#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eed s SER 2 N 0.00 7.13 -1.79 1.61 1.04 -1.26 -3.87 113.70 116.56 2eed s SER 2 Ca 0.00 1.42 -0.17 0.00 0.48 0.00 0.00 55.95 57.67 2eed s SER 2 Cb 0.00 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 63.75 2eed s SER 2 CO 0.00 -0.63 0.46 -1.20 0.98 0.00 0.00 173.24 172.85 2eed n SER 3 N 6.05 -1.19 -4.58 7.02 7.64 -1.26 -4.88 113.62 122.42 2eed n SER 3 Ca 0.11 -1.24 -0.37 0.00 1.01 0.00 0.00 58.87 58.39 2eed n SER 3 Cb 0.47 -1.67 -0.11 0.00 -1.01 0.00 0.00 64.21 61.88 2eed n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eed s GLY 4 N -3.55 1.90 0.17 0.23 0.00 -1.25 -5.00 107.32 99.81 2eed s GLY 4 Ca 0.61 -0.98 -0.26 0.00 0.00 0.00 0.00 44.72 44.09 2eed s GLY 4 CO 1.02 0.44 1.56 0.23 0.00 0.00 0.00 173.10 176.35 2eed h SER 5 N 7.79 -1.54 -0.64 1.64 0.87 -1.95 0.37 113.55 120.09 2eed h SER 5 Ca -0.37 0.25 0.05 0.00 -1.23 0.00 0.00 61.79 60.49 2eed h SER 5 Cb 1.18 0.70 -0.05 0.00 -0.44 0.00 0.00 62.40 63.78 2eed h SER 5 CO 0.61 -0.34 0.37 0.77 -0.53 0.00 0.00 176.83 177.72 2eed h SER 6 N -0.23 0.56 0.00 6.23 4.64 -2.00 -3.42 113.55 119.34 2eed h SER 6 Ca 0.17 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2eed h SER 6 Cb 0.56 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2eed h SER 6 CO -0.70 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 176.25 2eed n GLY 7 N -1.28 -1.54 2.89 -0.77 0.00 0.12 -4.44 105.19 100.16 2eed n GLY 7 Ca 0.07 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 2eed n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eed n SER 8 N 0.00 -5.99 -4.67 1.61 7.64 -1.24 -4.83 113.62 106.15 2eed n SER 8 Ca 0.00 -0.24 -0.40 0.00 1.01 0.00 0.00 58.87 59.24 2eed n SER 8 Cb 0.00 -4.83 0.02 0.00 -1.01 0.00 0.00 64.21 58.39 2eed n SER 8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eed n SER 9 N -2.31 1.88 -4.57 6.43 7.64 -1.26 -5.00 113.62 116.43 2eed n SER 9 Ca -0.13 1.01 -0.32 0.00 1.01 0.00 0.00 58.87 60.44 2eed n SER 9 Cb 0.63 -1.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.27 2eed n SER 9 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2eed s ASP 10 N -0.78 4.50 -0.07 6.43 2.15 -1.11 -4.98 116.67 122.81 2eed s ASP 10 Ca 0.66 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.46 2eed s ASP 10 Cb -0.49 -1.01 -0.26 0.00 -0.30 0.00 0.00 42.92 40.86 2eed s ASP 10 CO 0.54 0.28 0.57 0.00 -0.17 0.00 0.00 175.17 176.39 2eed h ALA 11 N 4.56 0.51 -0.96 3.66 0.00 -1.91 -3.34 119.26 121.77 2eed h ALA 11 Ca -0.48 -1.36 0.28 0.00 0.00 0.00 0.00 54.91 53.35 2eed h ALA 11 Cb 1.17 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 2eed h ALA 11 CO 0.53 1.36 0.76 0.77 0.00 0.00 0.00 179.25 182.67 2eed h SER 12 N 0.05 0.00 0.56 0.00 0.02 -1.94 0.50 113.55 112.73 2eed h SER 12 Ca -0.34 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.32 2eed h SER 12 Cb 2.