#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 0.16 -0.21 1.61 0.01 -1.26 -5.15 113.70 108.86 2crl s SER 2 Ca 0.00 -0.99 -0.04 0.00 1.31 0.00 0.00 55.95 56.23 2crl s SER 2 Cb 0.00 0.37 0.09 0.00 0.21 0.00 0.00 66.02 66.69 2crl s SER 2 CO 0.00 -0.81 0.21 -0.55 0.41 0.00 0.00 173.24 172.50 2crl s SER 3 N -2.99 1.53 0.38 2.44 0.15 -1.26 -5.15 113.70 108.79 2crl s SER 3 Ca 0.19 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.61 2crl s SER 3 Cb 0.05 0.31 -0.06 0.00 -1.71 0.00 0.00 66.02 64.61 2crl s SER 3 CO -0.00 -0.33 0.03 -0.83 1.20 0.00 0.00 173.24 173.30 2crl s GLY 4 N 2.30 2.28 0.04 9.45 0.00 -1.26 -5.15 107.32 114.99 2crl s GLY 4 Ca 0.07 -2.12 -0.28 0.00 0.00 0.00 0.00 44.72 42.38 2crl s GLY 4 CO -0.13 -1.99 1.04 -1.35 0.00 0.00 0.00 173.10 170.67 2crl s SER 5 N -3.74 -0.19 0.15 1.64 1.04 -1.26 -5.19 113.70 106.15 2crl s SER 5 Ca 0.36 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.62 2crl s SER 5 Cb 0.04 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2crl s SER 5 CO 0.19 -0.63 -0.07 -0.44 0.98 0.00 0.00 173.24 173.27 2crl s SER 6 N -2.76 1.55 0.23 7.02 0.01 -1.26 -5.17 113.70 113.33 2crl s SER 6 Ca 0.11 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.30 2crl s SER 6 Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2crl s SER 6 CO -0.03 -0.42 0.32 0.61 0.41 0.00 0.00 173.24 174.13 2crl n GLY 7 N -0.19 2.49 3.17 3.44 0.00 -1.26 -5.16 105.19 107.68 2crl n GLY 7 Ca -0.10 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.54 0.38 -0.21 1.61 1.00 -1.26 -5.13 119.30 113.15 2crl s MET 8 Ca 0.19 0.90 -0.04 0.00 0.00 0.00 0.00 55.69 56.75 2crl s MET 8 Cb -0.01 0.14 0.09 0.00 0.00 0.00 0.00 34.83 35.06 2crl s MET 8 CO 0.14 -0.42 0.21 0.00 0.00 0.00 0.00 175.02 174.95 2crl s ALA 9 N 2.64 -0.17 -0.22 3.03 0.00 -1.26 -5.11 121.76 120.67 2crl s ALA 9 Ca 0.05 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 2crl s ALA 9 Cb -0.13 -1.34 0.11 0.00 0.00 0.00 0.00 23.12 21.76 2crl s ALA 9 CO -0.15 -1.28 0.35 -1.54 0.00 0.00 0.00 175.76 173.14 2crl s SER 10 N 2.30 0.33 -0.34 0.00 1.04 -1.26 -5.11 113.70 110.66 2crl s SER 10 Ca 0.07 0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.85 2crl s SER 10 Cb -0.16 1.01 0.10 0.00 0.10 0.00 0.00 66.02 67.08 2crl s SER 10 CO -0.15 -0.29 0.07 -1.81 0.98 0.00 0.00 173.24 172.05 2crl s ASP 11 N 2.51 4.54 -0.10 7.02 1.01 -1.26 -5.09 116.67 125.31 2crl s ASP 11 Ca 0.08 -2.06 0.02 0.00 0.71 0.00 0.00 52.55 51.31 2crl s ASP 11 Cb -0.15 -1.42 0.01 0.00 1.01 0.00 0.00 42.92 42.38 2crl s ASP 11 CO -0.14 -0.38 -0.16 -0.44 0.21 0.00 0.00 175.17 174.26 2crl s SER 12 N 1.04 2.38 0.00 0.27 0.01 -1.26 -5.14 113.70 111.01 2crl s SER 12 Ca 0.11 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2crl s SER 12 Cb -0.19 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 64.97 2crl s SER 12 CO -0.12 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2crl n GLY 13 N 4.05 1.33 3.37 3.44 0.00 -1.26 -5.11 105.19 111.01 2crl n GLY 13 Ca -0.20 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 