#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eed n SER 2 N 0.00 1.99 -4.55 1.61 2.88 -1.26 -4.75 113.62 109.55 2eed n SER 2 Ca 0.00 1.11 -0.27 0.00 -1.33 0.00 0.00 58.87 58.38 2eed n SER 2 Cb 0.00 -1.25 -0.06 0.00 -0.75 0.00 0.00 64.21 62.16 2eed n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eed n SER 3 N 2.77 1.90 0.00 -3.46 7.64 -1.26 -4.87 113.62 116.34 2eed n SER 3 Ca 0.18 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2eed n SER 3 Cb 0.21 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 2eed n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eed n GLY 4 N 6.32 3.63 0.34 0.23 0.00 -1.26 -4.96 105.19 109.49 2eed n GLY 4 Ca 0.43 -1.86 0.22 0.00 0.00 0.00 0.00 46.02 44.81 2eed n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2eed h SER 5 N 0.00 0.55 -6.23 1.61 0.87 -2.03 -3.45 113.55 104.87 2eed h SER 5 Ca 0.00 0.17 -0.45 0.00 -1.23 0.00 0.00 61.79 60.28 2eed h SER 5 Cb 0.00 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2eed h SER 5 CO 0.00 -0.06 -0.82 -1.20 -0.53 0.00 0.00 176.83 174.22 2eed n SER 6 N -4.97 -2.24 -0.03 6.23 7.64 -1.26 -4.60 113.62 114.38 2eed n SER 6 Ca 0.30 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2eed n SER 6 Cb 0.93 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 60.30 2eed n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eed n GLY 7 N -1.66 -3.01 2.80 0.23 0.00 -1.26 -5.05 105.19 97.24 2eed n GLY 7 Ca -0.18 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 2eed n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed s SER 8 N -2.03 1.06 -0.21 1.61 0.01 -1.26 -5.12 113.70 107.75 2eed s SER 8 Ca 0.00 -0.06 -0.07 0.00 1.31 0.00 0.00 55.95 57.13 2eed s SER 8 Cb 0.00 -0.35 0.10 0.00 0.21 0.00 0.00 66.02 65.98 2eed s SER 8 CO 0.00 -0.14 0.44 -0.94 0.41 0.00 0.00 173.24 173.01 2eed s SER 9 N 1.47 -0.31 -0.06 2.44 1.04 -1.26 -2.81 113.70 114.20 2eed s SER 9 Ca -0.03 0.99 0.03 0.00 0.48 0.00 0.00 55.95 57.41 2eed s SER 9 Cb -0.13 1.43 -0.03 0.00 0.10 0.00 0.00 66.02 67.39 2eed s SER 9 CO -0.03 -0.24 -0.13 -1.81 0.98 0.00 0.00 173.24 172.02 2eed s ASP 10 N 2.64 4.15 -0.13 7.02 1.01 -1.22 -5.01 116.67 125.12 2eed s ASP 10 Ca -0.01 -0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.11 2eed s ASP 10 Cb -0.12 -0.99 -0.24 0.00 1.01 0.00 0.00 42.92 42.58 2eed s ASP 10 CO -0.14 0.33 0.31 0.00 0.21 0.00 0.00 175.17 175.88 2eed n ALA 11 N 2.42 1.21 0.25 5.23 0.00 -1.26 -4.03 120.51 124.32 2eed n ALA 11 Ca -0.17 -0.81 0.17 0.00 0.00 0.00 0.00 53.44 52.63 2eed n ALA 11 Cb 0.52 -0.57 0.89 0.00 0.00 0.00 0.00 19.45 20.29 2eed n ALA 11 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2eed h SER 12 N 0.03 0.00 1.38 0.00 0.02 -1.95 0.20 113.55 113.23 2eed h SER 12 Ca -0.43 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 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 0.05 0.00 -0.64 0.11 -1.14 0.00 0.00 176.83 175.21 2eed h LYS 13 N 0.00 0.00 -6.96 3.45 1.79 -1.95 -3.45 116.57 109.45 2eed h LYS 13 Ca 0.06 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.01 2eed h LYS 13 Cb 0.37 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.08 2eed h LYS 13 CO -0.00 0.19 0.53 0.08 -1.08 0.00 0.00 179.45 179.17 2eed s VAL 14 N -3.13 2.96 0.14 0.50 1.01 0.69 -4.60 120.40 117.98 2eed s VAL 14 Ca 0.03 0.79 0.04 0.00 0.00 0.00 0.00 61.98 62.84 2eed s VAL 14 Cb 0.07 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2eed s VAL 14 CO 0.75 0.06 -0.10 0.42 0.00 0.00 0.00 175.10 176.22 2eed s THR 15 N -1.41 1.12 -0.00 3.92 -4.23 -1.18 -4.63 115.64 109.23 2eed s THR 15 Ca 0.60 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2eed s THR 15 Cb -0.32 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.71 2eed s THR 15 CO 0.40 -0.74 -0.08 -0.94 -0.54 0.00 0.00 174.62 172.72 2eed s SER 16 N -3.09 0.95 0.37 3.99 1.04 -1.26 -1.67 113.70 114.03 2eed s SER 16 Ca 0.15 -0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.44 2eed s SER 16 Cb 0.02 -0.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 2eed s SER 16 CO 0.00 0.07 0.06 -1.59 0.98 0.00 0.00 173.24 172.77 2eed s LYS 17 N -0.32 1.80 0.00 4.02 -2.85 -0.27 -5.00 119.74 117.12 2eed s LYS 17 Ca 0.02 -2.04 0.00 0.00 -1.00 0.00 0.00 55.97 52.95 2eed s LYS 17 Cb -0.04 -0.98 0.00 0.00 -2.06 0.00 0.00 37.83 34.75 2eed s LYS 17 CO -0.00 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.62 2eed n GLY 18 N -0.82 -0.81 0.09 0.59 0.00 -1.26 -2.59 105.19 100.39 2eed n GLY 18 Ca -0.05 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 2eed n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eed n ALA 19 N -0.45 1.59 -0.34 4.61 0.00 -1.25 -4.47 120.51 120.19 2eed n ALA 19 Ca 0.00 -0.88 0.37 0.00 0.00 0.00 0.00 53.44 52.93 2eed n ALA 19 Cb 0.00 0.02 0.71 0.00 0.00 0.00 0.00 19.45 20.19 2eed n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2eed h GLY 20 N 1.83 0.00 1.78 0.00 0.00 -1.66 1.22 103.07 106.25 2eed h GLY 20 Ca -0.43 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.71 2eed h GLY 20 CO -0.05 0.00 -0.84 1.41 0.00 0.00 0.00 176.54 177.07 2eed h LEU 21 N 0.00 0.25 0.00 3.11 3.38 -1.86 -3.36 115.31 116.83 2eed h LEU 21 Ca 0.60 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 2eed h LEU 21 Cb 2.60 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 43.27 2eed h LEU 21 CO -0.01 0.98 -0.50 -1.28 0.09 0.00 0.00 178.44 177.72 2eed h SER 22 N 0.12 0.00 -4.38 -0.43 0.87 0.11 -3.40 113.55 106.43 2eed h SER 22 Ca -0.04 -0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.13 2eed h SER 22 Cb 1.45 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 63.19 2eed h SER 22 CO 0.13 0.92 -0.13 -1.59 -0.53 0.00 0.00 176.83 175.63 2eed s LYS 23 N -2.10 0.67 0.35 2.24 -2.85 0.63 -3.40 119.74 115.28 2eed s LYS 23 Ca -0.16 0.37 0.08 0.00 -1.00 0.00 0.00 55.97 55.26 2eed s LYS 23 Cb 0.02 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 2eed s LYS 23 CO 0.34 -0.14 0.18 0.00 0.10 0.00 0.00 175.35 175.83 2eed s ALA 24 N -0.41 3.59 -0.10 0.59 0.00 -1.18 -3.81 121.76 120.45 2eed s ALA 24 Ca -0.05 -1.82 -0.00 0.00 0.00 0.00 0.00 51.96 50.08 2eed s ALA 24 Cb -0.03 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.31 2eed s ALA 24 CO 0.03 0.00 -0.06 -0.06 0.00 0.00 0.00 175.76 175.68 2eed s PHE 25 N -2.42 1.25 0.27 0.00 0.08 -1.26 -4.01 117.98 111.88 2eed s PHE 25 Ca 0.39 -0.56 -0.27 0.00 0.12 0.00 0.00 56.93 56.61 2eed s PHE 25 Cb -0.03 -1.09 -0.15 0.00 -0.57 0.00 0.00 43.02 41.18 2eed s PHE 25 CO 0.24 -0.44 0.72 0.28 -0.10 0.00 0.00 175.22 175.92 