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.56 2eed h SER 12 CO 0.10 0.00 -1.41 0.11 -1.14 0.00 0.00 176.83 174.50 2eed h LYS 13 N 0.00 0.22 -6.40 3.45 1.79 -1.92 -3.44 116.57 110.28 2eed h LYS 13 Ca 0.46 -0.38 -0.60 0.00 -2.18 0.00 0.00 60.65 57.95 2eed h LYS 13 Cb 1.97 0.14 0.04 0.00 -1.58 0.00 0.00 32.23 32.80 2eed h LYS 13 CO -0.00 1.11 0.94 0.28 -1.08 0.00 0.00 179.45 180.69 2eed n VAL 14 N -3.45 0.28 -4.33 0.50 0.31 0.17 -4.72 118.33 107.10 2eed n VAL 14 Ca -0.13 -0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 63.89 2eed n VAL 14 Cb 1.03 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 2eed n VAL 14 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2eed s THR 15 N 2.42 3.03 -0.03 2.52 -4.23 -1.01 -4.54 115.64 113.79 2eed s THR 15 Ca 0.85 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 2eed s THR 15 Cb -0.68 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 70.66 2eed s THR 15 CO 0.44 -0.17 -0.00 -0.94 -0.54 0.00 0.00 174.62 173.41 2eed s SER 16 N -2.98 0.44 0.16 3.99 1.04 -1.26 -0.93 113.70 114.15 2eed s SER 16 Ca 0.26 -0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.75 2eed s SER 16 Cb -0.08 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 2eed s SER 16 CO 0.15 -0.09 -0.22 -1.59 0.98 0.00 0.00 173.24 172.47 2eed s LYS 17 N 0.96 1.33 0.00 4.02 0.00 -0.00 -4.98 119.74 121.07 2eed s LYS 17 Ca -0.10 -1.39 0.00 0.00 0.00 0.00 0.00 55.97 54.48 2eed s LYS 17 Cb -0.13 -1.56 0.00 0.00 0.00 0.00 0.00 37.83 36.13 2eed s LYS 17 CO -0.01 0.34 0.00 0.41 0.00 0.00 0.00 175.35 176.09 2eed n GLY 18 N 0.51 2.66 0.10 0.59 0.00 -1.26 -1.34 105.19 106.44 2eed n GLY 18 Ca -0.15 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 43.80 2eed n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eed h ALA 19 N 0.00 0.14 -1.92 4.61 0.00 -1.87 -3.35 119.26 116.88 2eed h ALA 19 Ca 0.00 -0.93 0.56 0.00 0.00 0.00 0.00 54.91 54.54 2eed h ALA 19 Cb 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2eed h ALA 19 CO 0.00 0.50 1.37 0.78 0.00 0.00 0.00 179.25 181.90 2eed h GLY 20 N -0.67 0.15 1.42 0.00 0.00 -1.62 1.85 103.07 104.20 2eed h GLY 20 Ca -0.22 -0.01 -0.24 0.00 0.00 0.00 0.00 47.33 46.86 2eed h GLY 20 CO -0.05 -0.05 -0.97 1.41 0.00 0.00 0.00 176.54 176.87 2eed h LEU 21 N 0.00 0.68 0.00 3.11 3.38 -1.84 -3.37 115.31 117.27 2eed h LEU 21 Ca 0.94 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 2eed h LEU 21 Cb 3.68 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 44.22 2eed h LEU 21 CO -0.06 1.34 -0.37 -1.28 0.09 0.00 0.00 178.44 178.16 2eed h SER 22 N 0.30 0.00 -4.98 -0.43 0.87 0.24 -3.40 113.55 106.15 2eed h SER 22 Ca -0.10 -0.42 -0.09 0.00 -1.23 0.00 0.00 61.79 59.96 2eed h SER 22 Cb 1.61 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.37 2eed h SER 22 CO 0.18 0.91 -0.06 -1.59 -0.53 0.00 0.00 176.83 175.74 2eed s LYS 23 N -2.06 0.85 0.27 2.24 -2.85 0.15 -3.61 119.74 114.72 2eed s LYS 23 Ca -0.15 0.03 0.05 0.00 -1.00 0.00 0.00 55.97 54.90 2eed s LYS 23 Cb 0.01 0.39 -0.06 0.00 -2.06 0.00 0.00 37.83 36.11 2eed s LYS 23 CO 0.38 -0.25 -0.02 0.00 0.10 0.00 0.00 175.35 175.56 2eed s ALA 24 N -1.24 2.14 -0.04 0.59 0.00 -1.09 -3.44 121.76 118.68 2eed s ALA 24 Ca -0.12 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.00 2eed s ALA 24 Cb -0.03 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.45 2eed s ALA 24 CO 0.07 -0.17 -0.11 -0.06 0.00 0.00 0.00 175.76 175.49 2eed s PHE 25 N -3.20 1.25 0.14 0.00 0.08 -1.26 -4.07 117.98 110.92 2eed s PHE 25 Ca 0.30 -0.38 -0.34 0.00 0.12 0.00 0.00 56.93 56.63 2eed s PHE 25 Cb 0.05 -0.90 -0.16 0.00 -0.57 0.00 0.00 43.02 41.44 2eed s PHE 25 CO 0.11 -0.17 1.23 0.28 -0.10 0.00 0.00 175.22 176.56 2eed n VAL 26 N 3.47 0.57 0.00 -0.44 0.31 -1.26 -1.65 118.33 119.33 2eed n VAL 26 