.05 0.00 0.00 55.36 55.33 2crl s GLN 26 Cb -0.13 -4.12 -0.01 0.00 1.10 0.00 0.00 33.01 29.85 2crl s GLN 26 CO 0.05 -1.77 0.47 -1.64 -0.55 0.00 0.00 175.29 171.85 2crl s MET 27 N 4.60 2.75 0.00 1.67 -1.94 -1.26 -4.96 119.30 120.16 2crl s MET 27 Ca 0.31 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 2crl s MET 27 Cb -0.12 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.11 2crl s MET 27 CO 0.17 -0.19 0.00 0.25 -0.01 0.00 0.00 175.02 175.24 2crl n THR 28 N -1.69 0.00 -4.00 2.05 -2.24 -1.26 -5.08 114.28 102.06 2crl n THR 28 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 2crl n THR 28 Cb 0.60 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crl h GLN 30 N 2.13 -0.11 -0.80 0.00 5.75 -2.00 -1.17 115.11 118.90 2crl h GLN 30 Ca -0.28 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.30 2crl h GLN 30 Cb 1.25 0.03 -0.10 0.00 1.07 0.00 0.00 27.48 29.73 2crl h GLN 30 CO 0.38 -0.08 -0.47 0.45 -2.65 0.00 0.00 178.83 176.46 2crl n SER 31 N -5.37 -0.85 -0.37 -0.69 2.88 -1.26 0.16 113.62 108.12 2crl n SER 31 Ca 0.03 1.50 0.32 0.00 -1.33 0.00 0.00 58.87 59.40 2crl n SER 31 Cb 0.33 -0.22 0.59 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.10 1.32 0.18 0.00 2.07 0.15 -2.98 116.25 117.09 2crl h VAL 33 Ca 0.82 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2crl h VAL 33 Cb 2.26 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 33.66 2crl h VAL 33 CO -0.61 0.43 -0.47 0.44 0.02 0.00 0.00 177.57 177.38 2crl h ASP 34 N 0.29 -1.39 -0.02 0.57 5.19 0.14 -0.90 116.42 120.29 2crl h ASP 34 Ca 0.04 0.14 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2crl h ASP 34 Cb 0.78 0.51 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 2crl h ASP 34 CO 0.06 -0.54 -0.32 0.00 -3.12 0.00 0.00 179.24 175.32 2crl h ALA 35 N -0.41 -0.75 -0.86 3.45 0.00 -1.49 0.19 119.26 119.39 2crl h ALA 35 Ca -0.00 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.03 2crl h ALA 35 Cb 0.74 0.78 -0.16 0.00 0.00 0.00 0.00 17.79 19.16 2crl h ALA 35 CO -0.23 -0.85 -0.25 0.28 0.00 0.00 0.00 179.25 178.20 2crl h VAL 36 N -0.39 0.12 0.55 0.00 2.07 -1.41 0.20 116.25 117.39 2crl h VAL 36 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2crl h VAL 36 Cb 0.42 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2crl h VAL 36 CO -0.22 0.00 -0.29 0.03 0.02 0.00 0.00 177.57 177.11 2crl h ARG 37 N -0.02 -0.76 -0.87 1.57 3.08 -0.54 -2.73 114.38 114.12 2crl h ARG 37 Ca 0.39 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.67 2crl h ARG 37 Cb 0.62 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 30.74 2crl h ARG 37 CO -0.88 -0.50 0.42 -0.22 -1.07 0.00 0.00 179.97 177.71 2crl h LYS 38 N -0.78 0.52 -0.09 0.04 3.11 0.10 2.06 116.57 121.52 2crl h LYS 38 Ca -0.07 -0.03 0.03 0.00 -2.81 0.00 0.00 60.65 57.76 2crl h LYS 38 Cb 0.62 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2crl h LYS 38 CO 0.10 0.34 0.16 0.66 -2.81 0.00 0.00 179.45 177.90 2crl h SER 39 N 0.53 0.00 0.00 4.20 4.64 -0.38 -2.01 113.55 120.53 2crl h SER 39 Ca 0.50 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.78 