#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 -4.73 -3.80 1.61 7.64 -1.26 -5.02 113.62 108.06 2crl n SER 2 Ca 0.00 -0.44 -0.16 0.00 1.01 0.00 0.00 58.87 59.28 2crl n SER 2 Cb 0.00 -4.12 -0.16 0.00 -1.01 0.00 0.00 64.21 58.92 2crl n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2crl s SER 3 N -3.44 0.25 0.15 6.43 0.01 -1.26 -5.16 113.70 110.69 2crl s SER 3 Ca 0.36 0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.63 2crl s SER 3 Cb -0.16 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2crl s SER 3 CO 0.58 -0.11 0.02 -0.83 0.41 0.00 0.00 173.24 173.32 2crl s GLY 4 N 0.98 1.10 0.11 3.44 0.00 -1.26 -5.17 107.32 106.53 2crl s GLY 4 Ca -0.09 -1.53 -0.26 0.00 0.00 0.00 0.00 44.72 42.84 2crl s GLY 4 CO -0.02 -1.45 0.98 -0.45 0.00 0.00 0.00 173.10 172.15 2crl s SER 5 N -3.11 -0.20 -0.22 1.64 0.15 -1.26 -5.17 113.70 105.54 2crl s SER 5 Ca 0.23 -0.32 -0.08 0.00 0.70 0.00 0.00 55.95 56.48 2crl s SER 5 Cb 0.07 0.44 0.09 0.00 -1.71 0.00 0.00 66.02 64.91 2crl s SER 5 CO 0.02 -0.81 0.47 -0.44 1.20 0.00 0.00 173.24 173.69 2crl s SER 6 N -2.87 -0.47 -0.12 5.45 0.01 -1.26 -5.15 113.70 109.30 2crl s SER 6 Ca 0.11 1.10 -0.05 0.00 1.31 0.00 0.00 55.95 58.43 2crl s SER 6 Cb -0.01 1.43 0.06 0.00 0.21 0.00 0.00 66.02 67.71 2crl s SER 6 CO -0.00 -0.22 0.24 -0.83 0.41 0.00 0.00 173.24 172.84 2crl s GLY 7 N 2.45 -0.11 0.06 3.44 0.00 -1.26 -5.15 107.32 106.75 2crl s GLY 7 Ca -0.04 0.92 0.04 0.00 0.00 0.00 0.00 44.72 45.64 2crl s GLY 7 CO -0.14 1.67 -0.12 1.06 0.00 0.00 0.00 173.10 175.57 2crl s MET 8 N 1.98 0.73 0.11 2.90 1.00 -1.26 -5.16 119.30 119.60 2crl s MET 8 Ca -0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 55.69 54.66 2crl s MET 8 Cb -0.11 -0.66 0.01 0.00 0.00 0.00 0.00 34.83 34.06 2crl s MET 8 CO -0.08 0.14 0.28 0.00 0.00 0.00 0.00 175.02 175.36 2crl s ALA 9 N -1.30 -0.45 -0.14 3.03 0.00 -1.26 -5.15 121.76 116.49 2crl s ALA 9 Ca -0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2crl s ALA 9 Cb -0.10 0.62 0.04 0.00 0.00 0.00 0.00 23.12 23.68 2crl s ALA 9 CO 0.02 -0.58 -0.01 -1.12 0.00 0.00 0.00 175.76 174.07 2crl s SER 10 N -2.86 2.42 -0.31 0.00 0.01 -1.26 -5.10 113.70 106.60 2crl s SER 10 Ca 0.06 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.82 2crl s SER 10 Cb 0.03 -0.66 0.10 0.00 0.21 0.00 0.00 66.02 65.71 2crl s SER 10 CO -0.10 -0.22 0.08 -0.62 0.41 0.00 0.00 173.24 172.80 2crl s ASP 11 N 1.82 4.14 0.16 2.44 2.15 -1.26 -5.10 116.67 121.02 2crl s ASP 11 Ca 0.02 -1.70 -0.21 0.00 0.43 0.00 0.00 52.55 51.09 2crl s ASP 11 Cb -0.15 -1.01 0.06 0.00 -0.30 0.00 0.00 42.92 41.52 2crl s ASP 11 CO -0.07 -0.40 0.56 -0.94 -0.17 0.00 0.00 175.17 174.15 2crl s SER 12 N 1.48 -0.46 0.00 -0.34 1.04 -1.26 -5.16 113.70 109.01 2crl s SER 12 Ca 0.09 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2crl s SER 12 Cb -0.18 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2crl s SER 12 CO -0.21 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.64 2crl n GLY 13 N -0.35 0.72 3.41 7.32 0.00 -1.26 -5.15 105.19 109.87 2crl n GLY 13 Ca -0.15 0.58 