2eed n VAL 26 N 4.87 1.94 0.00 -0.44 0.31 -1.26 -1.43 118.33 122.32 2eed n VAL 26 Ca -0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2eed n VAL 26 Cb 0.50 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 1.65 1.13 3.33 2.92 0.00 -0.06 -4.93 105.19 109.24 2eed n GLY 27 Ca 0.14 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.51 -3.62 1.61 1.13 -0.51 -4.83 117.38 109.66 2eed n GLN 28 Ca 0.00 -0.42 -0.40 0.00 -1.94 0.00 0.00 57.00 54.25 2eed n GLN 28 Cb 0.00 -1.79 -0.09 0.00 0.11 0.00 0.00 30.24 28.47 2eed n GLN 28 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2eed s LYS 29 N -3.60 2.37 -0.09 -1.09 2.20 -1.26 -4.45 119.74 113.82 2eed s LYS 29 Ca 0.58 -1.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.06 2eed s LYS 29 Cb -0.15 -3.84 -0.02 0.00 -1.51 0.00 0.00 37.83 32.31 2eed s LYS 29 CO 0.66 -1.16 1.12 -1.12 -0.36 0.00 0.00 175.35 174.49 2eed s SER 30 N 2.35 7.12 0.08 1.43 0.01 -1.04 -4.92 113.70 118.74 2eed s SER 30 Ca 0.07 1.67 0.07 0.00 1.31 0.00 0.00 55.95 59.07 2eed s SER 30 Cb -0.25 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 2eed s SER 30 CO -0.02 -0.55 -0.18 -0.94 0.41 0.00 0.00 173.24 171.96 2eed s SER 31 N 1.34 2.21 -0.18 2.44 1.04 -1.26 -1.38 113.70 117.92 2eed s SER 31 Ca 0.52 -0.64 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 2eed s SER 31 Cb -0.21 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.84 2eed s SER 31 CO 0.19 0.02 0.47 0.72 0.98 0.00 0.00 173.24 175.62 2eed s PHE 32 N -1.15 -0.57 -0.12 5.02 -0.12 -0.88 -3.79 117.98 116.38 2eed s PHE 32 Ca 0.04 1.32 -0.06 0.00 -0.05 0.00 0.00 56.93 58.17 2eed s PHE 32 Cb -0.10 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 2eed s PHE 32 CO 0.03 -0.29 0.10 -1.17 -0.05 0.00 0.00 175.22 173.84 2eed s LEU 33 N 0.63 4.15 -0.20 -1.99 1.98 -1.07 -2.68 118.68 119.50 2eed s LEU 33 Ca -0.03 0.36 0.01 0.00 -2.89 0.00 0.00 54.13 51.59 2eed s LEU 33 Cb -0.05 -2.00 0.04 0.00 0.66 0.00 0.00 46.19 44.84 2eed s LEU 33 CO -0.04 0.39 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.98 2eed s VAL 34 N -0.90 1.90 0.02 1.68 1.01 -1.08 -1.11 120.40 121.91 2eed s VAL 34 Ca 0.14 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 2eed s VAL 34 Cb -0.12 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2eed s VAL 34 CO 0.03 0.26 0.76 -0.62 0.00 0.00 0.00 175.10 175.53 2eed s ASP 35 N 1.29 7.16 -0.04 3.32 -1.08 -0.67 -2.49 116.67 124.18 2eed s ASP 35 Ca -0.01 1.39 0.05 0.00 -0.52 0.00 0.00 52.55 53.47 2eed s ASP 35 Cb -0.16 -2.46 0.08 0.00 -1.46 0.00 0.00 42.92 38.93 2eed s ASP 35 CO -0.09 -0.03 0.95 0.00 0.52 0.00 0.00 175.17 176.52 2eed h SER 37 N 0.00 -0.25 -0.67 0.00 0.87 -1.88 -2.90 113.55 108.73 2eed h SER 37 Ca 0.00 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 60.76 2eed h SER 37 Cb 0.87 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 2eed h SER 37 CO 0.00 -0.14 0.52 0.07 -0.53 0.00 0.00 176.83 176.75 2eed h LYS 38 N -0.36 0.00 0.64 2.24 2.10 -1.89 -2.26 116.57 117.04 2eed h LYS 38 Ca -0.03 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2eed h LYS 38 Cb 0.