2crl n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2crl s ASN 14 N -1.00 3.68 -0.56 1.61 3.84 -1.26 -5.03 114.94 116.23 2crl s ASN 14 Ca 0.00 -0.35 0.02 0.00 0.21 0.00 0.00 52.86 52.74 2crl s ASN 14 Cb 0.00 -1.08 0.43 0.00 -0.55 0.00 0.00 41.25 40.05 2crl s ASN 14 CO 0.00 0.25 1.64 0.00 -2.79 0.00 0.00 177.10 176.21 2crl n GLN 15 N 2.91 3.09 -2.44 0.43 0.00 -1.26 -4.94 117.38 115.17 2crl n GLN 15 Ca -0.18 -3.79 -0.39 0.00 0.00 0.00 0.00 57.00 52.65 2crl n GLN 15 Cb 0.52 -2.28 -0.02 0.00 0.00 0.00 0.00 30.24 28.47 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 -2.47 1.24 -0.07 2.61 0.00 -1.26 -4.87 107.32 102.50 2crl s GLY 16 Ca 0.56 -2.71 -0.03 0.00 0.00 0.00 0.00 44.72 42.54 2crl s GLY 16 CO -0.11 2.95 0.13 -1.08 0.00 0.00 0.00 173.10 174.99 2crl s THR 17 N 6.08 -0.18 -0.22 0.90 -1.32 -1.26 -5.13 115.64 114.50 2crl s THR 17 Ca 0.58 0.33 -0.17 0.00 -1.21 0.00 0.00 61.69 61.22 2crl s THR 17 Cb 0.03 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.74 2crl s THR 17 CO 0.09 0.14 0.46 -0.22 -2.21 0.00 0.00 174.62 172.88 2crl s LEU 18 N 2.00 4.11 0.06 9.08 2.96 -1.26 -4.20 118.68 131.43 2crl s LEU 18 Ca 0.01 0.54 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 2crl s LEU 18 Cb -0.12 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.94 2crl s LEU 18 CO -0.05 -0.17 -0.09 0.00 -1.32 0.00 0.00 176.35 174.72 2crl s THR 20 N -1.74 5.06 -0.21 0.00 2.01 -1.26 -3.26 115.64 116.24 2crl s THR 20 Ca -0.04 1.10 -0.03 0.00 0.31 0.00 0.00 61.69 63.03 2crl s THR 20 Cb -0.07 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2crl s THR 20 CO 0.00 0.15 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.27 2crl s LEU 21 N 1.68 2.89 -0.38 4.42 1.43 -1.07 -4.02 118.68 123.63 2crl s LEU 21 Ca 0.27 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 2crl s LEU 21 Cb -0.16 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2crl s LEU 21 CO 0.10 0.01 0.25 -1.61 0.23 0.00 0.00 176.35 175.33 2crl s GLU 22 N 1.29 3.09 -0.17 1.70 2.02 -0.49 -1.01 118.70 125.13 2crl s GLU 22 Ca 0.03 -0.92 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 2crl s GLU 22 Cb -0.14 -3.84 -0.00 0.00 0.10 0.00 0.00 34.13 30.25 2crl s GLU 22 CO -0.02 -0.63 -0.14 -0.06 0.02 0.00 0.00 175.26 174.42 2crl s PHE 23 N 1.65 2.81 -0.71 1.61 0.08 0.11 -2.16 117.98 121.37 2crl s PHE 23 Ca 0.04 -1.09 -0.24 0.00 0.12 0.00 0.00 56.93 55.77 2crl s PHE 23 Cb -0.18 -1.92 0.06 0.00 -0.57 0.00 0.00 43.02 40.40 2crl s PHE 23 CO 0.09 -0.52 1.11 0.00 -0.10 0.00 0.00 175.22 175.81 2crl s ALA 24 N 0.95 2.96 -0.04 5.36 0.00 -0.07 0.12 121.76 131.04 2crl s ALA 24 Ca -0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 2crl s ALA 24 Cb -0.15 -4.05 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 2crl s ALA 24 CO -0.02 -3.02 0.17 0.08 0.00 0.00 0.00 175.76 172.97 2crl s VAL 25 N 4.73 5.43 -0.40 0.00 1.01 -0.90 -2.84 120.40 127.44 2crl s VAL 25 Ca 0.28 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 2crl s VAL 25 Cb -0.12 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2crl