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 2crl n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2crl s ASN 14 N 0.00 4.53 0.55 1.61 0.01 -1.26 -5.09 114.94 115.30 2crl s ASN 14 Ca 0.00 -0.26 -0.19 0.00 -0.71 0.00 0.00 52.86 51.70 2crl s ASN 14 Cb 0.00 -1.75 -0.09 0.00 0.41 0.00 0.00 41.25 39.82 2crl s ASN 14 CO 0.00 0.08 0.61 1.67 -1.51 0.00 0.00 177.10 177.95 2crl n GLN 15 N 4.11 0.61 -2.66 -0.60 -0.06 -1.26 -4.91 117.38 112.62 2crl n GLN 15 Ca -0.18 0.23 -0.41 0.00 -2.00 0.00 0.00 57.00 54.65 2crl n GLN 15 Cb 0.52 -1.76 -0.05 0.00 -4.06 0.00 0.00 30.24 24.90 2crl n GLN 15 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2crl s GLY 16 N -1.14 2.98 -0.16 1.69 0.00 -1.26 -5.04 107.32 104.39 2crl s GLY 16 Ca 0.69 0.67 -0.22 0.00 0.00 0.00 0.00 44.72 45.86 2crl s GLY 16 CO 0.54 1.47 0.58 -1.08 0.00 0.00 0.00 173.10 174.60 2crl s THR 17 N -0.34 0.01 -0.20 0.90 -1.32 -1.26 -5.15 115.64 108.28 2crl s THR 17 Ca 0.46 -0.05 -0.05 0.00 -1.21 0.00 0.00 61.69 60.85 2crl s THR 17 Cb -0.26 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2crl s THR 17 CO 0.32 -0.03 -0.01 -0.22 -2.21 0.00 0.00 174.62 172.48 2crl s LEU 18 N -0.17 3.23 0.08 9.08 0.20 -1.26 -4.04 118.68 125.81 2crl s LEU 18 Ca -0.04 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.61 2crl s LEU 18 Cb -0.03 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 2crl s LEU 18 CO 0.03 0.07 -0.09 0.00 -0.29 0.00 0.00 176.35 176.08 2crl s THR 20 N -2.42 4.28 0.09 0.00 2.01 -1.26 -2.46 115.64 115.88 2crl s THR 20 Ca 0.02 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 2crl s THR 20 Cb -0.03 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 2crl s THR 20 CO -0.01 0.04 0.35 -0.76 -0.69 0.00 0.00 174.62 173.55 2crl s LEU 21 N 1.55 4.32 -0.31 4.42 1.43 -1.04 -4.68 118.68 124.37 2crl s LEU 21 Ca 0.03 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 2crl s LEU 21 Cb -0.17 -3.05 0.08 0.00 0.03 0.00 0.00 46.19 43.08 2crl s LEU 21 CO 0.04 0.14 -0.00 -1.61 0.23 0.00 0.00 176.35 175.15 2crl s GLU 22 N -2.22 1.67 -0.18 1.70 2.02 -0.77 -0.89 118.70 120.02 2crl s GLU 22 Ca 0.35 -1.59 -0.04 0.00 0.02 0.00 0.00 54.97 53.71 2crl s GLU 22 Cb -0.13 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 2crl s GLU 22 CO 0.21 -0.80 -0.02 -0.06 0.02 0.00 0.00 175.26 174.61 2crl s PHE 23 N 1.05 3.03 -0.61 1.61 0.08 0.14 -0.13 117.98 123.15 2crl s PHE 23 Ca 0.03 -0.41 -0.23 0.00 0.12 0.00 0.00 56.93 56.45 2crl s PHE 23 Cb -0.19 -2.03 0.06 0.00 -0.57 0.00 0.00 43.02 40.28 2crl s PHE 23 CO -0.08 -0.16 0.94 0.00 -0.10 0.00 0.00 175.22 175.82 2crl s ALA 24 N 0.74 3.14 -0.01 5.36 0.00 0.59 0.11 121.76 131.70 2crl s ALA 24 Ca -0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.31 2crl s ALA 24 Cb -0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 2crl s ALA 24 CO 0.02 -2.60 0.22 0.08 0.00 0.00 0.00 175.76 173.48 2crl s VAL 25 N 3.98 5.38 -0.60 0.00 1.01 -1.02 -2.21 120.40 126.94 2crl s VAL 25 Ca 0.25 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 2crl s VAL 25 Cb -0.15 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.74 2crl s