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2eed h LYS 38 CO 0.05 0.00 -0.43 0.00 -2.00 0.00 0.00 179.45 177.07 2eed h ALA 39 N 1.59 -1.20 0.00 0.07 0.00 -1.79 -3.48 119.26 114.45 2eed h ALA 39 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2eed h ALA 39 Cb 1.36 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2eed h ALA 39 CO -0.00 -1.17 0.00 0.41 0.00 0.00 0.00 179.25 178.48 2eed n GLY 40 N -1.53 -0.28 3.30 0.00 0.00 -0.85 -3.37 105.19 102.46 2eed n GLY 40 Ca -0.12 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2eed n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eed s SER 41 N -4.00 -0.95 0.10 1.61 0.15 -1.12 -4.88 113.70 104.61 2eed s SER 41 Ca 0.00 0.86 -0.25 0.00 0.70 0.00 0.00 55.95 57.25 2eed s SER 41 Cb 0.00 1.90 0.09 0.00 -1.71 0.00 0.00 66.02 66.30 2eed s SER 41 CO 0.00 -0.18 1.12 0.21 1.20 0.00 0.00 173.24 175.59 2eed s ASN 42 N 2.80 -0.03 -0.12 5.45 3.84 -1.26 -4.53 114.94 121.09 2eed s ASN 42 Ca 0.06 -0.44 -0.05 0.00 0.21 0.00 0.00 52.86 52.64 2eed s ASN 42 Cb -0.11 0.36 -0.04 0.00 -0.55 0.00 0.00 41.25 40.91 2eed s ASN 42 CO -0.18 -0.71 0.07 0.00 -2.79 0.00 0.00 177.10 173.49 2eed s MET 43 N -2.34 3.33 -0.30 0.43 0.23 -1.26 -4.99 119.30 114.40 2eed s MET 43 Ca 0.21 -0.29 -0.17 0.00 -1.03 0.00 0.00 55.69 54.41 2eed s MET 43 Cb -0.01 -3.02 -0.02 0.00 -1.53 0.00 0.00 34.83 30.25 2eed s MET 43 CO 0.02 0.66 0.46 -1.17 -2.03 0.00 0.00 175.02 172.96 2eed s LEU 44 N -0.73 4.17 0.19 0.18 2.96 -1.26 -3.17 118.68 121.01 2eed s LEU 44 Ca 0.12 0.23 0.11 0.00 -0.22 0.00 0.00 54.13 54.36 2eed s LEU 44 Cb -0.12 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 2eed s LEU 44 CO 0.03 -0.32 -0.20 -1.48 -1.32 0.00 0.00 176.35 173.05 2eed s LEU 45 N 2.25 2.57 0.14 -0.68 0.05 -1.20 -5.07 118.68 116.73 2eed s LEU 45 Ca 0.18 -0.78 0.10 0.00 0.05 0.00 0.00 54.13 53.68 2eed s LEU 45 Cb -0.16 -1.30 -0.04 0.00 -2.05 0.00 0.00 46.19 42.64 2eed s LEU 45 CO 0.11 0.12 -0.25 -0.63 -0.55 0.00 0.00 176.35 175.15 2eed s ILE 46 N -1.64 2.15 -0.35 1.48 -1.09 -1.26 -2.78 121.20 117.70 2eed s ILE 46 Ca 0.21 -1.79 0.15 0.00 -2.23 0.00 0.00 60.65 56.99 2eed s ILE 46 Cb -0.08 -1.93 0.43 0.00 -1.58 0.00 0.00 42.46 39.29 2eed s ILE 46 CO 0.11 -0.01 0.93 0.61 -1.23 0.00 0.00 174.94 175.35 2eed n GLY 47 N 0.77 2.57 3.55 6.18 0.00 -1.07 -5.02 105.19 112.16 2eed n GLY 47 Ca -0.17 -1.59 -0.56 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.05 0.00 -4.14 1.61 0.24 -1.26 -4.59 118.33 110.15 2eed n VAL 48 Ca 0.16 -0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.16 2eed n VAL 48 Cb 0.76 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.66 2eed n VAL 48 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2eed s HIS 49 N 0.31 2.97 -0.76 6.34 2.46 -1.26 -5.04 115.29 120.31 2eed s HIS 49 Ca 0.88 -0.04 0.03 0.00 0.47 0.00 0.00 55.06 56.40 2eed s HIS 49 Cb -1.13 -1.52 0.31 0.00 -0.13 0.00 0.00 32.58 30.11 2eed s HIS 49 CO 0.53 0.48 1.17 0.41 -2.47 0.00 0.00 174.74 174.86 2eed n GLY 50 N 0.51 5.50 0.20 1.59 0.00 -1.26 -4.72 105.19 107.01 2eed n GLY 50 Ca -0.11 -2.73 0.06 0.00 0.00 0.00 0.00 46.02 43.25 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 3.85 0.00 0.00 1.61 0.13 -1.95 -3.39 132.00 132.25 2eed h PRO 51 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2eed h PRO 51 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2eed h PRO 51 CO 0.97 0.33 -0.56 0.25 -0.23 0.00 0.00 