Ca -0.20 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2eed n VAL 26 Cb 0.53 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 2eed n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2eed n GLY 27 N 2.20 1.71 3.69 2.92 0.00 -0.92 -4.96 105.19 109.82 2eed n GLY 27 Ca 0.16 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 2eed n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eed n GLN 28 N 0.00 2.17 -2.68 1.61 6.02 -0.66 -4.87 117.38 118.97 2eed n GLN 28 Ca 0.00 0.77 -0.43 0.00 -0.01 0.00 0.00 57.00 57.34 2eed n GLN 28 Cb 0.00 -2.43 -0.03 0.00 1.02 0.00 0.00 30.24 28.79 2eed n GLN 28 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2eed s LYS 29 N -0.71 3.47 -0.14 -1.09 2.20 -1.26 -4.61 119.74 117.60 2eed s LYS 29 Ca 0.65 0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 56.15 2eed s LYS 29 Cb -0.61 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 31.67 2eed s LYS 29 CO 0.52 -1.57 0.62 -1.12 -0.36 0.00 0.00 175.35 173.44 2eed s SER 30 N 2.84 6.79 0.28 1.43 0.01 -1.12 -4.96 113.70 118.97 2eed s SER 30 Ca 0.39 0.95 0.11 0.00 1.31 0.00 0.00 55.95 58.71 2eed s SER 30 Cb -0.09 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2eed s SER 30 CO 0.24 -0.16 -0.19 -0.94 0.41 0.00 0.00 173.24 172.61 2eed s SER 31 N 0.93 3.51 -0.27 2.44 1.04 -1.26 -1.86 113.70 118.22 2eed s SER 31 Ca 0.31 -1.04 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 2eed s SER 31 Cb -0.16 -0.29 0.08 0.00 0.10 0.00 0.00 66.02 65.75 2eed s SER 31 CO 0.13 -0.00 0.77 0.72 0.98 0.00 0.00 173.24 175.84 2eed s PHE 32 N -2.56 -0.79 0.11 5.02 -0.71 -0.24 -3.63 117.98 115.18 2eed s PHE 32 Ca 0.30 1.82 0.03 0.00 -1.04 0.00 0.00 56.93 58.04 2eed s PHE 32 Cb -0.04 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 2eed s PHE 32 CO 0.14 -0.39 0.15 -1.17 -1.34 0.00 0.00 175.22 172.62 2eed s LEU 33 N 0.68 3.97 -0.19 -1.99 2.96 -0.45 -1.95 118.68 121.70 2eed s LEU 33 Ca -0.02 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2eed s LEU 33 Cb -0.05 -2.60 0.06 0.00 0.50 0.00 0.00 46.19 44.10 2eed s LEU 33 CO -0.05 0.12 0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 2eed s VAL 34 N -1.58 0.65 -0.11 1.68 1.01 -0.98 -0.82 120.40 120.25 2eed s VAL 34 Ca 0.31 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2eed s VAL 34 Cb -0.11 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2eed s VAL 34 CO 0.24 -0.17 1.04 -0.62 0.00 0.00 0.00 175.10 175.59 2eed s ASP 35 N 1.80 7.20 -0.21 3.32 -1.08 -0.11 -2.68 116.67 124.91 2eed s ASP 35 Ca -0.01 1.55 0.11 0.00 -0.52 0.00 0.00 52.55 53.69 2eed s ASP 35 Cb -0.17 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.15 2eed s ASP 35 CO -0.08 -0.50 1.24 0.00 0.52 0.00 0.00 175.17 176.36 2eed h SER 37 N 0.93 -0.39 1.16 0.00 0.02 -1.87 -3.02 113.55 110.38 2eed h SER 37 Ca 0.02 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2eed h SER 37 Cb 1.06 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2eed h SER 37 CO 0.04 0.04 -0.00 0.11 -1.14 0.00 0.00 176.83 175.88 2eed h LYS 38 N -0.92 0.00 0.05 3.45 6.56 -1.89 -3.31 116.57 120.51 2eed h LYS 38 Ca -0.05 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 2eed h LYS 38 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 2eed h LYS 38 CO 0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 179.45 177.45 2eed h