VAL 25 CO 0.14 0.35 0.93 -1.58 0.00 0.00 0.00 175.10 174.94 2crl s GLN 26 N -1.83 3.21 0.19 2.72 2.00 -1.26 -4.50 119.66 120.18 2crl s GLN 26 Ca 0.27 -0.58 0.06 0.00 -2.00 0.00 0.00 55.36 53.11 2crl s GLN 26 Cb -0.13 -4.14 -0.04 0.00 0.80 0.00 0.00 33.01 29.50 2crl s GLN 26 CO 0.17 -1.63 0.08 -1.64 -0.50 0.00 0.00 175.29 171.77 2crl s MET 27 N 3.93 2.67 -0.01 1.67 -1.94 -1.26 -4.98 119.30 119.39 2crl s MET 27 Ca 0.25 -1.02 -0.00 0.00 -1.71 0.00 0.00 55.69 53.21 2crl s MET 27 Cb -0.15 -2.49 -0.00 0.00 2.01 0.00 0.00 34.83 34.20 2crl s MET 27 CO 0.14 0.45 -0.01 0.25 -0.01 0.00 0.00 175.02 175.85 2crl n THR 28 N -0.41 0.03 -4.29 2.05 -2.24 -1.26 -5.05 114.28 103.11 2crl n THR 28 Ca -0.09 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 2crl n THR 28 Cb 0.56 -1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 67.70 2crl n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crl h GLN 30 N 2.11 -0.12 -0.21 0.00 5.75 -2.00 -2.72 115.11 117.92 2crl h GLN 30 Ca -0.25 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2crl h GLN 30 Cb 1.23 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 2crl h GLN 30 CO 0.36 -0.08 -0.12 0.45 -2.65 0.00 0.00 178.83 176.78 2crl n SER 31 N -5.40 -0.22 -0.30 -0.69 2.88 -1.26 0.12 113.62 108.74 2crl n SER 31 Ca 0.03 0.89 0.15 0.00 -1.33 0.00 0.00 58.87 58.61 2crl n SER 31 Cb 0.31 -0.30 0.29 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.00 1.25 -0.07 0.00 2.07 0.83 -2.21 116.25 118.12 2crl h VAL 33 Ca 0.56 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2crl h VAL 33 Cb 1.20 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2crl h VAL 33 CO -0.81 0.32 -0.19 -0.78 0.02 0.00 0.00 177.57 176.13 2crl h ASP 34 N 1.09 -0.57 0.76 0.57 3.58 0.35 -1.52 116.42 120.67 2crl h ASP 34 Ca 0.25 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.76 2crl h ASP 34 Cb 0.20 0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.51 2crl h ASP 34 CO -0.02 -0.25 -0.36 0.00 -2.88 0.00 0.00 179.24 175.73 2crl h ALA 35 N 0.70 -1.27 -0.97 -0.78 0.00 -1.30 -1.86 119.26 113.78 2crl h ALA 35 Ca 0.08 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.98 2crl h ALA 35 Cb 0.38 0.39 -0.18 0.00 0.00 0.00 0.00 17.79 18.38 2crl h ALA 35 CO -0.23 -1.19 -0.17 0.28 0.00 0.00 0.00 179.25 177.94 2crl n VAL 36 N -4.75 -0.41 0.28 0.00 0.31 -0.84 -0.25 118.33 112.66 2crl n VAL 36 Ca -0.13 2.19 -0.16 0.00 -0.01 0.00 0.00 64.34 66.23 2crl n VAL 36 Cb 0.40 -3.07 -0.08 0.00 -0.91 0.00 0.00 33.84 30.17 2crl n VAL 36 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2crl h ARG 37 N 0.00 -0.63 -0.32 5.55 3.08 -1.16 -2.99 114.38 117.91 2crl h ARG 37 Ca 0.50 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.66 2crl h ARG 37 Cb 0.85 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.98 2crl h ARG 37 CO -0.97 -0.42 -0.10 -0.22 -1.07 0.00 0.00 179.97 177.19 2crl h LYS 38 N -0.65 -0.03 -0.72 0.04 1.63 0.24 1.93 116.57 119.00 2crl h LYS 38 Ca -0.07 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 59.95 2crl h LYS 38 Cb 0.50 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 