s VAL 25 CO 0.11 0.42 0.67 -1.58 0.00 0.00 0.00 175.10 174.72 2crl s GLN 26 N -1.65 3.52 0.30 2.72 0.74 -1.26 -4.42 119.66 119.61 2crl s GLN 26 Ca 0.23 -0.08 0.10 0.00 0.05 0.00 0.00 55.36 55.66 2crl s GLN 26 Cb -0.12 -3.87 -0.06 0.00 1.10 0.00 0.00 33.01 30.06 2crl s GLN 26 CO 0.14 -0.89 -0.15 -1.64 -0.55 0.00 0.00 175.29 172.21 2crl s MET 27 N 2.86 1.70 0.11 1.67 -1.94 -1.26 -4.89 119.30 117.54 2crl s MET 27 Ca 0.25 -1.82 0.00 0.00 -1.71 0.00 0.00 55.69 52.41 2crl s MET 27 Cb -0.14 -1.66 0.00 0.00 2.01 0.00 0.00 34.83 35.05 2crl s MET 27 CO 0.17 0.23 0.00 0.25 -0.01 0.00 0.00 175.02 175.66 2crl n THR 28 N -0.66 0.70 -4.39 2.05 -2.24 -1.26 -5.06 114.28 103.41 2crl n THR 28 Ca -0.05 0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.76 2crl n THR 28 Cb 0.62 -1.32 -0.10 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.49 -0.06 -0.00 0.00 -0.06 -1.26 -1.04 117.38 114.47 2crl n GLN 30 Ca -0.07 1.01 -0.00 0.00 -2.00 0.00 0.00 57.00 55.94 2crl n GLN 30 Cb 0.62 -1.51 -0.00 0.00 -4.06 0.00 0.00 30.24 25.29 2crl n GLN 30 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2crl n SER 31 N -5.04 -0.00 -0.32 1.69 2.88 -1.26 0.19 113.62 111.76 2crl n SER 31 Ca 0.11 0.65 0.29 0.00 -1.33 0.00 0.00 58.87 58.59 2crl n SER 31 Cb 0.34 -0.32 0.54 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.05 1.27 -0.61 0.00 2.07 0.21 -1.85 116.25 117.39 2crl h VAL 33 Ca 0.80 -1.79 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2crl h VAL 33 Cb 2.04 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 33.49 2crl h VAL 33 CO -0.76 0.58 0.40 0.44 0.02 0.00 0.00 177.57 178.25 2crl h ASP 34 N 0.64 0.52 0.13 0.57 3.32 0.53 -1.50 116.42 120.63 2crl h ASP 34 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 2crl h ASP 34 Cb 1.22 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 40.68 2crl h ASP 34 CO 0.13 0.34 -0.78 0.00 -1.72 0.00 0.00 179.24 177.21 2crl h ALA 35 N 1.67 -0.09 -0.57 3.45 0.00 -1.19 -2.77 119.26 119.76 2crl h ALA 35 Ca 0.26 -0.69 0.10 0.00 0.00 0.00 0.00 54.91 54.58 2crl h ALA 35 Cb 0.28 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2crl h ALA 35 CO -0.08 0.36 0.16 0.28 0.00 0.00 0.00 179.25 179.98 2crl h VAL 36 N -0.40 0.72 0.42 0.00 2.07 -0.92 0.37 116.25 118.50 2crl h VAL 36 Ca -0.14 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2crl h VAL 36 Cb 1.61 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2crl h VAL 36 CO 0.14 0.06 -0.20 0.03 0.02 0.00 0.00 177.57 177.62 2crl h ARG 37 N 0.31 -0.55 -0.70 1.57 3.08 -1.41 -3.08 114.38 113.61 2crl h ARG 37 Ca 0.29 0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.57 2crl h ARG 37 Cb 0.39 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2crl h ARG 37 CO -0.34 -0.24 0.50 -0.22 -1.07 0.00 0.00 179.97 178.60 2crl h LYS 38 N -0.98 0.05 -0.69 0.04 3.64 -1.28 1.98 116.57 119.34 2crl h LYS 38 Ca -0.06 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2crl h LYS 38 Cb 0.56 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2crl h LYS 38 CO 0.10 0.03 0.34 0.77 -2.27 0.00 0.00 