#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 6.84 -0.26 1.61 0.15 -1.26 -4.99 113.70 115.80 2crl s SER 2 Ca 0.00 1.00 -0.04 0.00 0.70 0.00 0.00 55.95 57.61 2crl s SER 2 Cb 0.00 -2.28 -0.14 0.00 -1.71 0.00 0.00 66.02 61.88 2crl s SER 2 CO 0.00 0.25 -0.27 -0.24 1.20 0.00 0.00 173.24 174.18 2crl n SER 3 N 2.18 1.99 0.00 5.45 2.88 -1.26 -5.13 113.62 119.73 2crl n SER 3 Ca -0.12 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2crl n SER 3 Cb 0.52 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2crl n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crl n GLY 4 N 1.92 2.33 3.62 0.46 0.00 -1.26 -5.16 105.19 107.10 2crl n GLY 4 Ca -0.47 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.40 2crl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crl s SER 5 N 0.00 -0.30 0.13 1.61 1.04 -1.26 -5.19 113.70 109.74 2crl s SER 5 Ca 0.00 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.13 2crl s SER 5 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2crl s SER 5 CO 0.00 -0.79 0.29 -0.94 0.98 0.00 0.00 173.24 172.78 2crl s SER 6 N -2.71 0.01 0.00 7.02 1.04 -1.26 -5.18 113.70 112.61 2crl s SER 6 Ca 0.08 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2crl s SER 6 Cb -0.01 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2crl s SER 6 CO -0.04 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2crl n GLY 7 N -0.17 5.88 3.63 7.32 0.00 -1.26 -5.19 105.19 115.41 2crl n GLY 7 Ca -0.12 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 0.58 1.69 0.08 1.61 0.00 -1.26 -5.19 119.30 116.82 2crl s MET 8 Ca 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 55.69 54.24 2crl s MET 8 Cb 0.00 0.50 0.03 0.00 0.00 0.00 0.00 34.83 35.36 2crl s MET 8 CO 0.00 -0.73 0.35 0.00 0.00 0.00 0.00 175.02 174.64 2crl s ALA 9 N -3.71 -0.78 -0.12 3.16 0.00 -1.26 -5.18 121.76 113.87 2crl s ALA 9 Ca 0.21 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2crl s ALA 9 Cb -0.02 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.64 2crl s ALA 9 CO 0.11 -0.52 0.44 0.45 0.00 0.00 0.00 175.76 176.23 2crl s SER 10 N -2.45 -0.43 -0.16 0.00 0.15 -1.26 -5.17 113.70 104.38 2crl s SER 10 Ca -0.01 0.71 -0.26 0.00 0.70 0.00 0.00 55.95 57.09 2crl s SER 10 Cb 0.01 0.75 0.07 0.00 -1.71 0.00 0.00 66.02 65.14 2crl s SER 10 CO -0.08 -0.26 0.66 1.51 1.20 0.00 0.00 173.24 176.27 2crl s ASP 11 N -0.25 -0.66 -0.02 5.45 1.47 -1.26 -5.17 116.67 116.23 2crl s ASP 11 Ca -0.04 1.05 0.03 0.00 1.18 0.00 0.00 52.55 54.77 2crl s ASP 11 Cb -0.03 1.00 -0.00 0.00 -0.34 0.00 0.00 42.92 43.55 2crl s ASP 11 CO 0.02 -0.39 -0.11 -0.55 0.68 0.00 0.00 175.17 174.82 2crl s SER 12 N -0.33 1.45 -0.37 2.11 0.15 -1.26 -5.12 113.70 110.33 2crl s SER 12 Ca -0.05 -0.23 -0.08 0.00 0.70 0.00 0.00 55.95 56.29 2crl s SER 12 Cb -0.03 -0.32 0.05 0.00 -1.71 0.00 0.00 66.02 64.01 2crl s SER 12 CO 0.05 0.11 0.17 -0.83 1.20 0.00 0.00 173.24 173.94 2crl s GLY 13 N 0.02 1.90 0.12 9.45 0.00 -1.26 -5.06 107.32 112.49 2crl s GLY 13 Ca -0.01 -1.89 -0.35 0.00 0.00 0.00 0.00 44.72 42.47 2crl s GLY 13 CO 0.00 