2crl h LYS 38 CO 0.11 -0.02 0.75 1.03 -3.45 0.00 0.00 179.45 177.87 2crl h SER 39 N -0.03 0.00 0.00 4.20 0.87 -0.54 0.17 113.55 118.22 2crl h SER 39 Ca 0.16 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2crl h SER 39 Cb 0.27 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.12 2crl h SER 39 CO -0.35 0.00 -0.54 0.18 -0.53 0.00 0.00 176.83 175.60 2crl n LEU 40 N -3.62 1.23 -4.57 2.23 4.77 0.26 -4.91 117.00 112.39 2crl n LEU 40 Ca 0.15 -2.21 -0.42 0.00 -0.03 0.00 0.00 56.01 53.49 2crl n LEU 40 Cb 1.00 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 2crl n LEU 40 CO 0.28 0.61 1.01 -1.58 -1.33 0.00 0.00 177.39 176.38 2crl s GLN 41 N -1.17 3.52 -1.74 3.23 2.00 0.63 -4.07 119.66 122.07 2crl s GLN 41 Ca 0.23 0.22 -0.19 0.00 -2.00 0.00 0.00 55.36 53.62 2crl s GLN 41 Cb 0.23 -4.00 0.17 0.00 0.80 0.00 0.00 33.01 30.21 2crl s GLN 41 CO -0.05 -1.58 0.71 0.41 -0.50 0.00 0.00 175.29 174.28 2crl n GLY 42 N 5.03 -0.42 3.87 2.59 0.00 -1.26 -4.91 105.19 110.08 2crl n GLY 42 Ca 0.08 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 4.84 0.09 1.61 1.01 -1.26 -4.99 120.40 118.38 2crl s VAL 43 Ca 0.73 0.63 -0.35 0.00 0.00 0.00 0.00 61.98 62.99 2crl s VAL 43 Cb -0.40 -3.62 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 2crl s VAL 43 CO 0.95 -0.12 0.92 0.00 0.00 0.00 0.00 175.10 176.85 2crl n ALA 44 N -0.25 -2.88 0.00 5.51 0.00 -1.26 -0.79 120.51 120.84 2crl n ALA 44 Ca 0.02 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2crl n ALA 44 Cb 0.53 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.77 2.09 3.76 0.00 0.00 -1.26 -4.98 105.19 106.57 2crl n GLY 45 Ca 0.19 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.04 3.11 -0.05 1.61 1.01 0.03 -3.84 120.40 122.22 2crl s VAL 46 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 61.98 63.14 2crl s VAL 46 Cb 0.00 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 2crl s VAL 46 CO 0.00 0.26 0.03 0.00 0.00 0.00 0.00 175.10 175.39 2crl n GLN 47 N 0.96 2.77 -3.50 2.72 0.00 0.38 -4.43 117.38 116.29 2crl n GLN 47 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 57.00 56.85 2crl n GLN 47 Cb 0.43 -1.15 -0.04 0.00 0.00 0.00 0.00 30.24 29.48 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 -3.62 -0.53 -0.16 2.61 2.15 -0.99 -4.96 116.67 111.17 2crl s ASP 48 Ca -0.03 0.19 -0.07 0.00 0.43 0.00 0.00 52.55 53.07 2crl s ASP 48 Cb 0.02 0.55 0.07 0.00 -0.30 0.00 0.00 42.92 43.25 2crl s ASP 48 CO 0.24 -0.81 0.36 -0.69 -0.17 0.00 0.00 175.17 174.10 2crl s VAL 49 N -2.82 -0.29 -0.12 1.11 1.01 -1.26 0.83 120.40 118.85 2crl s VAL 49 Ca -0.03 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 2crl s VAL 49 Cb -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2crl s VAL 49 CO -0.05 0.07 -0.12 -1.61 0.00 0.00 0.00 175.10 173.39 2crl s GLU 50 N 1.94 3.33 -0.14 2.72 0.41 -1.09 -4.99 118.70 120.88 2crl s GLU 50 Ca -0.05 -0.67 0.01 0.00 -0.41 0.00 0.00 54.97 53.85 2crl s GLU 50 Cb -0.10 -2.64 -0.00 0.00 -1.78 0.00 0.00 34.13 29.60 2crl s GLU 50 CO -0.11 0.26 -0.16 0.08 -0.49 0.00 0.00 175.26 174.84 2crl s VAL 51 N 0.23 