179.45 178.42 2crl h SER 39 N 0.05 0.87 0.00 4.20 0.02 -0.18 -3.06 113.55 115.44 2crl h SER 39 Ca 0.33 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2crl h SER 39 Cb 1.26 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2crl h SER 39 CO -0.02 0.73 -0.10 0.18 -1.14 0.00 0.00 176.83 176.48 2crl n LEU 40 N -4.35 1.89 -4.62 5.07 4.77 0.33 -4.91 117.00 115.19 2crl n LEU 40 Ca 0.07 -2.68 -0.43 0.00 -0.03 0.00 0.00 56.01 52.93 2crl n LEU 40 Cb 0.12 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 2crl n LEU 40 CO 0.38 0.62 1.32 -1.58 -1.33 0.00 0.00 177.39 176.81 2crl s GLN 41 N -2.32 3.68 -1.76 3.23 0.74 0.65 -3.54 119.66 120.34 2crl s GLN 41 Ca 0.26 1.37 -0.19 0.00 0.05 0.00 0.00 55.36 56.84 2crl s GLN 41 Cb 0.23 -4.03 0.18 0.00 1.10 0.00 0.00 33.01 30.48 2crl s GLN 41 CO 0.02 -1.43 0.68 0.41 -0.55 0.00 0.00 175.29 174.42 2crl n GLY 42 N 4.83 -0.41 3.86 2.59 0.00 -1.26 -4.91 105.19 109.89 2crl n GLY 42 Ca 0.18 0.11 -0.35 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 -3.33 4.96 -0.28 1.61 1.01 -1.23 -4.99 120.40 118.15 2crl s VAL 43 Ca 0.73 0.65 -0.44 0.00 0.00 0.00 0.00 61.98 62.93 2crl s VAL 43 Cb -0.41 -3.69 -0.20 0.00 0.00 0.00 0.00 36.38 32.08 2crl s VAL 43 CO 0.97 0.25 1.41 0.00 0.00 0.00 0.00 175.10 177.73 2crl n ALA 44 N 0.81 -2.08 0.00 5.51 0.00 -1.26 -0.39 120.51 123.10 2crl n ALA 44 Ca -0.06 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2crl n ALA 44 Cb 0.52 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 3.06 2.92 3.74 0.00 0.00 -1.26 -5.02 105.19 108.63 2crl n GLY 45 Ca 0.26 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.20 3.80 -0.12 1.61 1.01 0.47 -3.39 120.40 123.58 2crl s VAL 46 Ca 0.00 1.53 0.13 0.00 0.00 0.00 0.00 61.98 63.64 2crl s VAL 46 Cb 0.00 -3.98 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 2crl s VAL 46 CO 0.00 0.25 0.08 0.00 0.00 0.00 0.00 175.10 175.44 2crl n GLN 47 N 2.49 1.53 -3.70 2.72 10.64 0.79 -4.33 117.38 127.53 2crl n GLN 47 Ca 0.03 -0.02 -0.08 0.00 -1.83 0.00 0.00 57.00 55.10 2crl n GLN 47 Cb 0.46 -1.36 -0.02 0.00 -0.86 0.00 0.00 30.24 28.46 2crl n GLN 47 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2crl s ASP 48 N -4.62 -0.34 -0.26 2.61 2.15 -0.98 -4.94 116.67 110.28 2crl s ASP 48 Ca -0.07 -0.37 -0.08 0.00 0.43 0.00 0.00 52.55 52.46 2crl s ASP 48 Cb 0.05 0.64 0.12 0.00 -0.30 0.00 0.00 42.92 43.43 2crl s ASP 48 CO 0.59 -1.13 0.55 -0.69 -0.17 0.00 0.00 175.17 174.32 2crl s VAL 49 N -3.73 -0.86 -0.22 1.11 1.01 -1.26 -0.94 120.40 115.50 2crl s VAL 49 Ca 0.08 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2crl s VAL 49 Cb -0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2crl s VAL 49 CO -0.00 0.02 0.03 -1.61 0.00 0.00 0.00 175.10 173.54 2crl s GLU 50 N 2.78 3.66 -0.14 2.72 0.41 -1.15 -4.98 118.70 122.00 2crl s GLU 50 Ca -0.02 -0.49 -0.05 0.00 -0.41 0.00 0.00 54.97 54.01 2crl s GLU 50 Cb -0.12 -3.19 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 2crl s GLU 50 CO -0.17 -0.05 0.03 0.08 -0.49 0.00 0.00 175.26 174.66 2crl s VAL 51 N 1.20 4.50 -0.27 2.63 1.01 -1.26 -0.02 120.40 128.19 2crl s VAL 51 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2crl s VAL 51 Cb -0.14 -2.97 0.07 0.00 0.00 0.00 0.00 36.38 33.34 2crl s VAL 51 CO 0.02 0.52 -0.01 -1.00 0.00 0.00 0.00 175.10 174.64 2crl s HIS 52 N -0.08 2.54 0.05 5.22 3.76 0.75 -4.97 115.29 122.56 2crl s HIS 52 Ca 0.05 -2.00 0.09 0.00 -0.15 0.00 0.00 55.06 53.05 2crl s HIS 52 Cb -0.12 -1.87 -0.14 0.00 1.11 0.00 0.00 32.58 31.56 2crl s HIS 52 CO 0.02 -0.83 1.32 1.25 -0.85 0.00 0.00 174.74 175.65 2crl h LEU 53 N 7.91 0.00 -0.59 0.89 5.85 -1.94 0.41 115.31 127.83 2crl h LEU 53 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2crl h LEU 53 Cb 1.05 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2crl h LEU 53 CO 0.44 0.87 0.37 -0.33 -0.34 0.00 0.00 178.44 179.45 2crl h GLU 54 N 0.00 0.79 -0.27 1.25 5.08 -1.94 -2.83 114.58 116.66 2crl h GLU 54 Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2crl h GLU 54 Cb 1.67 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2crl h GLU 54 CO 0.11 0.55 0.00 -0.25 -1.00 0.00 0.00 179.01 178.43 2crl n ASP 55 N -4.64 3.72 -4.48 1.42 8.00 -1.24 -4.96 116.55 114.37 2crl n ASP 55 Ca 0.04 -3.10 -0.41 0.00 0.71 0.00 0.00 54.79 52.03 2crl n ASP 55 Cb 0.04 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.51 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 -0.60 -1.04 -4.09 -1.24 1.13 -0.50 -4.91 117.38 106.14 2crl n GLN 56 Ca 0.23 0.16 -0.29 0.00 -1.94 0.00 0.00 57.00 55.16 2crl n GLN 56 Cb 0.91 -4.63 -0.07 0.00 0.11 0.00 0.00 30.24 26.57 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 -7.22 2.78 -0.19 -1.09 -1.94 0.13 -2.11 119.30 109.65 2crl s MET 57 Ca 0.73 -0.81 -0.05 0.00 -1.71 0.00 0.00 55.69 53.85 2crl s MET 57 Cb -0.42 -2.63 0.07 0.00 2.01 0.00 0.00 34.83 33.85 2crl s MET 57 CO 1.01 0.53 0.09 0.08 -0.01 0.00 0.00 175.02 176.72 2crl s VAL 58 N -1.51 -0.02 0.38 -6.03 1.01 0.33 -0.18 120.40 114.38 2crl s VAL 58 Ca 0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 2crl s VAL 58 Cb -0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2crl s VAL 58 CO 0.21 -0.36 0.64 -0.76 0.00 0.00 0.00 175.10 174.83 2crl s LEU 59 N 2.10 3.89 -0.27 3.92 1.02 0.96 0.05 118.68 130.35 2crl s LEU 59 Ca 0.03 0.68 -0.00 0.00 0.02 0.00 0.00 54.13 54.86 2crl s LEU 59 Cb -0.16 -3.57 0.15 0.00 0.02 0.00 0.00 46.19 42.63 2crl s LEU 59 CO -0.14 -0.37 0.42 -0.69 0.02 0.00 0.00 176.35 175.58 2crl s VAL 60 N -2.42 -0.67 -0.69 -1.59 1.01 -0.18 -2.95 120.40 112.92 2crl s VAL 60 Ca 0.44 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 62.02 2crl s VAL 60 Cb -0.10 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.43 2crl s VAL 60 CO 0.38 -0.18 1.01 -1.00 0.00 0.00 0.00 175.10 175.30 2crl s HIS 61 N 2.58 2.67 0.10 5.22 3.76 -0.12 -2.60 115.29 126.90 2crl s HIS 61 Ca 0.12 -0.57 -0.05 0.00 -0.15 0.00 0.00 55.06 54.41 2crl s HIS 61 Cb -0.14 -4.33 -0.02 0.00 1.11 0.00 0.00 32.58 29.21 2crl s HIS 61 CO -0.23 -1.68 0.12 -0.08 -0.85 0.00 0.00 174.74 172.02 2crl s THR 62 N 4.12 0.14 -2.18 1.30 -1.32 -1.20 -0.15 