0.85 1.52 -2.01 0.00 0.00 0.00 173.10 173.47 2crl n ASN 14 N 4.87 2.66 -3.64 1.64 2.85 -1.26 -4.96 115.26 117.42 2crl n ASN 14 Ca -0.11 1.09 -0.03 0.00 -0.11 0.00 0.00 54.58 55.42 2crl n ASN 14 Cb 0.44 -1.35 -0.07 0.00 1.24 0.00 0.00 39.78 40.05 2crl n ASN 14 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2crl s GLN 15 N 0.99 0.32 0.00 1.20 2.00 -1.26 -5.18 119.66 117.73 2crl s GLN 15 Ca 0.82 0.50 0.00 0.00 -2.00 0.00 0.00 55.36 54.67 2crl s GLN 15 Cb -0.77 0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.13 2crl s GLN 15 CO 0.42 -0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.56 2crl n GLY 16 N 3.15 3.53 3.30 2.59 0.00 -1.26 -5.15 105.19 111.35 2crl n GLY 16 Ca -0.17 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 -0.01 0.04 2.61 -1.32 -1.26 -5.11 115.64 108.59 2crl s THR 17 Ca 0.00 0.04 -0.32 0.00 -1.21 0.00 0.00 61.69 60.20 2crl s THR 17 Cb 0.00 -0.60 -0.11 0.00 -1.51 0.00 0.00 72.50 70.28 2crl s THR 17 CO 0.00 0.01 1.87 -0.11 -2.21 0.00 0.00 174.62 174.19 2crl n LEU 18 N 3.41 3.83 -4.04 9.08 7.94 -1.26 -4.42 117.00 131.54 2crl n LEU 18 Ca -0.17 0.97 -0.21 0.00 -1.11 0.00 0.00 56.01 55.49 2crl n LEU 18 Cb 0.56 -1.48 -0.15 0.00 0.53 0.00 0.00 43.42 42.88 2crl n LEU 18 CO 0.11 0.08 -0.45 0.00 -1.11 0.00 0.00 177.39 176.02 2crl s THR 20 N -0.06 4.92 -0.30 0.00 2.01 -1.26 -3.12 115.64 117.83 2crl s THR 20 Ca 0.01 1.61 -0.05 0.00 0.31 0.00 0.00 61.69 63.57 2crl s THR 20 Cb -0.06 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.35 2crl s THR 20 CO 0.00 0.09 0.05 -0.76 -0.69 0.00 0.00 174.62 173.31 2crl s LEU 21 N 1.76 3.90 -0.61 4.42 2.01 -1.20 -0.14 118.68 128.81 2crl s LEU 21 Ca 0.39 -0.98 -0.28 0.00 0.01 0.00 0.00 54.13 53.26 2crl s LEU 21 Cb -0.17 -1.81 0.03 0.00 0.01 0.00 0.00 46.19 44.25 2crl s LEU 21 CO 0.15 -0.24 1.22 -1.61 1.01 0.00 0.00 176.35 176.88 2crl s GLU 22 N 1.39 3.44 -0.26 1.70 2.02 0.31 -3.08 118.70 124.22 2crl s GLU 22 Ca -0.01 0.16 -0.03 0.00 0.02 0.00 0.00 54.97 55.11 2crl s GLU 22 Cb -0.18 -4.05 0.02 0.00 0.10 0.00 0.00 34.13 30.01 2crl s GLU 22 CO 0.01 -1.79 -0.01 -0.06 0.02 0.00 0.00 175.26 173.42 2crl s PHE 23 N 5.19 3.09 -0.79 1.61 0.08 -0.33 -0.33 117.98 126.50 2crl s PHE 23 Ca 0.42 -1.33 -0.26 0.00 0.12 0.00 0.00 56.93 55.88 2crl s PHE 23 Cb -0.08 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2crl s PHE 23 CO 0.23 -0.67 1.47 0.00 -0.10 0.00 0.00 175.22 176.15 2crl s ALA 24 N 1.39 2.56 -0.16 5.36 0.00 0.80 -0.98 121.76 130.73 2crl s ALA 24 Ca 0.01 -1.44 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 2crl s ALA 24 Cb -0.17 -4.35 -0.05 0.00 0.00 0.00 0.00 23.12 18.56 2crl s ALA 24 CO -0.02 -3.58 0.24 0.08 0.00 0.00 0.00 175.76 172.49 2crl s VAL 25 N 6.48 5.34 -0.54 0.00 1.01 -1.15 -3.11 120.40 128.43 2crl s VAL 25 Ca 0.46 0.44 -0.28 0.00 0.00 0.00 0.00 61.98 62.59 2crl s VAL 25 Cb -0.07 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.76 2crl s VAL 25 CO 0.10 0.43 1.21 -1.58 0.00 0.00 0.00 175.10 175.25 2crl s GLN 26 N 0.28 3.56 0.35 2.72 2.00 -1.26 -4.47 119.66 122.83 2crl