178.00 178.76 2eed n THR 52 N -3.68 0.00 -3.64 1.56 -2.24 -1.26 -5.09 114.28 99.92 2eed n THR 52 Ca -0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 2eed n THR 52 Cb 0.44 -0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 2eed n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2eed s THR 53 N -1.63 -0.13 0.52 4.28 2.01 -1.26 -5.15 115.64 114.28 2eed s THR 53 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2eed s THR 53 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 2eed s THR 53 CO 0.00 0.00 1.14 -2.16 -0.69 0.00 0.00 174.62 172.91 2eed s PRO 54 N 1.81 3.47 0.48 4.92 0.04 -1.26 -4.73 135.00 139.73 2eed s PRO 54 Ca -0.09 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 2eed s PRO 54 Cb -0.06 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 2eed s PRO 54 CO -0.20 -0.76 0.92 0.00 0.04 0.00 0.00 177.00 177.00 2eed h GLU 56 N 1.06 0.92 -2.01 0.00 4.39 -0.89 -3.48 114.58 114.57 2eed h GLU 56 Ca -0.47 -0.14 0.27 0.00 0.34 0.00 0.00 59.36 59.36 2eed h GLU 56 Cb 1.18 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.59 2eed h GLU 56 CO 0.62 0.74 0.73 -1.83 -1.16 0.00 0.00 179.01 178.11 2eed s GLU 57 N -5.69 0.75 -0.23 2.33 -1.05 -1.26 -5.00 118.70 108.54 2eed s GLU 57 Ca -0.13 -0.45 -0.04 0.00 -0.15 0.00 0.00 54.97 54.20 2eed s GLU 57 Cb 0.13 0.23 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 2eed s GLU 57 CO 0.79 -0.35 0.11 0.08 0.95 0.00 0.00 175.26 176.84 2eed s VAL 58 N -2.43 -0.03 -0.47 1.83 1.01 -1.26 -3.67 120.40 115.37 2eed s VAL 58 Ca 0.19 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 2eed s VAL 58 Cb 0.01 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.63 2eed s VAL 58 CO 0.00 -0.50 0.59 -0.44 0.00 0.00 0.00 175.10 174.75 2eed s SER 59 N 2.10 6.24 -0.21 3.32 0.01 -0.39 -4.97 113.70 119.79 2eed s SER 59 Ca 0.05 -0.73 -0.03 0.00 1.31 0.00 0.00 55.95 56.55 2eed s SER 59 Cb -0.16 -2.28 -0.00 0.00 0.21 0.00 0.00 66.02 63.78 2eed s SER 59 CO -0.22 -0.80 -0.07 -0.04 0.41 0.00 0.00 173.24 172.52 2eed s MET 60 N 2.57 3.32 -0.02 12.44 -1.94 -1.26 -1.70 119.30 132.71 2eed s MET 60 Ca 0.16 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2eed s MET 60 Cb -0.18 -2.93 0.01 0.00 2.01 0.00 0.00 34.83 33.74 2eed s MET 60 CO 0.14 -0.18 -0.04 0.15 -0.01 0.00 0.00 175.02 175.08 2eed s LYS 61 N 1.40 0.56 -1.21 2.03 -0.14 -0.15 -5.01 119.74 117.22 2eed s LYS 61 Ca 0.05 -0.12 -0.13 0.00 -1.36 0.00 0.00 55.97 54.42 2eed s LYS 61 Cb -0.14 -0.59 0.18 0.00 -1.68 0.00 0.00 37.83 35.60 2eed s LYS 61 CO -0.04 0.00 1.48 1.58 -0.76 0.00 0.00 175.35 177.61 2eed n HIS 62 N 3.55 4.68 0.33 3.18 -0.00 -1.26 -0.21 115.22 125.49 2eed n HIS 62 Ca -0.20 -3.31 0.09 0.00 -0.00 0.00 0.00 57.72 54.30 2eed n HIS 62 Cb 0.54 -2.11 0.48 0.00 -0.00 0.00 0.00 29.99 28.90 2eed n HIS 62 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 2eed h VAL 63 N 4.43 0.00 0.00 3.57 -1.51 -1.89 -3.47 116.25 117.38 2eed h VAL 63 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 2eed h VAL 63 Cb 0.83 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 2eed h VAL 63 CO 1.28 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.23 2eed n GLY 64 N -1.33 -1.43 3.01 5.19 0.00 -1.14 -4.96 105.19 104.52 2eed n GLY 64 Ca -0.01 -2.10 