ALA 39 N 2.00 -0.88 0.00 3.86 0.00 -1.78 -3.46 119.26 119.01 2eed h ALA 39 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2eed h ALA 39 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2eed h ALA 39 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.79 2eed n GLY 40 N -0.62 -0.50 2.53 0.00 0.00 -1.15 -2.76 105.19 102.69 2eed n GLY 40 Ca -0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2eed n GLY 40 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eed n SER 41 N 0.00 2.49 -3.51 1.61 2.88 -1.26 -4.80 113.62 111.03 2eed n SER 41 Ca 0.00 -3.29 -0.16 0.00 -1.33 0.00 0.00 58.87 54.09 2eed n SER 41 Cb 0.00 -0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.86 2eed n SER 41 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2eed n ASN 42 N 0.01 2.28 -4.86 -3.46 4.13 -1.26 -4.95 115.26 107.15 2eed n ASN 42 Ca 0.27 -2.11 -0.23 0.00 1.68 0.00 0.00 54.58 54.20 2eed n ASN 42 Cb 0.57 0.06 -0.04 0.00 -1.54 0.00 0.00 39.78 38.83 2eed n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eed s MET 43 N -3.14 3.08 -0.24 3.52 0.23 -1.26 -5.00 119.30 116.50 2eed s MET 43 Ca 0.10 -0.93 0.02 0.00 -1.03 0.00 0.00 55.69 53.85 2eed s MET 43 Cb -0.01 -2.68 0.06 0.00 -1.53 0.00 0.00 34.83 30.67 2eed s MET 43 CO 0.06 0.43 -0.08 -1.17 -2.03 0.00 0.00 175.02 172.23 2eed s LEU 44 N -3.73 2.85 0.35 0.18 2.96 -1.26 -2.70 118.68 117.33 2eed s LEU 44 Ca 0.33 -1.21 0.09 0.00 -0.22 0.00 0.00 54.13 53.12 2eed s LEU 44 Cb -0.09 -1.33 -0.06 0.00 0.50 0.00 0.00 46.19 45.21 2eed s LEU 44 CO 0.26 -0.20 0.00 -1.48 -1.32 0.00 0.00 176.35 173.61 2eed s LEU 45 N 1.28 2.95 0.04 -0.68 -0.00 -1.23 -5.07 118.68 115.97 2eed s LEU 45 Ca -0.06 -1.05 0.06 0.00 -0.00 0.00 0.00 54.13 53.08 2eed s LEU 45 Cb -0.19 -1.28 -0.02 0.00 -0.00 0.00 0.00 46.19 44.70 2eed s LEU 45 CO -0.06 -0.26 -0.17 -0.63 -0.00 0.00 0.00 176.35 175.23 2eed s ILE 46 N -2.55 1.39 -0.45 1.48 -1.09 -1.26 -3.10 121.20 115.61 2eed s ILE 46 Ca 0.35 -1.10 0.09 0.00 -2.23 0.00 0.00 60.65 57.75 2eed s ILE 46 Cb 0.01 -1.23 0.38 0.00 -1.58 0.00 0.00 42.46 40.05 2eed s ILE 46 CO 0.19 0.10 0.95 0.61 -1.23 0.00 0.00 174.94 175.56 2eed n GLY 47 N 1.87 4.60 3.39 6.18 0.00 -0.69 -5.02 105.19 115.51 2eed n GLY 47 Ca -0.18 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.14 2eed n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2eed n VAL 48 N -0.17 1.31 -1.85 1.61 0.24 -1.26 -4.50 118.33 113.71 2eed n VAL 48 Ca 0.28 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.76 2eed n VAL 48 Cb 0.59 -0.32 0.03 0.00 -1.47 0.00 0.00 33.84 32.67 2eed n VAL 48 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2eed s HIS 49 N -1.60 3.01 -0.43 6.34 -3.43 -1.26 -5.01 115.29 112.92 2eed s HIS 49 Ca 0.62 1.48 0.08 0.00 -0.80 0.00 0.00 55.06 56.45 2eed s HIS 49 Cb -0.60 -2.97 0.34 0.00 -1.43 0.00 0.00 32.58 27.93 2eed s HIS 49 CO 0.60 -1.19 1.07 0.41 -2.00 0.00 0.00 174.74 173.62 2eed n GLY 50 N -1.32 1.38 0.07 -1.38 0.00 -1.26 -4.50 105.19 98.18 2eed n GLY 50 Ca 0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2eed n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed h PRO 51 N 2.85 -0.03 0.00 1.61 0.13 -2.00 -3.46 132.00 131.11 2eed h PRO 51 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2eed h PRO 51 Cb 1.11 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2eed h