s GLN 26 Ca 0.14 0.39 0.07 0.00 -2.00 0.00 0.00 55.36 53.96 2crl s GLN 26 Cb -0.12 -3.99 -0.01 0.00 0.80 0.00 0.00 33.01 29.68 2crl s GLN 26 CO 0.03 -1.61 0.47 -1.64 -0.50 0.00 0.00 175.29 172.04 2crl s MET 27 N 4.86 3.06 0.00 1.67 -1.94 -1.26 -4.97 119.30 120.72 2crl s MET 27 Ca 0.46 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 2crl s MET 27 Cb -0.08 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 33.97 2crl s MET 27 CO 0.28 0.02 0.00 0.25 -0.01 0.00 0.00 175.02 175.56 2crl n THR 28 N -1.65 0.00 -3.98 2.05 -2.24 -1.26 -5.11 114.28 102.09 2crl n THR 28 Ca 0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2crl n THR 28 Cb 0.58 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.15 -0.24 0.00 5.75 -2.00 -2.16 115.11 118.43 2crl h GLN 30 Ca -0.28 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.25 2crl h GLN 30 Cb 1.25 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.80 2crl h GLN 30 CO 0.38 -0.10 -0.14 0.45 -2.65 0.00 0.00 178.83 176.77 2crl n SER 31 N -5.41 -0.25 -0.33 -0.69 2.88 -1.26 0.92 113.62 109.48 2crl n SER 31 Ca 0.04 0.90 0.08 0.00 -1.33 0.00 0.00 58.87 58.56 2crl n SER 31 Cb 0.35 -0.29 0.18 0.00 -0.75 0.00 0.00 64.21 63.70 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 1.17 -0.33 0.00 2.07 0.57 -1.39 116.25 118.34 2crl h VAL 33 Ca 0.49 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 2crl h VAL 33 Cb 0.85 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2crl h VAL 33 CO -0.93 0.17 0.10 -0.78 0.02 0.00 0.00 177.57 176.16 2crl h ASP 34 N 0.95 0.49 -0.19 0.57 1.82 0.36 -2.12 116.42 118.30 2crl h ASP 34 Ca 0.27 -0.21 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 2crl h ASP 34 Cb -0.07 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.79 2crl h ASP 34 CO -0.06 0.57 -0.07 0.00 -1.61 0.00 0.00 179.24 178.06 2crl h ALA 35 N 0.94 1.28 -0.30 -0.78 0.00 -0.81 0.02 119.26 119.61 2crl h ALA 35 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2crl h ALA 35 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2crl h ALA 35 CO -0.00 0.48 0.07 0.28 0.00 0.00 0.00 179.25 180.08 2crl h VAL 36 N 0.49 1.22 -0.09 0.00 2.07 -1.01 0.30 116.25 119.23 2crl h VAL 36 Ca 0.10 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2crl h VAL 36 Cb 0.44 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2crl h VAL 36 CO 0.02 0.24 -0.16 0.03 0.02 0.00 0.00 177.57 177.72 2crl h ARG 37 N 0.31 0.27 -0.36 1.57 3.08 -1.21 -3.16 114.38 114.88 2crl h ARG 37 Ca 0.09 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2crl h ARG 37 Cb 0.30 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2crl h ARG 37 CO 0.00 0.75 0.17 -0.22 -1.07 0.00 0.00 179.97 179.60 2crl h LYS 38 N -0.18 0.53 0.00 0.04 3.11 -0.99 1.24 116.57 120.32 2crl h LYS 38 Ca 0.01 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2crl h LYS 38 Cb 0.74 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 2crl h LYS 38 CO 0.04 0.48 0.23 0.66 -2.81 0.00 0.00 179.45 178.05 2crl h SER 39 N 0.45 0.00 0.00 4.20 4.64 -0.44 -0.75 113.55 121.65 2crl h SER 39 