2.67 -0.30 2.63 1.01 -1.26 0.49 120.40 125.87 2crl s VAL 51 Ca -0.08 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2crl s VAL 51 Cb -0.15 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.20 2crl s VAL 51 CO 0.05 0.52 0.03 -1.00 0.00 0.00 0.00 175.10 174.70 2crl s HIS 52 N 0.64 2.89 0.19 5.22 3.76 0.78 -4.97 115.29 123.80 2crl s HIS 52 Ca -0.09 -2.34 0.07 0.00 -0.15 0.00 0.00 55.06 52.55 2crl s HIS 52 Cb -0.16 -2.23 0.07 0.00 1.11 0.00 0.00 32.58 31.37 2crl s HIS 52 CO 0.03 -0.89 1.44 1.25 -0.85 0.00 0.00 174.74 175.72 2crl h LEU 53 N 7.82 0.08 -0.84 0.89 5.85 -1.94 0.57 115.31 127.74 2crl h LEU 53 Ca -0.11 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.67 2crl h LEU 53 Cb 1.03 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 2crl h LEU 53 CO 0.48 0.86 0.46 -0.33 -0.34 0.00 0.00 178.44 179.56 2crl h GLU 54 N 0.03 0.70 -0.20 1.25 4.39 -1.94 -1.93 114.58 116.89 2crl h GLU 54 Ca -0.02 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2crl h GLU 54 Cb 1.43 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 2crl h GLU 54 CO 0.11 0.46 -0.08 -0.25 -1.16 0.00 0.00 179.01 178.09 2crl n ASP 55 N -4.79 2.82 -4.50 1.42 8.00 -1.22 -4.96 116.55 113.31 2crl n ASP 55 Ca 0.15 -3.39 -0.42 0.00 0.71 0.00 0.00 54.79 51.85 2crl n ASP 55 Cb 0.34 -0.55 -0.08 0.00 -0.02 0.00 0.00 41.12 40.82 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 -0.99 -0.94 -4.11 -1.24 1.13 -0.67 -4.90 117.38 105.66 2crl n GLN 56 Ca 0.24 0.16 -0.29 0.00 -1.94 0.00 0.00 57.00 55.16 2crl n GLN 56 Cb 0.86 -4.67 -0.07 0.00 0.11 0.00 0.00 30.24 26.47 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 -7.23 2.66 -0.23 -1.09 -1.94 0.19 -2.44 119.30 109.22 2crl s MET 57 Ca 0.77 -0.83 -0.04 0.00 -1.71 0.00 0.00 55.69 53.88 2crl s MET 57 Cb -0.45 -2.58 0.09 0.00 2.01 0.00 0.00 34.83 33.91 2crl s MET 57 CO 1.02 0.53 0.19 0.08 -0.01 0.00 0.00 175.02 176.83 2crl s VAL 58 N -1.43 -0.24 0.45 -6.03 1.01 0.31 -0.16 120.40 114.31 2crl s VAL 58 Ca 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2crl s VAL 58 Cb -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2crl s VAL 58 CO 0.20 -0.36 0.72 -0.76 0.00 0.00 0.00 175.10 174.89 2crl s LEU 59 N 2.25 3.71 -0.27 3.92 1.02 0.18 0.27 118.68 129.75 2crl s LEU 59 Ca 0.07 0.71 -0.00 0.00 0.02 0.00 0.00 54.13 54.93 2crl s LEU 59 Cb -0.16 -3.63 0.15 0.00 0.02 0.00 0.00 46.19 42.58 2crl s LEU 59 CO -0.19 -0.55 0.42 -0.69 0.02 0.00 0.00 176.35 175.36 2crl s VAL 60 N -2.62 -0.67 -0.68 -1.59 1.01 -0.07 -2.66 120.40 113.11 2crl s VAL 60 Ca 0.46 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 2crl s VAL 60 Cb -0.10 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.40 2crl s VAL 60 CO 0.42 -0.18 1.17 -1.00 0.00 0.00 0.00 175.10 175.50 2crl s HIS 61 N 2.58 2.46 0.03 5.22 3.76 0.24 -2.50 115.29 127.09 2crl s HIS 61 Ca 0.12 -0.11 -0.06 0.00 -0.15 0.00 0.00 55.06 54.86 2crl s HIS 61 Cb -0.14 -4.49 -0.01 0.00 1.11 0.00 0.00 32.58 29.05 2crl s HIS 61 CO -0.23 -1.85 0.11 -0.08 -0.85 0.00 0.00 174.74 171.84 2crl s THR 62 N 5.09 0.12 -2.02 1.30 -1.32 -1.03 -0.47 115.64 