2crl h SER 39 Cb 0.83 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.81 2crl h SER 39 CO -0.43 0.00 -0.55 0.18 -0.87 0.00 0.00 176.83 175.16 2crl n LEU 40 N -3.49 1.00 -4.54 5.97 4.77 0.18 -4.91 117.00 115.98 2crl n LEU 40 Ca -0.01 -1.98 -0.43 0.00 -0.03 0.00 0.00 56.01 53.57 2crl n LEU 40 Cb 0.25 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2crl n LEU 40 CO 0.23 0.53 0.71 -1.58 -1.33 0.00 0.00 177.39 175.95 2crl s GLN 41 N -0.89 3.43 -1.25 3.23 2.00 0.64 -4.13 119.66 122.69 2crl s GLN 41 Ca 0.19 -0.06 -0.08 0.00 -2.00 0.00 0.00 55.36 53.41 2crl s GLN 41 Cb 0.20 -3.98 0.06 0.00 0.80 0.00 0.00 33.01 30.09 2crl s GLN 41 CO -0.05 -1.30 0.43 0.41 -0.50 0.00 0.00 175.29 174.29 2crl n GLY 42 N 5.02 -0.49 3.81 2.59 0.00 -1.26 -4.92 105.19 109.94 2crl n GLY 42 Ca 0.04 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.89 4.61 -0.40 1.61 1.01 -1.26 -4.92 120.40 118.17 2crl s VAL 43 Ca 0.35 1.27 -0.32 0.00 0.00 0.00 0.00 61.98 63.28 2crl s VAL 43 Cb -0.18 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 2crl s VAL 43 CO 0.43 0.33 1.61 0.00 0.00 0.00 0.00 175.10 177.47 2crl n ALA 44 N 1.08 0.17 0.00 5.51 0.00 -1.26 0.10 120.51 126.10 2crl n ALA 44 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2crl n ALA 44 Cb 0.51 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 5.47 3.11 3.68 0.00 0.00 -1.26 -5.04 105.19 111.14 2crl n GLY 45 Ca 0.41 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.09 3.50 -0.19 1.61 1.01 0.28 -3.86 120.40 122.67 2crl s VAL 46 Ca 0.00 0.78 0.11 0.00 0.00 0.00 0.00 61.98 62.87 2crl s VAL 46 Cb 0.00 -3.50 -0.23 0.00 0.00 0.00 0.00 36.38 32.65 2crl s VAL 46 CO 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 175.10 175.16 2crl n GLN 47 N 6.24 0.68 -3.56 2.72 -0.00 0.11 -4.01 117.38 119.57 2crl n GLN 47 Ca 0.16 0.10 -0.11 0.00 -0.00 0.00 0.00 57.00 57.15 2crl n GLN 47 Cb 0.42 -1.57 -0.03 0.00 -0.00 0.00 0.00 30.24 29.06 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 -5.97 -0.42 -0.21 2.61 1.01 -0.88 -4.88 116.67 107.93 2crl s ASP 48 Ca -0.17 -0.20 -0.09 0.00 0.71 0.00 0.00 52.55 52.80 2crl s ASP 48 Cb 0.07 0.59 0.08 0.00 1.01 0.00 0.00 42.92 44.67 2crl s ASP 48 CO 0.76 -1.00 0.48 0.54 0.21 0.00 0.00 175.17 176.16 2crl s VAL 49 N -3.80 -0.38 -0.12 -1.27 0.11 -1.26 0.14 120.40 113.83 2crl s VAL 49 Ca 0.04 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.17 2crl s VAL 49 Cb -0.01 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 2crl s VAL 49 CO -0.09 0.04 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.05 2crl s GLU 50 N 2.08 3.28 -0.27 1.54 0.41 -0.63 -4.95 118.70 120.15 2crl s GLU 50 Ca -0.06 -0.55 0.02 0.00 -0.41 0.00 0.00 54.97 53.98 2crl s GLU 50 Cb -0.10 -2.76 0.07 0.00 -1.78 0.00 0.00 34.13 29.56 2crl s GLU 50 CO -0.14 0.41 -0.06 0.08 -0.49 0.00 0.00 175.26 175.06 2crl s VAL 51 N -0.11 1.97 -0.52 2.63 1.01 -1.26 0.91 120.40 125.02 2crl s VAL 51 Ca 0.02 -1.