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.39 -1.67 1.61 5.03 -1.26 0.22 115.26 114.80 2eed n ASN 65 Ca 0.00 -0.20 -0.16 0.00 0.87 0.00 0.00 54.58 55.09 2eed n ASN 65 Cb 0.00 -3.63 -0.03 0.00 -1.02 0.00 0.00 39.78 35.10 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2eed n GLN 66 N -3.54 -1.25 -5.11 3.52 1.13 -1.26 -4.82 117.38 106.05 2eed n GLN 66 Ca -0.08 0.89 -0.32 0.00 -1.94 0.00 0.00 57.00 55.55 2eed n GLN 66 Cb 0.58 -5.22 -0.16 0.00 0.11 0.00 0.00 30.24 25.55 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 -4.35 2.86 -0.22 -1.09 -0.21 0.13 -0.92 119.66 115.87 2eed s GLN 67 Ca 0.00 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.57 2eed s GLN 67 Cb 0.00 -2.32 0.04 0.00 1.00 0.00 0.00 33.01 31.73 2eed s GLN 67 CO 0.00 0.32 -0.15 0.71 -2.12 0.00 0.00 175.29 174.05 2eed s TYR 68 N 0.02 2.96 -0.38 0.91 1.51 -1.04 -2.82 117.35 118.52 2eed s TYR 68 Ca -0.08 -1.94 -0.23 0.00 -1.01 0.00 0.00 57.07 53.81 2eed s TYR 68 Cb -0.15 -1.90 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 2eed s TYR 68 CO 0.05 -0.83 0.75 1.21 -1.11 0.00 0.00 175.55 175.62 2eed s ASN 69 N 1.22 6.50 -0.19 2.29 3.04 0.71 -2.64 114.94 125.85 2eed s ASN 69 Ca -0.02 0.21 0.01 0.00 0.04 0.00 0.00 52.86 53.10 2eed s ASN 69 Cb -0.16 -2.38 0.04 0.00 -1.54 0.00 0.00 41.25 37.21 2eed s ASN 69 CO -0.09 -0.74 -0.10 -0.69 -3.04 0.00 0.00 177.10 172.43 2eed s VAL 70 N 3.06 1.61 -0.03 -5.21 1.01 -1.09 -0.98 120.40 118.77 2eed s VAL 70 Ca 0.29 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2eed s VAL 70 Cb -0.13 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2eed s VAL 70 CO 0.18 0.19 -0.18 -0.89 0.00 0.00 0.00 175.10 174.40 2eed s THR 71 N 1.42 1.46 0.36 3.92 2.01 -0.69 -2.06 115.64 122.05 2eed s THR 71 Ca -0.01 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.26 2eed s THR 71 Cb -0.16 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2eed s THR 71 CO -0.08 0.41 0.12 -0.72 -0.69 0.00 0.00 174.62 173.66 2eed s TYR 72 N -0.25 1.78 -0.03 4.92 -0.85 -0.48 -1.27 117.35 121.18 2eed s TYR 72 Ca 0.03 -1.22 -0.01 0.00 -0.52 0.00 0.00 57.07 55.35 2eed s TYR 72 Cb -0.09 -1.13 0.03 0.00 0.38 0.00 0.00 41.96 41.16 2eed s TYR 72 CO 0.00 -0.27 0.05 0.08 -1.52 0.00 0.00 175.55 173.90 2eed s VAL 73 N -3.32 -0.07 -0.11 -3.49 1.01 -1.24 -2.48 120.40 110.69 2eed s VAL 73 Ca 0.29 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 2eed s VAL 73 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 2eed s VAL 73 CO 0.15 0.10 -0.03 0.68 0.00 0.00 0.00 175.10 176.00 2eed s VAL 74 N 1.28 3.97 -0.10 2.92 -7.23 -1.26 -0.10 120.40 119.87 2eed s VAL 74 Ca -0.07 -0.36 0.15 0.00 -1.81 0.00 0.00 61.98 59.90 2eed s VAL 74 Cb -0.13 -2.69 -0.20 0.00 0.56 0.00 0.00 36.38 33.92 2eed s VAL 74 CO -0.04 0.55 0.62 1.17 -0.31 0.00 0.00 175.10 177.10 2eed n LYS 75 N 2.77 0.64 -4.39 4.82 3.00 -1.26 -0.88 118.16 122.86 2eed n LYS 75 Ca -0.18 0.20 -0.25 0.00 -0.00 0.00 0.00 58.31 58.08 2eed n LYS 75 Cb 0.53 -1.75 -0.09 0.00 0.00 0.00 0.00 35.03 33.72 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 -2.74 2.03 0.57 1.64 2.12 -1.26 -4.73 118.70 116.33 2eed s GLU 76 Ca -0.05 -1.86 0.07 0.00 0.36 0.00 0.00 54.97 53.50 2eed s GLU 76 Cb 0.08 -1.85 0.06 0.00 0.26 0.00 0.00 34.13 