117.32 2crl s THR 62 Ca 0.33 -1.01 0.07 0.00 -1.21 0.00 0.00 61.69 59.87 2crl s THR 62 Cb -0.10 -0.81 0.20 0.00 -1.51 0.00 0.00 72.50 70.27 2crl s THR 62 CO 0.16 -0.56 1.21 0.35 -2.21 0.00 0.00 174.62 173.57 2crl n THR 63 N 0.88 0.16 -3.84 5.08 -2.24 -1.25 -3.09 114.28 109.97 2crl n THR 63 Ca -0.20 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 2crl n THR 63 Cb 0.58 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.12 4.31 0.38 3.22 1.43 -1.26 -4.64 118.68 121.00 2crl s LEU 64 Ca 0.13 0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.28 2crl s LEU 64 Cb 0.07 -3.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.16 2crl s LEU 64 CO 0.10 0.06 1.20 -2.16 0.23 0.00 0.00 176.35 175.77 2crl s PRO 65 N -3.00 4.12 0.08 1.29 0.04 -1.26 -4.78 135.00 131.49 2crl s PRO 65 Ca 0.36 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 2crl s PRO 65 Cb -0.12 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2crl s PRO 65 CO 0.28 -0.28 0.97 -1.13 0.04 0.00 0.00 177.00 176.87 2crl n SER 66 N 0.25 -0.54 -0.26 6.66 3.41 -1.26 0.10 113.62 121.98 2crl n SER 66 Ca 0.03 1.09 0.07 0.00 -0.26 0.00 0.00 58.87 59.80 2crl n SER 66 Cb 0.45 -0.21 0.14 0.00 -0.26 0.00 0.00 64.21 64.34 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 -4.31 -0.06 0.35 4.33 10.64 -1.26 -0.23 117.38 126.84 2crl n GLN 67 Ca 0.01 1.13 -0.15 0.00 -1.83 0.00 0.00 57.00 56.16 2crl n GLN 67 Cb 0.13 -1.73 -0.07 0.00 -0.86 0.00 0.00 30.24 27.72 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 -0.90 -0.64 2.61 4.57 0.31 -2.93 114.58 117.60 2crl h GLU 68 Ca 0.38 0.06 0.13 0.00 -1.18 0.00 0.00 59.36 58.76 2crl h GLU 68 Cb 0.67 0.21 -0.11 0.00 -0.16 0.00 0.00 28.75 29.35 2crl h GLU 68 CO -0.74 -0.60 0.01 0.28 -1.18 0.00 0.00 179.01 176.79 2crl h VAL 69 N -0.94 0.48 -0.91 0.32 2.07 -0.36 -0.09 116.25 116.82 2crl h VAL 69 Ca -0.09 -0.04 0.26 0.00 0.82 0.00 0.00 66.70 67.64 2crl h VAL 69 Cb 0.73 0.34 -0.15 0.00 -1.52 0.00 0.00 31.29 30.70 2crl h VAL 69 CO 0.12 0.02 0.24 -0.61 0.02 0.00 0.00 177.57 177.37 2crl h GLN 70 N 0.13 0.16 -0.61 1.57 4.15 -0.50 0.47 115.11 120.48 2crl h GLN 70 Ca 0.33 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.71 2crl h GLN 70 Cb 0.55 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2crl h GLN 70 CO -0.54 0.11 0.26 0.00 -1.93 0.00 0.00 178.83 176.73 2crl h ALA 71 N 1.83 0.79 -0.79 3.38 0.00 -0.83 0.53 119.26 124.17 2crl h ALA 71 Ca 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2crl h ALA 71 Cb 1.24 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2crl h ALA 71 CO -0.70 0.39 0.36 -0.07 0.00 0.00 0.00 179.25 179.23 2crl h LEU 72 N 0.85 1.04 0.08 0.00 3.38 0.05 -2.33 115.31 118.38 2crl h LEU 72 Ca 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2crl h LEU 72 Cb 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2crl h LEU 72 CO -0.02 0.89 -0.04 -0.07 0.09 0.00 0.00 178.44 179.29 2crl h LEU 73 N 1.13 -0.09 -2.00 1.67 3.38 -0.78 -3.07 115.31 115.56 2crl h LEU 73 Ca 0.27 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2crl h LEU 73 Cb 