PRO 51 CO 0.20 0.45 -0.01 -2.37 -0.23 0.00 0.00 178.00 176.03 2eed n THR 52 N -4.87 0.33 -3.76 1.56 5.66 -1.26 -5.01 114.28 106.92 2eed n THR 52 Ca -0.08 0.11 -0.35 0.00 -3.05 0.00 0.00 64.05 60.67 2eed n THR 52 Cb 0.25 -0.79 -0.10 0.00 -1.55 0.00 0.00 70.33 68.13 2eed n THR 52 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2eed s THR 53 N -2.00 3.52 1.00 1.09 2.01 -1.26 -5.09 115.64 114.91 2eed s THR 53 Ca 0.00 -2.97 -0.17 0.00 0.31 0.00 0.00 61.69 58.87 2eed s THR 53 Cb 0.00 -3.32 0.25 0.00 0.01 0.00 0.00 72.50 69.44 2eed s THR 53 CO 0.00 -0.86 0.89 -0.81 -0.69 0.00 0.00 174.62 173.15 2eed n PRO 54 N 3.49 -2.75 -2.54 4.92 -0.04 -1.26 -4.94 135.00 131.87 2eed n PRO 54 Ca 0.07 -1.42 -0.32 0.00 -0.04 0.00 0.00 63.50 61.79 2eed n PRO 54 Cb 0.37 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2eed n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eed h GLU 56 N 1.04 1.02 -2.04 0.00 4.39 -1.63 -3.47 114.58 113.89 2eed h GLU 56 Ca -0.47 -0.15 0.26 0.00 0.34 0.00 0.00 59.36 59.34 2eed h GLU 56 Cb 1.19 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.57 2eed h GLU 56 CO 0.62 0.81 0.72 -1.83 -1.16 0.00 0.00 179.01 178.17 2eed s GLU 57 N -5.69 0.78 -0.23 2.33 -1.05 -1.26 -5.02 118.70 108.56 2eed s GLU 57 Ca -0.13 -0.47 -0.04 0.00 -0.15 0.00 0.00 54.97 54.18 2eed s GLU 57 Cb 0.14 0.24 0.09 0.00 -0.44 0.00 0.00 34.13 34.16 2eed s GLU 57 CO 0.81 -0.36 0.14 0.08 0.95 0.00 0.00 175.26 176.87 2eed s VAL 58 N -2.44 -0.13 -0.44 1.83 1.01 -1.26 -3.45 120.40 115.51 2eed s VAL 58 Ca 0.19 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 2eed s VAL 58 Cb 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2eed s VAL 58 CO 0.00 -0.46 0.77 -0.44 0.00 0.00 0.00 175.10 174.97 2eed s SER 59 N 2.16 6.41 -0.18 3.32 0.01 0.12 -4.94 113.70 120.60 2eed s SER 59 Ca 0.06 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2eed s SER 59 Cb -0.16 -2.38 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2eed s SER 59 CO -0.22 -0.90 -0.18 -0.04 0.41 0.00 0.00 173.24 172.31 2eed s MET 60 N 3.24 3.05 -0.01 12.44 -1.94 -1.26 -0.64 119.30 134.18 2eed s MET 60 Ca 0.29 -0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 53.45 2eed s MET 60 Cb -0.12 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.11 2eed s MET 60 CO 0.22 -0.18 0.04 0.15 -0.01 0.00 0.00 175.02 175.25 2eed s LYS 61 N 1.24 0.08 -1.18 2.03 -0.14 0.60 -5.01 119.74 117.35 2eed s LYS 61 Ca 0.03 0.00 -0.15 0.00 -1.36 0.00 0.00 55.97 54.50 2eed s LYS 61 Cb -0.14 0.04 0.15 0.00 -1.68 0.00 0.00 37.83 36.20 2eed s LYS 61 CO -0.10 -0.01 1.44 -1.58 -0.76 0.00 0.00 175.35 174.33 2eed s HIS 62 N -0.11 3.36 0.63 3.18 5.65 -1.26 0.56 115.29 127.29 2eed s HIS 62 Ca -0.01 -1.97 0.22 0.00 0.25 0.00 0.00 55.06 53.54 2eed s HIS 62 Cb -0.01 -4.37 0.99 0.00 -1.18 0.00 0.00 32.58 28.01 2eed s HIS 62 CO 0.00 -1.46 1.51 -0.39 -0.65 0.00 0.00 174.74 173.74 2eed h VAL 63 N 4.93 0.09 0.00 0.89 -1.51 -1.83 -3.47 116.25 115.36 2eed h VAL 63 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 2eed h VAL 63 Cb 0.89 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2eed h VAL 63 CO 1.26 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.21 2eed n GLY 64 N -1.52 -1.10 3.38 5.19 0.00 -1.04 -4.96 105.19 105.14 2eed n GLY 64 Ca 0.09 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.73 