Ca 0.12 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 2crl h SER 39 Cb 0.14 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.12 2crl h SER 39 CO -0.01 0.00 -0.56 0.18 -0.87 0.00 0.00 176.83 175.56 2crl n LEU 40 N -2.91 0.97 -4.60 5.97 4.77 -0.72 -4.94 117.00 115.54 2crl n LEU 40 Ca -0.02 -1.94 -0.42 0.00 -0.03 0.00 0.00 56.01 53.59 2crl n LEU 40 Cb 0.28 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2crl n LEU 40 CO 0.15 0.52 0.65 -1.58 -1.33 0.00 0.00 177.39 175.80 2crl s GLN 41 N -0.84 3.81 -1.45 3.23 2.00 0.42 -4.13 119.66 122.70 2crl s GLN 41 Ca 0.19 0.45 -0.05 0.00 -2.00 0.00 0.00 55.36 53.95 2crl s GLN 41 Cb 0.19 -3.80 0.04 0.00 0.80 0.00 0.00 33.01 30.25 2crl s GLN 41 CO -0.05 -0.86 0.65 0.41 -0.50 0.00 0.00 175.29 174.93 2crl n GLY 42 N 4.42 -0.32 3.88 2.59 0.00 -1.26 -4.95 105.19 109.55 2crl n GLY 42 Ca 0.05 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.67 5.42 0.05 1.61 1.01 -1.26 -5.03 120.40 118.53 2crl s VAL 43 Ca 0.23 0.21 -0.38 0.00 0.00 0.00 0.00 61.98 62.05 2crl s VAL 43 Cb -0.12 -3.48 -0.18 0.00 0.00 0.00 0.00 36.38 32.59 2crl s VAL 43 CO 0.86 0.53 1.14 0.00 0.00 0.00 0.00 175.10 177.64 2crl n ALA 44 N 1.67 -2.51 0.00 5.51 0.00 -1.26 -1.00 120.51 122.92 2crl n ALA 44 Ca -0.17 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2crl n ALA 44 Cb 0.54 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.90 2.36 3.78 0.00 0.00 -1.26 -5.00 105.19 106.97 2crl n GLY 45 Ca 0.19 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 3.29 -0.03 1.61 1.01 -0.17 -3.82 120.40 122.28 2crl s VAL 46 Ca 0.00 0.93 0.03 0.00 0.00 0.00 0.00 61.98 62.93 2crl s VAL 46 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2crl s VAL 46 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.05 2crl n GLN 47 N -0.59 2.93 -3.80 2.72 -0.00 0.15 -4.48 117.38 114.30 2crl n GLN 47 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 56.99 2crl n GLN 47 Cb 0.49 -1.09 -0.05 0.00 -0.00 0.00 0.00 30.24 29.60 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 -3.57 -0.18 -0.28 2.61 2.15 -0.98 -4.94 116.67 111.49 2crl s ASP 48 Ca -0.02 -0.59 -0.03 0.00 0.43 0.00 0.00 52.55 52.34 2crl s ASP 48 Cb 0.01 0.55 0.16 0.00 -0.30 0.00 0.00 42.92 43.34 2crl s ASP 48 CO 0.13 -1.03 0.53 0.54 -0.17 0.00 0.00 175.17 175.17 2crl s VAL 49 N -3.90 -0.86 -0.25 1.11 0.11 -1.26 -1.20 120.40 114.15 2crl s VAL 49 Ca 0.12 -0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.07 2crl s VAL 49 Cb -0.00 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2crl s VAL 49 CO -0.01 -0.03 0.12 -1.61 -3.33 0.00 0.00 175.10 170.24 2crl s GLU 50 N 2.76 3.83 -0.39 1.54 0.41 0.79 -4.95 118.70 122.68 2crl s GLU 50 Ca 0.14 -0.39 -0.10 0.00 -0.41 0.00 0.00 54.97 54.21 2crl s GLU 50 Cb -0.15 -3.45 0.05 0.00 -1.78 0.00 0.00 34.13 28.80 2crl s GLU 50 CO -0.19 -0.12 0.23 0.54 -0.49 0.00 0.00 175.26 175.23 2crl s VAL 51 N 1.51 4.37 -0.54 2.63 0.11 -1.26 -0.19 120.40 127.02 2crl s VAL 51 Ca 0.06 -1.13 -0.15 0.00 -2.93 0.00 0.00 61.98 57.83 2crl s VAL 51 Cb -0.15 -3.55 0.13 0.00 -1.53 0.00 0.00 36.38 31.28 2crl s VAL 51 CO 0.06 -0.36 0.49 -1.00 -3.33 0.00 0.00 175.10 170.96 2crl s HIS 52 N 1.49 3.30 0.22 1.54 3.76 0.13 -4.91 115.29 120.82 2crl s HIS 52 Ca 0.02 -1.41 0.03 0.00 -0.15 0.00 0.00 55.06 53.55 2crl s HIS 52 Cb -0.21 -3.76 0.19 0.00 1.11 0.00 0.00 32.58 29.91 2crl s HIS 52 CO 0.04 -1.01 1.52 1.25 -0.85 0.00 0.00 174.74 175.69 2crl h LEU 53 N 8.77 0.29 0.45 0.89 5.85 -1.95 0.44 115.31 130.05 2crl h LEU 53 Ca -0.27 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2crl h LEU 53 Cb 1.09 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2crl h LEU 53 CO 1.00 0.86 -0.48 -0.33 -0.34 0.00 0.00 178.44 179.15 2crl h GLU 54 N 0.18 -0.91 -0.76 1.25 4.39 -1.93 -2.29 114.58 114.50 2crl h GLU 54 Ca -0.01 0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 2crl h GLU 54 Cb 1.19 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 30.00 2crl h GLU 54 CO 0.10 -0.61 0.10 -0.25 -1.16 0.00 0.00 179.01 177.19 2crl n ASP 55 N -5.55 4.22 -4.29 1.42 9.92 -1.24 -4.91 116.55 116.12 2crl n ASP 55 Ca -0.11 -2.77 -0.33 0.00 -0.53 0.00 0.00 54.79 51.05 2crl n ASP 55 Cb 0.45 -0.66 -0.09 0.00 -0.64 0.00 0.00 41.12 40.18 2crl n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crl n GLN 56 N 0.21 -0.87 -4.44 -1.24 1.13 -0.68 -4.91 117.38 106.57 2crl n GLN 56 Ca 0.25 0.10 -0.26 0.00 -1.94 0.00 0.00 57.00 55.15 2crl n GLN 56 Cb 1.02 -3.76 -0.11 0.00 0.11 0.00 0.00 30.24 27.50 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 -7.11 1.59 -0.14 -1.09 -1.94 0.15 -2.91 119.30 107.84 2crl s MET 57 Ca 0.26 -1.63 -0.04 0.00 -1.71 0.00 0.00 55.69 52.57 2crl s MET 57 Cb -0.15 -1.81 0.07 0.00 2.01 0.00 0.00 34.83 34.94 2crl s MET 57 CO 0.96 0.37 0.18 0.08 -0.01 0.00 0.00 175.02 176.60 2crl s VAL 58 N -2.04 -0.27 -0.15 -6.03 1.01 -0.15 0.18 120.40 112.94 2crl s VAL 58 Ca 0.25 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 2crl s VAL 58 Cb -0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2crl s VAL 58 CO 0.12 -0.03 0.11 -0.76 0.00 0.00 0.00 175.10 174.54 2crl s LEU 59 N 2.29 4.18 -0.29 3.92 1.43 0.73 -1.19 118.68 129.75 2crl s LEU 59 Ca 0.04 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2crl s LEU 59 Cb -0.14 -2.04 0.08 0.00 0.03 0.00 0.00 46.19 44.12 2crl s LEU 59 CO -0.09 0.29 0.01 -0.69 0.23 0.00 0.00 176.35 176.11 2crl s VAL 60 N -0.34 1.75 -1.04 -1.59 1.01 -1.18 -0.15 120.40 118.87 2crl s VAL 60 Ca 0.11 -1.74 -0.23 0.00 0.00 0.00 0.00 61.98 60.12 2crl s VAL 60 Cb -0.12 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.14 2crl s VAL 60 CO 0.01 -0.41 1.51 -1.00 0.00 0.00 0.00 175.10 175.22 2crl s HIS 61 N 1.22 2.50 0.07 5.22 0.09 -0.34 -3.27 115.29 120.78 2crl s HIS 61 Ca 0.04 -0.79 0.01 0.00 -0.00 0.00 0.00 55.06 54.31 2crl s HIS 61 Cb -0.19 -4.66 -0.04 0.00 -0.00 0.00 0.00 32.58 27.70 2crl s HIS 61 CO -0.11 -1.91 -0.06 -0.08 -0.00 0.00 0.00 174.74 172.58 2crl s THR 62 N 5.31 0.54 -0.78 1.30 -1.32 -1.18 -0.68 115.64 118.83 2crl s THR 62 Ca 0.48 -1.69 0.27 0.00 -1.21 0.00 0.00 61.69 59.54 2crl s THR 62 Cb -0.00 -1.37 