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2crl h LEU 73 CO -0.03 0.46 0.36 -0.33 0.09 0.00 0.00 178.44 178.99 2crl h GLU 74 N -0.68 0.00 0.00 1.13 5.08 -0.83 0.17 114.58 119.45 2crl h GLU 74 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2crl h GLU 74 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2crl h GLU 74 CO 0.02 0.00 0.00 0.78 -1.00 0.00 0.00 179.01 178.81 2crl h GLY 75 N 0.00 0.00 -0.72 -3.84 0.00 -1.31 -1.19 103.07 96.00 2crl h GLY 75 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2crl h GLY 75 CO -0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 2crl n THR 76 N -2.53 0.27 0.00 4.70 -2.24 0.60 -4.87 114.28 110.20 2crl n THR 76 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2crl n THR 76 Cb 0.12 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.76 2.58 3.90 3.38 0.00 -0.45 -4.98 105.19 110.38 2crl n GLY 77 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2crl n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2crl s ARG 78 N -0.01 2.97 -0.01 1.61 0.52 -1.26 -5.05 118.95 117.72 2crl s ARG 78 Ca 0.00 0.22 -0.04 0.00 -0.52 0.00 0.00 55.73 55.39 2crl s ARG 78 Cb 0.00 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 2crl s ARG 78 CO 0.00 -0.79 0.20 -1.14 0.02 0.00 0.00 175.30 173.59 2crl s GLN 79 N -5.12 3.48 -0.16 3.54 0.74 -1.26 -4.21 119.66 116.67 2crl s GLN 79 Ca 0.55 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.73 2crl s GLN 79 Cb -0.11 -3.10 0.02 0.00 1.10 0.00 0.00 33.01 30.93 2crl s GLN 79 CO 0.48 0.67 -0.17 0.00 -0.55 0.00 0.00 175.29 175.73 2crl s ALA 80 N -1.30 2.05 -0.39 1.58 0.00 -1.26 -4.11 121.76 118.33 2crl s ALA 80 Ca 0.26 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 2crl s ALA 80 Cb -0.13 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.91 2crl s ALA 80 CO 0.17 -0.35 0.36 0.08 0.00 0.00 0.00 175.76 176.03 2crl s VAL 81 N 1.37 5.17 0.11 0.00 1.01 -0.94 -4.85 120.40 122.27 2crl s VAL 81 Ca 0.04 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 2crl s VAL 81 Cb -0.13 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 2crl s VAL 81 CO -0.11 -0.26 1.66 -0.22 0.00 0.00 0.00 175.10 176.17 2crl s LEU 82 N 1.95 4.37 -0.20 3.92 2.96 -1.26 -0.30 118.68 130.13 2crl s LEU 82 Ca 0.10 2.59 -0.07 0.00 -0.22 0.00 0.00 54.13 56.53 2crl s LEU 82 Cb -0.17 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.84 2crl s LEU 82 CO 0.12 -0.89 -0.23 0.29 -1.32 0.00 0.00 176.35 174.32 2crl n LYS 83 N 5.06 0.44 -3.67 1.98 4.76 0.82 -4.92 118.16 122.63 2crl n LYS 83 Ca 0.16 0.16 -0.16 0.00 -2.87 0.00 0.00 58.31 55.60 2crl n LYS 83 Cb 0.39 -1.26 -0.15 0.00 -1.84 0.00 0.00 35.03 32.17 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 -5.50 0.01 -0.16 0.72 0.00 -1.20 -5.01 107.32 96.17 2crl s GLY 84 Ca -0.27 0.66 -0.15 0.00 0.00 0.00 0.00 44.72 44.95 2crl s GLY 84 CO 0.38 1.75 0.32 1.98 0.00 0.00 0.00 173.10 177.52 2crl h MET 85 N 8.34 0.13 -0.13 2.90 4.05 -1.90 -2.05 114.93 126.28 2crl h MET 85 Ca -0.13 -0.23 -0.25 0.00 -0.28 0.00 0.00 59.70 58.81 2crl h MET 85 Cb 1.12 0.09 -0.17 0.00 -0.80 0.00 0.00 31.60 31.83 2crl h