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 2crl s VAL 51 Cb -0.13 -2.20 0.11 0.00 0.00 0.00 0.00 36.38 34.16 2crl s VAL 51 CO 0.03 -0.18 0.46 -1.00 0.00 0.00 0.00 175.10 174.42 2crl s HIS 52 N 1.16 3.25 0.29 5.22 3.76 0.20 -4.91 115.29 124.27 2crl s HIS 52 Ca -0.04 -1.20 0.12 0.00 -0.15 0.00 0.00 55.06 53.79 2crl s HIS 52 Cb -0.19 -3.61 0.47 0.00 1.11 0.00 0.00 32.58 30.36 2crl s HIS 52 CO -0.07 -0.95 1.68 1.25 -0.85 0.00 0.00 174.74 175.80 2crl h LEU 53 N 8.84 0.00 -1.02 0.89 5.85 -1.94 0.45 115.31 128.38 2crl h LEU 53 Ca -0.29 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.46 2crl h LEU 53 Cb 1.10 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2crl h LEU 53 CO 0.99 0.54 0.66 -0.08 -0.34 0.00 0.00 178.44 180.21 2crl h GLU 54 N 0.00 1.26 -0.11 1.25 4.57 -1.94 -2.68 114.58 116.93 2crl h GLU 54 Ca -0.01 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2crl h GLU 54 Cb 0.97 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2crl h GLU 54 CO 0.07 0.83 -0.09 -0.25 -1.18 0.00 0.00 179.01 178.39 2crl n ASP 55 N -4.42 2.65 -3.14 1.04 8.00 -1.16 -4.96 116.55 114.55 2crl n ASP 55 Ca 0.13 -3.29 -0.15 0.00 0.71 0.00 0.00 54.79 52.19 2crl n ASP 55 Cb 0.07 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.65 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 -1.12 -2.39 -3.90 -1.24 1.13 0.31 -4.89 117.38 105.28 2crl n GLN 56 Ca 0.20 0.14 -0.24 0.00 -1.94 0.00 0.00 57.00 55.16 2crl n GLN 56 Cb 0.76 -4.69 -0.02 0.00 0.11 0.00 0.00 30.24 26.40 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 -5.72 3.45 -0.26 -1.09 -1.94 0.13 -1.64 119.30 112.23 2crl s MET 57 Ca 0.27 -0.63 -0.02 0.00 -1.71 0.00 0.00 55.69 53.61 2crl s MET 57 Cb -0.16 -2.90 0.14 0.00 2.01 0.00 0.00 34.83 33.93 2crl s MET 57 CO 0.33 0.45 0.40 0.08 -0.01 0.00 0.00 175.02 176.27 2crl s VAL 58 N -1.89 -0.64 0.38 -6.03 1.01 0.44 0.60 120.40 114.27 2crl s VAL 58 Ca 0.35 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2crl s VAL 58 Cb -0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2crl s VAL 58 CO 0.29 -0.14 0.68 -0.76 0.00 0.00 0.00 175.10 175.17 2crl s LEU 59 N 2.57 3.87 -0.21 3.92 1.02 0.26 -0.22 118.68 129.90 2crl s LEU 59 Ca 0.13 0.87 -0.04 0.00 0.02 0.00 0.00 54.13 55.11 2crl s LEU 59 Cb -0.15 -3.75 0.08 0.00 0.02 0.00 0.00 46.19 42.39 2crl s LEU 59 CO -0.19 -0.37 0.14 -0.69 0.02 0.00 0.00 176.35 175.25 2crl s VAL 60 N -2.38 -0.15 -0.82 -1.59 1.01 0.58 -1.61 120.40 115.43 2crl s VAL 60 Ca 0.47 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 2crl s VAL 60 Cb -0.10 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.67 2crl s VAL 60 CO 0.35 -0.36 1.09 -1.00 0.00 0.00 0.00 175.10 175.18 2crl s HIS 61 N 2.19 2.86 0.11 5.22 3.76 0.12 -2.30 115.29 127.25 2crl s HIS 61 Ca 0.05 -0.97 -0.06 0.00 -0.15 0.00 0.00 55.06 53.93 2crl s HIS 61 Cb -0.16 -4.33 -0.02 0.00 1.11 0.00 0.00 32.58 29.18 2crl s HIS 61 CO -0.17 -1.61 0.15 -0.08 -0.85 0.00 0.00 174.74 172.18 2crl s THR 62 N 3.53 0.13 -1.46 1.30 -1.32 -1.13 0.08 115.64 116.78 2crl s THR 62 Ca 0.30 -1.47 0.28 0.00 -1.21 0.00 0.00 61.69 59.59 2crl s THR 62 Cb -0.09 -1.61 0.37 0.00 -1.51 0.00 0.00 72.50 69.66 2crl s THR 62 CO -0.01 -0.61 1.83 0.35 -2.21 0.00 0.00 174.62 173.97 2crl n THR 63 N -0.07 0.00 -2.70 5.08 -2.24 -1.25 -2.33 114.28 110.77 2crl n THR 63 Ca -0.11 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 2crl n THR 63 Cb 0.62 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.62 3.82 0.43 3.22 1.43 -1.26 -4.54 118.68 119.16 2crl s LEU 64 Ca 0.24 1.54 -0.24 0.00 -1.03 0.00 0.00 54.13 54.64 2crl s LEU 64 Cb 0.20 -4.42 -0.08 0.00 0.03 0.00 0.00 46.19 41.91 2crl s LEU 64 CO 0.51 -0.43 1.18 -2.16 0.23 0.00 0.00 176.35 175.67 2crl s PRO 65 N -3.57 3.91 0.52 1.29 0.04 -1.26 -4.79 135.00 131.14 2crl s PRO 65 Ca 0.59 1.83 0.45 0.00 0.04 0.00 0.00 61.00 63.91 2crl s PRO 65 Cb -0.10 -2.56 1.66 0.00 0.04 0.00 0.00 34.50 33.55 2crl s PRO 65 CO 0.22 -0.44 1.57 -1.13 0.04 0.00 0.00 177.00 177.26 2crl n SER 66 N -0.18 0.07 0.13 6.66 3.41 -1.26 0.71 113.62 123.16 2crl n SER 66 Ca 0.06 1.14 -0.14 0.00 -0.26 0.00 0.00 58.87 59.67 2crl n SER 66 Cb 0.47 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 2crl n SER 66 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2crl h GLN 67 N 0.00 -0.30 -0.99 4.33 4.15 -1.99 0.23 115.11 120.54 2crl h GLN 67 Ca 0.93 0.02 0.07 0.00 0.77 0.00 0.00 58.65 60.43 2crl h GLN 67 Cb 3.48 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 31.18 2crl h GLN 67 CO -0.17 -0.04 0.64 1.49 -1.93 0.00 0.00 178.83 178.82 2crl h GLU 68 N -0.55 1.11 0.19 1.69 4.81 -0.06 -2.47 114.58 119.30 2crl h GLU 68 Ca -0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2crl h GLU 68 Cb 0.40 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2crl h GLU 68 CO 0.05 0.74 -0.09 0.28 -0.73 0.00 0.00 179.01 179.26 2crl h VAL 69 N 1.15 0.86 -0.89 0.32 2.07 -1.30 -3.03 116.25 115.42 2crl h VAL 69 Ca 0.43 -0.96 0.21 0.00 0.82 0.00 0.00 66.70 67.20 2crl h VAL 69 Cb 0.18 1.37 -0.16 0.00 -1.52 0.00 0.00 31.29 31.16 2crl h VAL 69 CO -0.17 0.19 -0.07 -0.61 0.02 0.00 0.00 177.57 176.94 2crl h GLN 70 N -0.78 0.04 -0.43 1.57 4.15 -0.33 0.38 115.11 119.70 2crl h GLN 70 Ca -0.03 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.41 2crl h GLN 70 Cb 0.52 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2crl h GLN 70 CO 0.04 0.02 0.26 0.00 -1.93 0.00 0.00 178.83 177.23 2crl h ALA 71 N 1.87 0.55 -0.86 3.38 0.00 -1.49 -1.30 119.26 121.41 2crl h ALA 71 Ca 0.48 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.46 2crl h ALA 71 Cb 0.88 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2crl h ALA 71 CO -0.85 -0.05 0.52 -0.07 0.00 0.00 0.00 179.25 178.80 2crl h LEU 72 N 0.53 0.78 -0.16 0.00 3.38 -0.17 -1.43 115.31 118.24 2crl h LEU 72 Ca 0.17 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2crl h LEU 72 Cb -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2crl h LEU 72 CO -0.07 0.47 0.00 -0.07 0.09 0.00 0.00 178.44 178.86 2crl h LEU 73 N 0.90 0.28 -2.31 1.67 3.38 -0.75 -2.70 115.31 115.78 2crl h LEU 73 Ca 0.40 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2crl h LEU 73 Cb 0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2crl h LEU 73 CO -0.21 0.51 0.10 -0.33 0.09 0.00 0.00 178.44 178.60 