0.28 0.00 -1.51 0.00 0.00 72.50 69.90 2crl s THR 62 CO -0.08 -0.78 1.81 0.35 -2.21 0.00 0.00 174.62 173.70 2crl n THR 63 N 0.36 0.49 -2.44 5.08 -2.24 -1.25 -0.89 114.28 113.39 2crl n THR 63 Ca -0.15 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 2crl n THR 63 Cb 0.59 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 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 -4.24 3.73 0.40 3.22 1.43 -1.26 -4.36 118.68 117.59 2crl s LEU 64 Ca 0.11 1.78 -0.25 0.00 -1.03 0.00 0.00 54.13 54.74 2crl s LEU 64 Cb 0.14 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 2crl s LEU 64 CO 0.58 -0.76 1.19 -2.16 0.23 0.00 0.00 176.35 175.43 2crl s PRO 65 N -3.62 4.04 0.10 1.29 0.04 -1.26 -4.81 135.00 130.78 2crl s PRO 65 Ca 0.64 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 63.36 2crl s PRO 65 Cb -0.14 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 2crl s PRO 65 CO 0.25 -0.34 1.34 0.77 0.04 0.00 0.00 177.00 179.07 2crl h SER 66 N 2.65 -1.37 -1.11 6.66 0.02 -1.95 0.72 113.55 119.17 2crl h SER 66 Ca -0.49 0.21 0.37 0.00 -0.84 0.00 0.00 61.79 61.04 2crl h SER 66 Cb 1.24 0.60 -0.09 0.00 0.14 0.00 0.00 62.40 64.29 2crl h SER 66 CO 0.63 -0.15 0.74 0.00 -1.14 0.00 0.00 176.83 176.90 2crl n GLN 67 N -4.43 -0.02 0.14 3.45 10.64 -1.26 0.45 117.38 126.35 2crl n GLN 67 Ca 0.01 0.90 -0.07 0.00 -1.83 0.00 0.00 57.00 56.01 2crl n GLN 67 Cb 0.17 -1.83 -0.03 0.00 -0.86 0.00 0.00 30.24 27.69 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 -0.43 -0.93 2.61 4.57 0.09 -3.29 114.58 117.20 2crl h GLU 68 Ca 0.66 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 59.01 2crl h GLU 68 Cb 2.24 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 30.85 2crl h GLU 68 CO -0.27 -0.29 0.59 0.28 -1.18 0.00 0.00 179.01 178.14 2crl h VAL 69 N -1.10 0.83 -0.91 0.32 2.07 0.33 0.26 116.25 118.05 2crl h VAL 69 Ca -0.05 -0.26 0.24 0.00 0.82 0.00 0.00 66.70 67.46 2crl h VAL 69 Cb 0.34 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 2crl h VAL 69 CO 0.08 0.14 0.63 -0.61 0.02 0.00 0.00 177.57 177.82 2crl h GLN 70 N 0.75 0.20 0.10 1.57 4.15 -0.71 0.13 115.11 121.28 2crl h GLN 70 Ca 0.47 -0.01 -0.29 0.00 0.77 0.00 0.00 58.65 59.59 2crl h GLN 70 Cb 0.71 -0.04 0.03 0.00 0.21 0.00 0.00 27.48 28.39 2crl h GLN 70 CO -0.23 0.13 -1.20 0.00 -1.93 0.00 0.00 178.83 175.59 2crl h ALA 71 N 1.58 0.03 0.00 3.38 0.00 -1.01 -2.79 119.26 120.45 2crl h ALA 71 Ca 0.46 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2crl h ALA 71 Cb 1.47 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2crl h ALA 71 CO -0.10 0.70 -0.30 -0.07 0.00 0.00 0.00 179.25 179.47 2crl h LEU 72 N 0.30 0.00 -0.01 0.00 3.38 -0.73 -2.86 115.31 115.38 2crl h LEU 72 Ca -0.17 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2crl h LEU 72 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2crl h LEU 72 CO 0.23 0.30 -0.14 -0.07 0.09 0.00 0.00 178.44 178.85 2crl h LEU 73 N 0.00 0.14 -1.91 1.67 3.38 -1.02 -3.23 115.31 114.34 2crl h LEU 73 Ca -0.00 -0.75 0.16 0.00 0.09 0.00 0.00 57.88 57.38 2crl h LEU 73 Cb 