32.69 2eed s GLU 76 CO 0.82 0.07 0.58 -0.98 -0.54 0.00 0.00 175.26 175.21 2eed s ARG 77 N -3.72 2.25 0.00 4.30 1.70 -1.26 -4.75 118.95 117.47 2eed s ARG 77 Ca 0.35 -1.89 0.00 0.00 -0.47 0.00 0.00 55.73 53.72 2eed s ARG 77 Cb 0.03 -2.32 0.00 0.00 -0.57 0.00 0.00 34.95 32.09 2eed s ARG 77 CO 0.19 -0.76 0.00 0.41 -1.08 0.00 0.00 175.30 174.06 2eed n GLY 78 N -1.99 0.52 3.58 3.88 0.00 -1.22 -4.98 105.19 104.98 2eed n GLY 78 Ca 0.06 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 2eed n GLY 78 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2eed s ASP 79 N -4.00 6.58 0.08 1.61 -4.77 -1.26 -2.37 116.67 112.54 2eed s ASP 79 Ca 0.00 0.34 0.02 0.00 -3.30 0.00 0.00 52.55 49.62 2eed s ASP 79 Cb 0.00 -2.44 -0.04 0.00 -1.09 0.00 0.00 42.92 39.35 2eed s ASP 79 CO 0.00 -0.90 0.12 -0.31 0.70 0.00 0.00 175.17 174.78 2eed s TYR 80 N 3.48 3.27 -0.19 2.11 1.51 0.00 -4.73 117.35 122.81 2eed s TYR 80 Ca 0.36 0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 2eed s TYR 80 Cb -0.12 -1.64 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2eed s TYR 80 CO 0.21 0.54 -0.18 0.08 -1.11 0.00 0.00 175.55 175.09 2eed s VAL 81 N -1.45 2.19 -0.21 0.71 1.01 -1.26 -1.81 120.40 119.57 2eed s VAL 81 Ca 0.31 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 2eed s VAL 81 Cb -0.12 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2eed s VAL 81 CO 0.24 0.48 0.12 -0.22 0.00 0.00 0.00 175.10 175.72 2eed s LEU 82 N 1.29 4.07 -0.25 3.92 2.96 -1.01 -4.07 118.68 125.58 2eed s LEU 82 Ca 0.04 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2eed s LEU 82 Cb -0.14 -2.06 0.03 0.00 0.50 0.00 0.00 46.19 44.51 2eed s LEU 82 CO -0.11 0.13 -0.06 0.00 -1.32 0.00 0.00 176.35 174.99 2eed s ALA 83 N 0.65 2.71 -0.20 5.97 0.00 -1.26 -1.34 121.76 128.29 2eed s ALA 83 Ca 0.07 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2eed s ALA 83 Cb -0.12 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.33 2eed s ALA 83 CO 0.01 -0.81 -0.18 0.08 0.00 0.00 0.00 175.76 174.86 2eed s VAL 84 N 1.33 2.09 0.12 0.00 1.01 -1.26 -2.61 120.40 121.08 2eed s VAL 84 Ca 0.00 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 60.97 2eed s VAL 84 Cb -0.17 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2eed s VAL 84 CO -0.04 0.43 -0.03 -0.54 0.00 0.00 0.00 175.10 174.92 2eed s LYS 85 N 1.25 2.39 -0.38 2.72 1.02 -1.12 -2.41 119.74 123.22 2eed s LYS 85 Ca 0.02 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 55.04 2eed s LYS 85 Cb -0.14 -2.42 0.12 0.00 -0.52 0.00 0.00 37.83 34.87 2eed s LYS 85 CO -0.11 0.50 0.18 -0.46 -0.92 0.00 0.00 175.35 174.54 2eed s TRP 86 N -1.43 1.73 -0.67 3.18 -0.11 -0.36 -3.25 118.94 118.04 2eed s TRP 86 Ca 0.25 -2.07 -0.06 0.00 1.22 0.00 0.00 56.10 55.45 2eed s TRP 86 Cb -0.11 -1.71 0.01 0.00 -1.50 0.00 0.00 33.47 30.16 2eed s TRP 86 CO 0.17 -0.83 0.66 0.41 -4.62 0.00 0.00 176.95 172.75 2eed n GLY 87 N 4.12 -1.19 3.72 5.86 0.00 -1.19 -3.19 105.19 113.32 2eed n GLY 87 Ca 0.05 0.70 -0.26 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.51 -6.70 -3.96 1.61 1.02 -1.26 -4.96 120.64 104.87 2eed n GLU 88 Ca -0.03 0.72 -0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2eed n GLU 88 Cb 0.53 -5.68 -0.01 0.00 -0.02 0.00 0.00 31.44 26.26 2eed n GLU 88 