115.64 116.35 2crl s THR 62 Ca 0.24 -1.54 0.19 0.00 -1.21 0.00 0.00 61.69 59.37 2crl s THR 62 Cb -0.15 -1.61 0.45 0.00 -1.51 0.00 0.00 72.50 69.67 2crl s THR 62 CO 0.09 -0.66 1.54 0.35 -2.21 0.00 0.00 174.62 173.74 2crl n THR 63 N -0.04 0.18 -3.29 5.08 -2.24 -1.22 -2.49 114.28 110.26 2crl n THR 63 Ca -0.12 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.09 2crl n THR 63 Cb 0.62 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.51 4.07 0.31 3.22 1.43 -1.26 -4.42 118.68 120.52 2crl s LEU 64 Ca 0.30 0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 53.99 2crl s LEU 64 Cb 0.15 -3.69 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 2crl s LEU 64 CO 0.24 -0.17 1.23 -2.16 0.23 0.00 0.00 176.35 175.71 2crl s PRO 65 N -3.26 4.46 0.06 1.29 0.04 -1.26 -4.80 135.00 131.53 2crl s PRO 65 Ca 0.47 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 2crl s PRO 65 Cb -0.11 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2crl s PRO 65 CO 0.26 -0.04 0.89 -1.13 0.04 0.00 0.00 177.00 177.02 2crl n SER 66 N 0.94 -0.39 -0.25 6.66 3.41 -1.26 0.12 113.62 122.84 2crl n SER 66 Ca -0.00 0.98 0.11 0.00 -0.26 0.00 0.00 58.87 59.69 2crl n SER 66 Cb 0.43 -0.25 0.21 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 -3.86 -0.06 0.47 4.33 10.64 -1.26 0.06 117.38 127.70 2crl n GLN 67 Ca 0.01 1.10 -0.18 0.00 -1.83 0.00 0.00 57.00 56.09 2crl n GLN 67 Cb 0.10 -1.74 -0.09 0.00 -0.86 0.00 0.00 30.24 27.65 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 -1.14 -0.60 2.61 4.57 0.53 -2.80 114.58 117.75 2crl h GLU 68 Ca 0.44 0.08 0.11 0.00 -1.18 0.00 0.00 59.36 58.81 2crl h GLU 68 Cb 0.90 0.26 -0.09 0.00 -0.16 0.00 0.00 28.75 29.66 2crl h GLU 68 CO -0.69 -0.76 0.11 0.28 -1.18 0.00 0.00 179.01 176.77 2crl h VAL 69 N -1.20 0.62 -0.99 0.32 2.07 -0.05 -0.26 116.25 116.77 2crl h VAL 69 Ca -0.12 -0.08 0.26 0.00 0.82 0.00 0.00 66.70 67.57 2crl h VAL 69 Cb 0.91 0.37 -0.13 0.00 -1.52 0.00 0.00 31.29 30.91 2crl h VAL 69 CO 0.20 0.04 0.56 -0.61 0.02 0.00 0.00 177.57 177.78 2crl h GLN 70 N 0.24 0.49 -0.57 1.57 4.15 -0.55 0.26 115.11 120.70 2crl h GLN 70 Ca 0.31 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.64 2crl h GLN 70 Cb 0.47 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 2crl h GLN 70 CO -0.41 0.32 0.11 0.00 -1.93 0.00 0.00 178.83 176.92 2crl h ALA 71 N 1.75 0.76 -0.07 3.38 0.00 -0.77 -1.57 119.26 122.74 2crl h ALA 71 Ca 0.65 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 2crl h ALA 71 Cb 1.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2crl h ALA 71 CO -0.51 0.49 -0.13 -0.07 0.00 0.00 0.00 179.25 179.03 2crl h LEU 72 N 0.83 0.10 -0.07 0.00 3.38 -0.32 -2.14 115.31 117.10 2crl h LEU 72 Ca 0.18 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 2crl h LEU 72 Cb 0.38 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2crl h LEU 72 CO 0.01 0.24 -1.05 -0.07 0.09 0.00 0.00 178.44 177.66 2crl h LEU 73 N 0.10 0.57 -1.47 1.67 3.38 -0.90 -3.17 115.31 115.49 2crl h LEU 73 Ca 0.02 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2crl h LEU 73 Cb 0.