2eed n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2eed n ASN 65 N 0.00 -3.89 -1.71 1.61 3.02 -1.26 0.73 115.26 113.76 2eed n ASN 65 Ca 0.00 -0.41 -0.17 0.00 -0.03 0.00 0.00 54.58 53.97 2eed n ASN 65 Cb 0.00 -3.21 -0.03 0.00 -0.61 0.00 0.00 39.78 35.93 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2eed n GLN 66 N -3.79 -1.28 -5.19 3.52 1.13 -1.26 -4.91 117.38 105.59 2eed n GLN 66 Ca -0.02 0.90 -0.32 0.00 -1.94 0.00 0.00 57.00 55.62 2eed n GLN 66 Cb 0.54 -5.26 -0.17 0.00 0.11 0.00 0.00 30.24 25.46 2eed n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2eed s GLN 67 N -4.39 3.03 -0.25 -1.09 -0.21 0.23 -1.48 119.66 115.49 2eed s GLN 67 Ca 0.00 -0.87 -0.03 0.00 0.02 0.00 0.00 55.36 54.48 2eed s GLN 67 Cb 0.00 -2.31 0.01 0.00 1.00 0.00 0.00 33.01 31.71 2eed s GLN 67 CO 0.00 0.20 -0.03 0.71 -2.12 0.00 0.00 175.29 174.05 2eed s TYR 68 N 0.29 3.05 -0.18 0.91 1.51 -1.09 -2.41 117.35 119.43 2eed s TYR 68 Ca -0.17 -1.26 -0.22 0.00 -1.01 0.00 0.00 57.07 54.41 2eed s TYR 68 Cb -0.17 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 2eed s TYR 68 CO 0.08 -0.65 0.68 1.21 -1.11 0.00 0.00 175.55 175.76 2eed s ASN 69 N 1.40 6.77 -0.08 2.29 3.04 0.19 -2.32 114.94 126.23 2eed s ASN 69 Ca 0.02 0.93 -0.01 0.00 0.04 0.00 0.00 52.86 53.85 2eed s ASN 69 Cb -0.16 -2.38 0.03 0.00 -1.54 0.00 0.00 41.25 37.20 2eed s ASN 69 CO -0.03 -0.29 -0.03 -0.69 -3.04 0.00 0.00 177.10 173.02 2eed s VAL 70 N 1.88 0.65 -0.01 -5.21 1.01 -0.83 -0.29 120.40 117.60 2eed s VAL 70 Ca 0.31 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2eed s VAL 70 Cb -0.16 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 2eed s VAL 70 CO 0.11 0.30 -0.10 -0.89 0.00 0.00 0.00 175.10 174.52 2eed s THR 71 N 1.72 0.78 0.31 3.92 2.01 0.19 -1.08 115.64 123.48 2eed s THR 71 Ca 0.02 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2eed s THR 71 Cb -0.13 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 2eed s THR 71 CO -0.05 0.23 0.09 -0.72 -0.69 0.00 0.00 174.62 173.48 2eed s TYR 72 N -0.09 1.73 -0.17 4.92 -0.85 -0.78 0.11 117.35 122.23 2eed s TYR 72 Ca 0.01 -1.13 -0.03 0.00 -0.52 0.00 0.00 57.07 55.40 2eed s TYR 72 Cb -0.05 -1.07 0.05 0.00 0.38 0.00 0.00 41.96 41.27 2eed s TYR 72 CO -0.00 -0.23 0.03 0.08 -1.52 0.00 0.00 175.55 173.91 2eed s VAL 73 N -3.51 0.44 -0.13 -3.49 1.01 -1.22 -2.79 120.40 110.70 2eed s VAL 73 Ca 0.35 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2eed s VAL 73 Cb 0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 2eed s VAL 73 CO 0.15 -0.11 0.26 0.68 0.00 0.00 0.00 175.10 176.08 2eed s VAL 74 N 1.91 5.31 -1.60 2.92 -7.23 -1.26 -1.42 120.40 119.02 2eed s VAL 74 Ca 0.01 0.49 0.21 0.00 -1.81 0.00 0.00 61.98 60.87 2eed s VAL 74 Cb -0.16 -3.58 0.67 0.00 0.56 0.00 0.00 36.38 33.87 2eed s VAL 74 CO -0.07 0.46 1.57 1.17 -0.31 0.00 0.00 175.10 177.92 2eed n LYS 75 N 3.02 3.15 -4.29 4.82 3.00 -1.26 -2.18 118.16 124.42 2eed n LYS 75 Ca -0.14 -2.75 -0.16 0.00 -0.00 0.00 0.00 58.31 55.27 2eed n LYS 75 Cb 0.52 -1.70 -0.10 0.00 0.00 0.00 0.00 35.03 33.76 2eed n LYS 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2eed s GLU 76 N -1.35 1.29 0.38 1.64 2.12 -1.26 -4.93 118.70 116.58 2eed s GLU 76 Ca 0.49 -1.66 0.05 0.00 0.36 0.00 0.00 54.97 54.21 2eed s GLU 76 Cb 0.28 -0.34 -0.06 0.00 0.26 0.00 0.00 34.13 34.27 