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2eed s GLU 89 N -6.35 2.07 -0.18 3.49 2.02 -1.19 -5.15 118.70 113.41 2eed s GLU 89 Ca 0.54 -1.62 -0.02 0.00 0.02 0.00 0.00 54.97 53.89 2eed s GLU 89 Cb -0.25 0.53 0.05 0.00 0.10 0.00 0.00 34.13 34.56 2eed s GLU 89 CO 0.78 -0.91 -0.00 -1.01 0.02 0.00 0.00 175.26 174.13 2eed s HIS 90 N -2.69 1.36 0.53 1.61 3.76 -1.26 -1.22 115.29 117.38 2eed s HIS 90 Ca 0.24 -0.99 -0.18 0.00 -0.15 0.00 0.00 55.06 53.98 2eed s HIS 90 Cb -0.03 -1.16 -0.12 0.00 1.11 0.00 0.00 32.58 32.39 2eed s HIS 90 CO 0.16 -0.61 0.19 0.44 -0.85 0.00 0.00 174.74 174.07 2eed n ILE 91 N 4.96 1.08 -2.05 0.60 -5.35 -1.01 -4.75 119.36 112.84 2eed n ILE 91 Ca -0.10 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.58 2eed n ILE 91 Cb 0.47 -0.33 -0.04 0.00 -1.74 0.00 0.00 39.64 38.00 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 -1.52 2.58 0.00 6.28 0.04 -1.26 -2.65 135.00 138.46 2eed s PRO 92 Ca 0.63 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2eed s PRO 92 Cb -0.47 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2eed s PRO 92 CO 0.60 -3.19 0.00 0.41 0.04 0.00 0.00 177.00 174.86 2eed n GLY 93 N 6.52 0.39 3.92 0.56 0.00 -1.26 -5.03 105.19 110.29 2eed n GLY 93 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 6.39 0.26 1.61 0.15 -1.09 -3.48 113.70 117.54 2eed s SER 94 Ca 0.00 0.37 -0.30 0.00 0.70 0.00 0.00 55.95 56.73 2eed s SER 94 Cb 0.00 -2.00 -0.09 0.00 -1.71 0.00 0.00 66.02 62.22 2eed s SER 94 CO 0.00 0.03 1.26 -2.16 1.20 0.00 0.00 173.24 173.57 2eed s PRO 95 N -3.05 4.43 0.35 5.44 0.04 -1.26 -4.94 135.00 136.01 2eed s PRO 95 Ca 0.38 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 63.26 2eed s PRO 95 Cb -0.12 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 2eed s PRO 95 CO 0.28 -0.13 0.87 -0.06 0.04 0.00 0.00 177.00 178.00 2eed s PHE 96 N -0.56 3.47 -0.58 0.56 0.08 -0.45 -4.88 117.98 115.62 2eed s PHE 96 Ca 0.52 1.55 -0.15 0.00 0.12 0.00 0.00 56.93 58.97 2eed s PHE 96 Cb -0.37 -2.78 0.14 0.00 -0.57 0.00 0.00 43.02 39.45 2eed s PHE 96 CO 0.44 0.08 0.53 -1.58 -0.10 0.00 0.00 175.22 174.58 2eed s HIS 97 N -1.90 3.36 -0.21 0.36 5.65 -1.26 -2.42 115.29 118.87 2eed s HIS 97 Ca 0.55 -1.49 -0.14 0.00 0.25 0.00 0.00 55.06 54.22 2eed s HIS 97 Cb -0.13 -3.76 -0.04 0.00 -1.18 0.00 0.00 32.58 27.47 2eed s HIS 97 CO 0.18 -1.01 0.34 0.08 -0.65 0.00 0.00 174.74 173.67 2eed s VAL 98 N 1.31 5.24 -0.20 0.89 1.01 -0.75 -4.78 120.40 123.13 2eed s VAL 98 Ca 0.06 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 2eed s VAL 98 Cb -0.26 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2eed s VAL 98 CO 0.01 0.29 -0.01 -0.89 0.00 0.00 0.00 175.10 174.49 2eed s THR 99 N 1.17 3.82 -0.25 3.92 2.01 -1.22 -0.82 115.64 124.27 2eed s THR 99 Ca 0.16 -0.36 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 2eed s THR 99 Cb -0.14 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 2eed s THR 99 CO 0.07 0.43 0.10 -0.69 -0.69 0.00 0.00 174.62 173.83 2eed s VAL 100 N 1.07 4.54 -2.00 3.82 1.01 -1.00 -3.10 120.40 124.74 2eed s VAL 100 Ca 0.02 -0.09 0.16 0.00 0.00 0.00 0.00 61.98 62.06 2eed s VAL 100 Cb -0.14 -3.13 0.44 0.00 0.00 0.00 0.00 36.38 33.55 2eed s VAL 100 CO 0.01 0.32 1.34 -0.81 0.00 0.00 0.00 175.10 175.97