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2crl h LEU 73 CO 0.02 1.31 -0.08 -0.33 0.09 0.00 0.00 178.44 179.45 2crl h GLU 74 N 0.21 0.00 0.00 1.13 5.08 -0.82 -2.86 114.58 117.33 2crl h GLU 74 Ca -0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2crl h GLU 74 Cb 1.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2crl h GLU 74 CO 0.18 0.08 -0.17 0.78 -1.00 0.00 0.00 179.01 178.88 2crl h GLY 75 N 1.83 0.00 2.00 -3.84 0.00 -1.37 -1.77 103.07 99.92 2crl h GLY 75 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2crl h GLY 75 CO 0.01 0.00 -0.05 -0.91 0.00 0.00 0.00 176.54 175.59 2crl h THR 76 N 0.00 0.19 0.00 4.70 1.35 -1.65 -3.46 112.91 114.04 2crl h THR 76 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2crl h THR 76 Cb 0.31 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2crl h THR 76 CO 0.02 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2crl n GLY 77 N -0.38 0.77 3.98 5.82 0.00 -0.66 -5.09 105.19 109.62 2crl n GLY 77 Ca -0.01 0.00 -0.22 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 -0.56 2.33 -0.37 1.61 3.00 -1.26 -5.07 118.95 118.62 2crl s ARG 78 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 55.73 54.74 2crl s ARG 78 Cb 0.00 -2.45 0.03 0.00 0.00 0.00 0.00 34.95 32.53 2crl s ARG 78 CO 0.00 -0.90 0.20 -1.14 0.00 0.00 0.00 175.30 173.47 2crl s GLN 79 N -4.85 2.83 -0.33 3.54 0.74 -1.26 -4.39 119.66 115.93 2crl s GLN 79 Ca 0.60 -1.08 -0.15 0.00 0.05 0.00 0.00 55.36 54.78 2crl s GLN 79 Cb -0.09 -3.72 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 2crl s GLN 79 CO 0.40 -0.70 0.37 0.00 -0.55 0.00 0.00 175.29 174.81 2crl s ALA 80 N 1.55 3.51 -0.24 1.58 0.00 -1.26 -4.21 121.76 122.68 2crl s ALA 80 Ca 0.02 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 2crl s ALA 80 Cb -0.19 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2crl s ALA 80 CO 0.07 -1.01 0.11 0.08 0.00 0.00 0.00 175.76 175.01 2crl s VAL 81 N 2.04 4.76 -0.10 0.00 1.01 -1.13 -4.91 120.40 122.08 2crl s VAL 81 Ca 0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2crl s VAL 81 Cb -0.16 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2crl s VAL 81 CO 0.12 0.34 1.37 -0.22 0.00 0.00 0.00 175.10 176.71 2crl s LEU 82 N 1.39 4.25 -0.26 3.92 2.96 -1.26 -0.89 118.68 128.78 2crl s LEU 82 Ca 0.06 1.91 -0.01 0.00 -0.22 0.00 0.00 54.13 55.87 2crl s LEU 82 Cb -0.15 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.84 2crl s LEU 82 CO 0.05 -0.77 -0.24 0.29 -1.32 0.00 0.00 176.35 174.36 2crl n LYS 83 N 6.36 0.64 0.00 1.98 4.76 -0.92 -4.97 118.16 126.01 2crl n LYS 83 Ca 0.14 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 2crl n LYS 83 Cb 0.44 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 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 2.09 0.68 2.20 0.72 0.00 -1.23 -5.03 105.19 104.61 2crl n GLY 84 Ca -0.47 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 2crl n GLY 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2crl n MET 85 N -0.09 3.22 0.00 1.61 2.81 -1.26 -1.40 117.12 122.01 2crl n