2eed s GLU 76 CO 0.29 -0.19 0.04 -0.98 -0.54 0.00 0.00 175.26 173.88 2eed s ARG 77 N -3.96 1.83 0.00 4.30 3.03 -1.26 -4.53 118.95 118.36 2eed s ARG 77 Ca 0.31 -2.04 0.00 0.00 2.03 0.00 0.00 55.73 56.03 2eed s ARG 77 Cb 0.07 -1.21 0.00 0.00 -1.03 0.00 0.00 34.95 32.78 2eed s ARG 77 CO 0.09 -0.16 0.00 0.41 -1.13 0.00 0.00 175.30 174.51 2eed n GLY 78 N -0.85 0.27 3.77 3.88 0.00 0.11 -4.92 105.19 107.45 2eed n GLY 78 Ca -0.05 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2eed n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2eed s ASP 79 N -4.00 7.13 0.15 1.61 2.15 -1.26 -0.21 116.67 122.23 2eed s ASP 79 Ca 0.00 1.35 0.07 0.00 0.43 0.00 0.00 52.55 54.39 2eed s ASP 79 Cb 0.00 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.16 2eed s ASP 79 CO 0.00 0.13 -0.15 -0.31 -0.17 0.00 0.00 175.17 174.67 2eed s TYR 80 N -0.49 1.57 -0.24 -5.34 1.51 0.55 -4.98 117.35 109.92 2eed s TYR 80 Ca 0.34 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 2eed s TYR 80 Cb -0.20 -0.79 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 2eed s TYR 80 CO 0.21 0.23 -0.03 0.08 -1.11 0.00 0.00 175.55 174.93 2eed s VAL 81 N -2.32 1.42 -0.28 0.71 1.01 -1.26 -2.73 120.40 116.95 2eed s VAL 81 Ca 0.14 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.74 2eed s VAL 81 Cb -0.04 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 2eed s VAL 81 CO 0.04 -0.18 0.37 -0.22 0.00 0.00 0.00 175.10 175.12 2eed s LEU 82 N 1.43 4.08 -0.36 3.92 2.96 -1.01 -4.02 118.68 125.69 2eed s LEU 82 Ca -0.03 0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.05 2eed s LEU 82 Cb -0.19 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.15 2eed s LEU 82 CO -0.08 -0.20 0.12 0.00 -1.32 0.00 0.00 176.35 174.87 2eed s ALA 83 N 2.07 3.04 -0.20 5.97 0.00 -1.26 -1.55 121.76 129.83 2eed s ALA 83 Ca 0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.10 2eed s ALA 83 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2eed s ALA 83 CO 0.10 -1.47 -0.10 0.08 0.00 0.00 0.00 175.76 174.37 2eed s VAL 84 N 1.31 2.93 0.17 0.00 1.01 -1.26 -1.70 120.40 122.86 2eed s VAL 84 Ca 0.00 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2eed s VAL 84 Cb -0.21 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2eed s VAL 84 CO 0.00 0.46 0.08 -0.54 0.00 0.00 0.00 175.10 175.10 2eed s LYS 85 N 1.38 2.67 -0.41 2.72 1.02 -1.18 -2.60 119.74 123.33 2eed s LYS 85 Ca 0.05 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 55.06 2eed s LYS 85 Cb -0.14 -2.51 0.14 0.00 -0.52 0.00 0.00 37.83 34.80 2eed s LYS 85 CO -0.06 0.47 0.23 -0.46 -0.92 0.00 0.00 175.35 174.60 2eed s TRP 86 N -1.77 1.68 -0.64 3.18 -0.11 -0.51 -3.48 118.94 117.29 2eed s TRP 86 Ca 0.29 -2.22 -0.09 0.00 1.22 0.00 0.00 56.10 55.31 2eed s TRP 86 Cb -0.10 -1.66 0.01 0.00 -1.50 0.00 0.00 33.47 30.23 2eed s TRP 86 CO 0.21 -0.80 0.65 0.41 -4.62 0.00 0.00 176.95 172.81 2eed n GLY 87 N 3.70 -1.10 3.56 5.86 0.00 -1.10 -3.29 105.19 112.83 2eed n GLY 87 Ca 0.09 0.79 -0.21 0.00 0.00 0.00 0.00 46.02 46.69 2eed n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eed n GLU 88 N -1.38 -6.99 -3.78 1.61 1.02 -1.26 -4.98 120.64 104.89 2eed n GLU 88 Ca -0.05 0.80 -0.09 0.00 -0.02 0.00 0.00 57.16 57.81 2eed n GLU 88 Cb 0.55 -5.79 0.03 0.00 -0.02 0.00 0.00 31.44 26.21 2eed n GLU 88 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2eed