2crl h GLU 74 N 0.03 0.00 0.00 1.13 5.08 -0.70 -0.63 114.58 119.50 2crl h GLU 74 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2crl h GLU 74 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2crl h GLU 74 CO 0.01 0.00 -0.02 0.78 -1.00 0.00 0.00 179.01 178.78 2crl h GLY 75 N 0.00 0.00 2.00 -3.84 0.00 -0.93 -1.05 103.07 99.25 2crl h GLY 75 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 2crl h GLY 75 CO -0.00 0.00 -0.28 -0.91 0.00 0.00 0.00 176.54 175.35 2crl h THR 76 N 0.00 0.58 0.00 4.70 1.35 -1.21 -3.47 112.91 114.85 2crl h THR 76 Ca -0.00 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 2crl h THR 76 Cb 0.11 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2crl h THR 76 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 2crl n GLY 77 N 0.59 3.63 3.91 5.82 0.00 -0.40 -5.08 105.19 113.67 2crl n GLY 77 Ca 0.01 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 1.70 0.01 1.61 1.70 -1.26 -5.01 118.95 117.70 2crl s ARG 78 Ca 0.00 -0.10 -0.02 0.00 -0.47 0.00 0.00 55.73 55.14 2crl s ARG 78 Cb 0.00 -1.97 -0.04 0.00 -0.57 0.00 0.00 34.95 32.37 2crl s ARG 78 CO 0.00 -1.72 0.19 -1.14 -1.08 0.00 0.00 175.30 171.55 2crl s GLN 79 N -5.58 3.43 -0.19 3.89 0.74 -1.26 -4.07 119.66 116.62 2crl s GLN 79 Ca 0.64 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.70 2crl s GLN 79 Cb -0.09 -3.08 0.04 0.00 1.10 0.00 0.00 33.01 30.98 2crl s GLN 79 CO 0.49 0.66 -0.11 0.00 -0.55 0.00 0.00 175.29 175.78 2crl s ALA 80 N -1.38 1.98 -0.22 1.58 0.00 -1.26 -4.23 121.76 118.23 2crl s ALA 80 Ca 0.30 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 2crl s ALA 80 Cb -0.13 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2crl s ALA 80 CO 0.21 -0.76 0.23 0.08 0.00 0.00 0.00 175.76 175.53 2crl s VAL 81 N 1.41 5.32 -0.11 0.00 1.01 -1.18 -4.90 120.40 121.95 2crl s VAL 81 Ca -0.00 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2crl s VAL 81 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2crl s VAL 81 CO -0.09 0.34 1.39 -0.22 0.00 0.00 0.00 175.10 176.52 2crl s LEU 82 N 0.98 4.24 -0.11 3.92 2.96 -1.26 0.17 118.68 129.58 2crl s LEU 82 Ca 0.11 1.90 0.19 0.00 -0.22 0.00 0.00 54.13 56.11 2crl s LEU 82 Cb -0.13 -3.54 0.43 0.00 0.50 0.00 0.00 46.19 43.45 2crl s LEU 82 CO 0.04 -0.80 1.19 0.29 -1.32 0.00 0.00 176.35 175.76 2crl n LYS 83 N 6.57 0.89 0.00 1.98 4.76 -0.78 -4.93 118.16 126.65 2crl n LYS 83 Ca 0.15 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.88 2crl n LYS 83 Cb 0.44 -0.85 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 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 -0.29 -0.76 2.44 0.72 0.00 -1.24 -4.79 105.19 101.26 2crl n GLY 84 Ca 0.13 0.25 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 2crl n GLY 84 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2crl n MET 85 N -0.77 0.00 0.00 1.61 0.00 -1.26 -4.10 117.12 112.60 2crl n MET 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2crl n MET 85 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.14 2crl n MET 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2crl