MET 85 CO 0.14 1.11 -0.47 0.41 0.23 0.00 0.00 176.91 178.33 2crl n GLY 86 N 1.69 1.06 2.97 1.39 0.00 -1.26 -4.54 105.19 106.50 2crl n GLY 86 Ca -0.31 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 2crl n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crl s SER 87 N -1.36 -0.03 0.00 1.61 0.15 -1.26 -5.10 113.70 107.71 2crl s SER 87 Ca 0.23 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2crl s SER 87 Cb 0.34 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2crl s SER 87 CO -0.06 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2crl n GLY 88 N 4.44 2.24 3.75 9.45 0.00 -1.26 -4.96 105.19 118.86 2crl n GLY 88 Ca -0.22 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.35 4.85 -0.67 1.61 0.74 -1.26 -4.96 119.66 119.61 2crl s GLN 89 Ca 0.00 1.50 -0.01 0.00 0.05 0.00 0.00 55.36 56.89 2crl s GLN 89 Cb 0.00 -3.27 0.44 0.00 1.10 0.00 0.00 33.01 31.28 2crl s GLN 89 CO 0.00 0.50 1.98 1.28 -0.55 0.00 0.00 175.29 178.51 2crl n LEU 90 N 1.46 7.51 -4.83 3.68 4.77 -1.26 -4.99 117.00 123.35 2crl n LEU 90 Ca -0.02 -4.40 -0.36 0.00 -0.03 0.00 0.00 56.01 51.20 2crl n LEU 90 Cb 0.47 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 2crl n LEU 90 CO 0.50 1.55 0.33 -1.58 -1.33 0.00 0.00 177.39 176.86 2crl s GLN 91 N -3.85 4.14 0.01 3.23 2.00 -1.26 -5.07 119.66 118.87 2crl s GLN 91 Ca 0.62 0.71 -0.14 0.00 -2.00 0.00 0.00 55.36 54.54 2crl s GLN 91 Cb 0.49 -2.94 -0.06 0.00 0.80 0.00 0.00 33.01 31.30 2crl s GLN 91 CO -0.06 0.46 0.41 0.54 -0.50 0.00 0.00 175.29 176.14 2crl s ASN 92 N -1.62 6.80 0.07 6.67 2.20 -1.26 -5.09 114.94 122.71 2crl s ASN 92 Ca 0.39 0.96 0.02 0.00 -0.94 0.00 0.00 52.86 53.30 2crl s ASN 92 Cb -0.16 -2.25 -0.03 0.00 -2.00 0.00 0.00 41.25 36.81 2crl s ASN 92 CO 0.20 0.31 -0.08 -0.44 -2.94 0.00 0.00 177.10 174.15 2crl s SER 93 N -1.15 1.03 0.00 3.54 0.01 -1.26 -5.12 113.70 110.74 2crl s SER 93 Ca 0.25 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2crl s SER 93 Cb -0.16 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2crl s SER 93 CO 0.14 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2crl n GLY 94 N 0.86 0.48 3.77 3.44 0.00 -1.26 -5.09 105.19 107.40 2crl n GLY 94 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 0.48 2.36 0.12 1.61 0.04 -1.26 -5.02 135.00 133.32 2crl s PRO 95 Ca 0.00 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.03 2crl s PRO 95 Cb 0.00 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 2crl s PRO 95 CO 0.00 -1.57 0.68 0.45 0.04 0.00 0.00 177.00 176.60 2crl s SER 96 N -3.23 7.24 0.24 6.66 0.15 -1.26 -5.06 113.70 118.44 2crl s SER 96 Ca 0.62 1.47 -0.22 0.00 0.70 0.00 0.00 55.95 58.52 2crl s SER 96 Cb -0.18 -2.44 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2crl s SER 96 CO 0.53 0.23 0.79 -0.44 1.20 0.00 0.00 173.24 175.56 2crl s SER 97 N -1.10 -0.24 0.00 5.45 0.01 -1.26 -5.32 113.70 111.24 2crl s SER 97 Ca 0.33 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2crl s SER 97 Cb -0.21 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2crl s SER 97 CO 0.23 -1.21 0.30 0.61 0.41 0.00 0.00 173.24 173.58