MET 85 Ca 0.00 -3.83 0.00 0.00 -1.81 0.00 0.00 57.70 52.06 2crl n MET 85 Cb 0.00 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.23 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 -0.77 0.02 2.76 3.03 0.00 -1.26 -4.53 105.19 104.45 2crl n GLY 86 Ca 0.51 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.84 0.00 1.61 0.01 -1.26 -5.15 113.70 109.75 2crl s SER 87 Ca 0.00 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2crl s SER 87 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2crl s SER 87 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2crl n GLY 88 N 4.68 1.07 2.74 3.44 0.00 -1.26 -5.02 105.19 110.84 2crl n GLY 88 Ca -0.16 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 43.98 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 1.55 -0.03 -0.06 1.61 2.00 -1.26 -5.14 119.66 118.34 2crl s GLN 89 Ca 0.00 0.45 0.02 0.00 -2.00 0.00 0.00 55.36 53.83 2crl s GLN 89 Cb 0.00 -0.43 0.02 0.00 0.80 0.00 0.00 33.01 33.40 2crl s GLN 89 CO 0.00 -0.33 -0.09 -1.17 -0.50 0.00 0.00 175.29 173.20 2crl s LEU 90 N 2.22 1.50 0.02 3.68 2.96 -1.26 -5.12 118.68 122.68 2crl s LEU 90 Ca 0.04 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.42 2crl s LEU 90 Cb -0.12 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2crl s LEU 90 CO -0.04 -0.01 1.08 0.00 -1.32 0.00 0.00 176.35 176.06 2crl s GLN 91 N 0.81 4.49 0.28 1.98 1.03 -1.26 -5.02 119.66 121.97 2crl s GLN 91 Ca -0.12 1.58 -0.14 0.00 0.04 0.00 0.00 55.36 56.72 2crl s GLN 91 Cb -0.15 -3.42 0.01 0.00 0.03 0.00 0.00 33.01 29.48 2crl s GLN 91 CO 0.02 -0.17 0.56 0.54 -2.54 0.00 0.00 175.29 173.70 2crl s ASN 92 N 1.06 -0.03 0.00 12.60 4.22 -1.26 -5.08 114.94 126.45 2crl s ASN 92 Ca 0.55 -0.93 0.00 0.00 -2.14 0.00 0.00 52.86 50.34 2crl s ASN 92 Cb -0.25 0.65 0.00 0.00 1.28 0.00 0.00 41.25 42.93 2crl s ASN 92 CO 0.28 -1.25 0.00 -1.54 -2.04 0.00 0.00 177.10 172.55 2crl n SER 93 N -0.58 2.12 0.00 3.54 3.41 -1.26 -5.16 113.62 115.69 2crl n SER 93 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2crl n SER 93 Cb 0.61 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 2.49 2.58 3.59 5.00 0.00 -1.26 -5.09 105.19 112.49 2crl n GLY 94 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.57 -1.32 0.25 1.61 0.04 -1.26 -5.10 135.00 124.65 2crl s PRO 95 Ca 0.00 -0.10 -0.18 0.00 0.04 0.00 0.00 61.00 60.76 2crl s PRO 95 Cb 0.00 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 32.97 2crl s PRO 95 CO 0.00 -3.77 0.62 0.45 0.04 0.00 0.00 177.00 174.33 2crl s SER 96 N -3.92 -0.24 -1.53 6.66 0.15 -1.26 -4.94 113.70 108.63 2crl s SER 96 Ca 0.71 -0.63 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 2crl s SER 96 Cb -0.09 0.66 0.15 0.00 -1.71 0.00 0.00 66.02 65.02 2crl s SER 96 CO 0.56 -1.22 0.36 -1.20 1.20 0.00 0.00 173.24 172.94 2crl n SER 97 N -0.41 -0.87 -0.07 5.45 7.64 -1.26 -5.35 113.62 118.75 2crl n SER 97 Ca -0.05 -1.08 0.01 0.00 1.01 0.00 0.00 58.87 58.76 2crl n SER 97 Cb 0.61 -1.37 0.01 0.00 -1.01 0.00 0.00 64.21 62.45 2crl n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64