n GLU 89 N -4.56 1.12 -3.77 3.49 1.02 -1.21 -5.12 120.64 111.62 2eed n GLU 89 Ca -0.14 -2.25 -0.27 0.00 -0.02 0.00 0.00 57.16 54.48 2eed n GLU 89 Cb 0.61 2.78 -0.16 0.00 -0.02 0.00 0.00 31.44 34.65 2eed n GLU 89 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2eed s HIS 90 N -2.20 1.16 0.50 -0.32 3.76 -1.26 -1.42 115.29 115.52 2eed s HIS 90 Ca 0.16 -0.88 -0.19 0.00 -0.15 0.00 0.00 55.06 54.00 2eed s HIS 90 Cb -0.05 -1.08 -0.13 0.00 1.11 0.00 0.00 32.58 32.43 2eed s HIS 90 CO 0.12 -0.60 0.10 0.44 -0.85 0.00 0.00 174.74 173.96 2eed n ILE 91 N 5.01 0.73 -2.05 0.60 -5.35 -1.07 -4.74 119.36 112.50 2eed n ILE 91 Ca -0.09 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.58 2eed n ILE 91 Cb 0.47 -0.20 -0.04 0.00 -1.74 0.00 0.00 39.64 38.13 2eed n ILE 91 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2eed s PRO 92 N -1.30 2.58 0.00 6.28 0.04 -1.26 -2.59 135.00 138.75 2eed s PRO 92 Ca 0.60 0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2eed s PRO 92 Cb -0.51 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2eed s PRO 92 CO 0.62 -3.17 0.00 0.41 0.04 0.00 0.00 177.00 174.91 2eed n GLY 93 N 6.48 0.44 3.92 0.56 0.00 -1.26 -5.04 105.19 110.28 2eed n GLY 93 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 2eed n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eed s SER 94 N 0.00 6.42 0.20 1.61 0.15 -1.07 -3.31 113.70 117.70 2eed s SER 94 Ca 0.00 0.43 -0.30 0.00 0.70 0.00 0.00 55.95 56.78 2eed s SER 94 Cb 0.00 -2.02 -0.09 0.00 -1.71 0.00 0.00 66.02 62.20 2eed s SER 94 CO 0.00 0.04 1.30 -2.16 1.20 0.00 0.00 173.24 173.62 2eed s PRO 95 N -2.91 4.39 0.32 5.44 0.04 -1.26 -4.94 135.00 136.08 2eed s PRO 95 Ca 0.39 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.23 2eed s PRO 95 Cb -0.12 -3.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.13 2eed s PRO 95 CO 0.27 -0.25 0.90 -0.06 0.04 0.00 0.00 177.00 177.91 2eed s PHE 96 N 0.12 3.64 -0.51 0.56 0.40 -0.59 -4.86 117.98 116.73 2eed s PHE 96 Ca 0.57 1.69 -0.18 0.00 -0.60 0.00 0.00 56.93 58.40 2eed s PHE 96 Cb -0.36 -2.86 0.07 0.00 0.51 0.00 0.00 43.02 40.38 2eed s PHE 96 CO 0.38 0.20 0.60 -1.58 0.70 0.00 0.00 175.22 175.52 2eed s HIS 97 N -1.66 3.08 -0.26 0.36 5.65 -1.26 -2.40 115.29 118.79 2eed s HIS 97 Ca 0.50 -0.65 -0.08 0.00 0.25 0.00 0.00 55.06 55.08 2eed s HIS 97 Cb -0.17 -3.53 -0.02 0.00 -1.18 0.00 0.00 32.58 27.67 2eed s HIS 97 CO 0.22 -1.02 0.08 0.08 -0.65 0.00 0.00 174.74 173.45 2eed s VAL 98 N 2.47 4.32 -0.16 0.89 1.01 -1.10 -4.75 120.40 123.07 2eed s VAL 98 Ca 0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 2eed s VAL 98 Cb -0.21 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2eed s VAL 98 CO 0.10 0.27 0.10 -0.89 0.00 0.00 0.00 175.10 174.69 2eed s THR 99 N 1.60 5.18 -0.19 3.92 2.01 -1.24 -0.33 115.64 126.60 2eed s THR 99 Ca 0.06 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2eed s THR 99 Cb -0.16 -3.31 0.03 0.00 0.01 0.00 0.00 72.50 69.07 2eed s THR 99 CO 0.04 0.51 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.63 2eed s VAL 100 N -0.14 1.91 -2.00 3.82 1.01 0.70 -2.68 120.40 123.01 2eed s VAL 100 Ca 0.09 -0.98 0.16 0.00 0.00 0.00 0.00 61.98 61.25 2eed s VAL 100 Cb -0.12 -1.81 0.45 0.00 0.00 0.00 0.00 36.38 34.90 2eed s VAL 100 CO 0.01 0.39 1.35 -0.81 0.00 0.00 0.00 175.10 176.03