0.56 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2crl h LEU 73 CO 0.04 0.87 0.43 -0.33 0.09 0.00 0.00 178.44 179.54 2crl h GLU 74 N -0.58 0.08 -0.85 1.13 5.08 -1.40 -1.74 114.58 116.30 2crl h GLU 74 Ca -0.02 -0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.59 2crl h GLU 74 Cb 0.89 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 2crl h GLU 74 CO 0.03 0.06 1.08 0.78 -1.00 0.00 0.00 179.01 179.96 2crl h GLY 75 N 0.09 0.00 -2.16 -3.84 0.00 -1.52 1.30 103.07 96.93 2crl h GLY 75 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 2crl h GLY 75 CO -0.03 0.00 0.09 -1.30 0.00 0.00 0.00 176.54 175.30 2crl n THR 76 N -3.24 1.22 -3.12 4.70 -2.24 -0.66 -4.84 114.28 106.12 2crl n THR 76 Ca 0.19 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 2crl n THR 76 Cb 1.35 -0.61 0.03 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.10 -0.52 3.39 3.38 0.00 0.44 -4.98 105.19 107.02 2crl n GLY 77 Ca 0.13 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.79 1.57 -0.13 1.61 0.52 -1.08 -5.11 118.95 110.55 2crl s ARG 78 Ca 0.33 -1.88 -0.05 0.00 -0.52 0.00 0.00 55.73 53.62 2crl s ARG 78 Cb -0.16 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.78 2crl s ARG 78 CO 0.41 -0.29 0.04 -1.14 0.02 0.00 0.00 175.30 174.34 2crl s GLN 79 N -3.93 3.48 -0.24 3.54 2.00 -1.26 -4.25 119.66 119.00 2crl s GLN 79 Ca 0.36 -0.35 0.02 0.00 -2.00 0.00 0.00 55.36 53.39 2crl s GLN 79 Cb 0.07 -3.02 0.05 0.00 0.80 0.00 0.00 33.01 30.92 2crl s GLN 79 CO 0.15 0.52 -0.11 0.00 -0.50 0.00 0.00 175.29 175.35 2crl s ALA 80 N -0.34 2.43 -0.29 1.58 0.00 -1.26 -4.19 121.76 119.68 2crl s ALA 80 Ca 0.08 -1.62 -0.13 0.00 0.00 0.00 0.00 51.96 50.29 2crl s ALA 80 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2crl s ALA 80 CO 0.02 -1.08 0.28 0.08 0.00 0.00 0.00 175.76 175.06 2crl s VAL 81 N 1.18 5.24 -0.16 0.00 1.01 -1.18 -4.87 120.40 121.62 2crl s VAL 81 Ca -0.07 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2crl s VAL 81 Cb -0.19 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2crl s VAL 81 CO -0.06 0.14 1.20 -0.22 0.00 0.00 0.00 175.10 176.15 2crl s LEU 82 N 1.90 4.19 -0.18 3.92 0.20 -1.26 -0.14 118.68 127.30 2crl s LEU 82 Ca 0.10 1.65 0.16 0.00 0.69 0.00 0.00 54.13 56.73 2crl s LEU 82 Cb -0.16 -3.54 -0.24 0.00 -0.43 0.00 0.00 46.19 41.81 2crl s LEU 82 CO 0.11 -0.70 0.14 0.29 -0.29 0.00 0.00 176.35 175.90 2crl n LYS 83 N 6.23 0.68 0.00 1.98 4.76 0.56 -4.98 118.16 127.39 2crl n LYS 83 Ca 0.13 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2crl n LYS 83 Cb 0.45 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 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 1.75 1.56 2.38 0.72 0.00 -1.24 -5.01 105.19 105.34 2crl n GLY 84 Ca -0.31 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.18 3.07 -2.92 1.61 2.81 -1.26 -0.53 117.12 119.73 2crl n MET 85 Ca 0.00 -2.39 -0.03 0.00 -1.81 0.00 0.00 57.70 53.48 2crl n MET 85 Cb 0.00 -2.32 0.00 0.00 -0.71 0.00 0.00 33.22 30.19 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 1.70 -1.23 3.57 3.03 0.00 