n GLY 86 N 4.95 -0.07 3.81 -5.12 0.00 -1.26 -5.04 105.19 102.47 2crl n GLY 86 Ca 0.44 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 2crl n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crl s SER 87 N -1.48 7.10 0.00 1.61 1.04 -1.26 -4.97 113.70 115.75 2crl s SER 87 Ca 0.00 1.42 0.00 0.00 0.48 0.00 0.00 55.95 57.85 2crl s SER 87 Cb 0.00 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2crl s SER 87 CO 0.00 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2crl n GLY 88 N 0.96 2.34 3.84 7.32 0.00 -1.26 -5.08 105.19 113.32 2crl n GLY 88 Ca -0.04 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 2crl n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2crl s GLN 89 N -1.87 3.22 0.03 1.61 1.03 -1.26 -5.12 119.66 117.31 2crl s GLN 89 Ca 0.00 -0.45 -0.05 0.00 0.04 0.00 0.00 55.36 54.90 2crl s GLN 89 Cb 0.00 -2.95 -0.01 0.00 0.03 0.00 0.00 33.01 30.08 2crl s GLN 89 CO 0.00 0.64 0.08 -1.17 -2.54 0.00 0.00 175.29 172.30 2crl s LEU 90 N -2.02 1.85 -0.49 2.60 0.20 -1.26 -5.12 118.68 114.44 2crl s LEU 90 Ca 0.27 -0.49 -0.04 0.00 0.69 0.00 0.00 54.13 54.56 2crl s LEU 90 Cb -0.12 0.53 0.13 0.00 -0.43 0.00 0.00 46.19 46.29 2crl s LEU 90 CO 0.19 -0.46 0.31 -1.10 -0.29 0.00 0.00 176.35 175.00 2crl s GLN 91 N -2.29 2.28 0.65 1.98 1.11 -1.26 -5.09 119.66 117.04 2crl s GLN 91 Ca -0.08 -2.04 -0.15 0.00 0.01 0.00 0.00 55.36 53.11 2crl s GLN 91 Cb -0.03 -3.70 -0.01 0.00 -1.01 0.00 0.00 33.01 28.26 2crl s GLN 91 CO -0.03 -1.13 1.09 0.54 0.01 0.00 0.00 175.29 175.76 2crl s ASN 92 N 1.63 5.32 0.00 5.90 4.22 -1.26 -4.98 114.94 125.78 2crl s ASN 92 Ca 0.11 1.89 0.00 0.00 -2.14 0.00 0.00 52.86 52.71 2crl s ASN 92 Cb -0.22 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.77 2crl s ASN 92 CO -0.04 -1.48 0.00 -1.54 -2.04 0.00 0.00 177.10 172.00 2crl n SER 93 N -2.43 4.99 0.00 3.54 3.41 -1.26 -5.14 113.62 116.73 2crl n SER 93 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2crl n SER 93 Cb 0.52 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 2crl n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crl n GLY 94 N 2.67 2.59 3.51 5.00 0.00 -1.26 -5.09 105.19 112.61 2crl n GLY 94 Ca 0.00 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.17 -3.16 -3.72 1.61 -0.04 -1.26 -5.09 135.00 123.17 2crl n PRO 95 Ca 0.00 -1.75 -0.12 0.00 -0.04 0.00 0.00 63.50 61.59 2crl n PRO 95 Cb 0.00 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 31.69 2crl n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2crl s SER 96 N -4.45 -0.26 -0.21 3.54 0.01 -1.26 -5.14 113.70 105.92 2crl s SER 96 Ca 0.71 0.60 -0.10 0.00 1.31 0.00 0.00 55.95 58.47 2crl s SER 96 Cb -0.07 0.50 0.08 0.00 0.21 0.00 0.00 66.02 66.75 2crl s SER 96 CO 0.55 -0.18 0.49 -0.55 0.41 0.00 0.00 173.24 173.96 2crl s SER 97 N 1.39 -0.57 0.00 2.44 0.15 -1.26 -5.35 113.70 110.50 2crl s SER 97 Ca -0.09 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2crl s SER 97 Cb -0.10 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 2crl s SER 97 CO -0.09 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.74