0.80 -4.44 105.19 108.60 2crl n GLY 86 Ca 0.55 0.71 -0.15 0.00 0.00 0.00 0.00 46.02 47.13 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 -2.81 -0.62 0.00 1.61 0.01 -1.26 -4.88 113.70 105.75 2crl s SER 87 Ca 0.08 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2crl s SER 87 Cb -0.02 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2crl s SER 87 CO 0.72 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2crl n GLY 88 N 1.42 1.61 4.05 3.44 0.00 -1.26 -4.86 105.19 109.60 2crl n GLY 88 Ca -0.16 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2crl n GLY 88 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2crl n GLN 89 N 0.00 -4.30 -3.02 1.61 -0.06 -1.26 -4.93 117.38 105.41 2crl n GLN 89 Ca 0.00 0.48 -0.32 0.00 -2.00 0.00 0.00 57.00 55.17 2crl n GLN 89 Cb 0.00 -5.24 -0.05 0.00 -4.06 0.00 0.00 30.24 20.89 2crl n GLN 89 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2crl s LEU 90 N -7.24 3.97 0.25 1.69 0.20 -1.26 -5.09 118.68 111.20 2crl s LEU 90 Ca 0.64 1.24 0.00 0.00 0.69 0.00 0.00 54.13 56.70 2crl s LEU 90 Cb -0.33 -4.07 -0.03 0.00 -0.43 0.00 0.00 46.19 41.32 2crl s LEU 90 CO 0.88 -0.28 0.22 -1.10 -0.29 0.00 0.00 176.35 175.77 2crl s GLN 91 N -3.30 1.42 -0.05 1.98 -1.52 -1.26 -5.17 119.66 111.76 2crl s GLN 91 Ca 0.53 -1.71 0.01 0.00 -1.95 0.00 0.00 55.36 52.24 2crl s GLN 91 Cb -0.10 0.31 0.02 0.00 -0.22 0.00 0.00 33.01 33.02 2crl s GLN 91 CO 0.22 -0.50 -0.03 1.21 -0.25 0.00 0.00 175.29 175.94 2crl s ASN 92 N -3.21 0.94 -0.29 5.90 3.84 -1.26 -5.13 114.94 115.74 2crl s ASN 92 Ca 0.38 -0.10 -0.16 0.00 0.21 0.00 0.00 52.86 53.18 2crl s ASN 92 Cb 0.05 -0.40 0.15 0.00 -0.55 0.00 0.00 41.25 40.49 2crl s ASN 92 CO 0.16 -0.08 1.00 -0.55 -2.79 0.00 0.00 177.10 174.84 2crl s SER 93 N 1.09 -0.47 0.00 -4.21 0.15 -1.26 -5.09 113.70 103.90 2crl s SER 93 Ca -0.08 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2crl s SER 93 Cb -0.14 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 2crl s SER 93 CO -0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2crl n GLY 94 N 3.58 0.28 3.56 9.45 0.00 -1.26 -5.08 105.19 115.73 2crl n GLY 94 Ca -0.18 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 2.79 -0.24 1.61 0.04 -1.26 -4.97 135.00 132.97 2crl s PRO 95 Ca 0.00 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 61.70 2crl s PRO 95 Cb 0.00 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 2crl s PRO 95 CO 0.00 -2.54 0.12 -1.12 0.04 0.00 0.00 177.00 173.51 2crl s SER 96 N 7.57 5.73 0.01 6.66 0.01 -1.26 -5.07 113.70 127.34 2crl s SER 96 Ca 0.69 -0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.70 2crl s SER 96 Cb -0.14 -2.03 0.05 0.00 0.21 0.00 0.00 66.02 64.11 2crl s SER 96 CO 0.23 0.04 0.54 -0.55 0.41 0.00 0.00 173.24 173.91 2crl s SER 97 N 1.21 -0.48 0.00 2.44 0.15 -1.26 -5.32 113.70 110.45 2crl s SER 97 Ca 0.06 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2crl s SER 97 Cb -0.14 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2crl s SER 97 CO 0.05 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.45