#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 0.93 0.03 1.61 0.01 -1.26 -5.04 113.70 109.98 2eed s SER 2 Ca 0.00 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2eed s SER 2 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2eed s SER 2 CO 0.00 0.07 0.00 -1.54 0.41 0.00 0.00 173.24 172.18 2eed n SER 3 N 2.72 0.15 0.00 2.44 3.41 -1.26 -5.17 113.62 115.91 2eed n SER 3 Ca -0.14 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2eed n SER 3 Cb 0.57 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2eed n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eed n GLY 4 N 2.72 2.91 3.53 5.00 0.00 -1.26 -5.04 105.19 113.06 2eed n GLY 4 Ca 0.00 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 2eed n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eed s SER 5 N 0.00 5.69 -0.49 1.61 0.15 -1.26 -5.02 113.70 114.38 2eed s SER 5 Ca 0.00 -0.10 -0.47 0.00 0.70 0.00 0.00 55.95 56.09 2eed s SER 5 Cb 0.00 -2.05 -0.20 0.00 -1.71 0.00 0.00 66.02 62.07 2eed s SER 5 CO 0.00 -0.05 1.61 -1.54 1.20 0.00 0.00 173.24 174.46 2eed n SER 6 N 5.01 1.26 0.00 5.45 3.41 -1.26 -4.87 113.62 122.62 2eed n SER 6 Ca -0.15 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 2eed n SER 6 Cb 0.52 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2eed n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eed n GLY 7 N 4.02 4.25 3.29 5.00 0.00 -1.26 -5.13 105.19 115.36 2eed n GLY 7 Ca 0.31 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 1.00 4.26 -0.22 1.61 0.01 -1.26 -5.08 113.70 114.02 2eed s SER 8 Ca 0.00 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 2eed s SER 8 Cb 0.00 -1.72 0.06 0.00 0.21 0.00 0.00 66.02 64.57 2eed s SER 8 CO 0.00 -0.04 -0.00 -0.94 0.41 0.00 0.00 173.24 172.67 2eed s SER 9 N 1.45 3.43 -0.11 2.44 1.04 -1.26 -4.32 113.70 116.37 2eed s SER 9 Ca 0.05 -1.05 -0.05 0.00 0.48 0.00 0.00 55.95 55.38 2eed s SER 9 Cb -0.15 -0.90 -0.04 0.00 0.10 0.00 0.00 66.02 65.04 2eed s SER 9 CO -0.04 -0.28 0.08 -0.62 0.98 0.00 0.00 173.24 173.37 2eed s ASP 10 N 1.62 5.91 -0.15 7.02 -1.08 -1.18 -5.00 116.67 123.81 2eed s ASP 10 Ca -0.03 0.32 -0.19 0.00 -0.52 0.00 0.00 52.55 52.13 2eed s ASP 10 Cb -0.18 -1.85 -0.24 0.00 -1.46 0.00 0.00 42.92 39.19 2eed s ASP 10 CO -0.08 0.38 0.44 0.00 0.52 0.00 0.00 175.17 176.43 2eed h ALA 11 N 5.21 0.21 0.00 3.66 0.00 -1.91 -3.32 119.26 123.10 2eed h ALA 11 Ca -0.52 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.31 2eed h ALA 11 Cb 1.21 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2eed h ALA 11 CO 0.58 0.72 0.39 0.77 0.00 0.00 0.00 179.25 181.71 2eed h SER 12 N -0.62 0.00 0.57 0.00 0.02 -1.94 0.52 113.55 112.10 2eed h SER 12 Ca -0.29 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.37 2eed h SER 12 Cb 1.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 2eed h SER 12 CO -0.05 0.00 -1.47 0.11 -1.14 0.00 0.00 176.83 174.28 2eed h LYS 13 N 0.00 0.13 -6.55 3.45 1.79 -1.93 -3.45 116.57 110.00 2eed h LYS 13 Ca 0.00 -0.22 -0.56 0.00 -2.18 0.00 0.00 60.65 57.68 2eed h LYS 13 Cb 0.77 0.08 0.06 0.00 -1.58 0.00 0.00 32.23 31.57 2eed h LYS 13 CO 0.00 0.93 0.87 0.28 -1.08 0.00 0.00 179.45 180.45 2eed n VAL 14 N -3.33 0.00 -4.58 0.50 0.31 0.18 -4.60 118.33 106.82 2eed n VAL 14 Ca -0.13 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.90 2eed n VAL 14 Cb 1.02 -1.68 -0.13 0.00 -0.91 0.00 0.00 33.84 32.14 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 1.00 2.55 0.01 2.52 -4.23 -0.55 -4.62 115.64 112.32 2eed s THR 15 Ca 0.78 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.90 2eed s THR 15 Cb -0.62 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 2eed s THR 15 CO 0.36 0.24 -0.11 -0.94 -0.54 0.00 0.00 174.62 173.63 2eed s SER 16 N -1.69 1.31 0.31 3.99 1.04 -1.26 0.88 113.70 118.27 2eed s SER 16 Ca 0.15 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.30 2eed s SER 16 Cb -0.10 -0.11 -0.05 0.00 0.10 0.00 0.00 66.02 65.86 2eed s SER 16 CO 0.06 0.06 0.10 -1.59 0.98 0.00 0.00 173.24 172.85 2eed s LYS 17 N -0.66 1.58 0.00 4.02 -2.85 0.39 -5.00 119.74 117.22 2eed s LYS 17 Ca 0.02 -1.89 0.00 0.00 -1.00 0.00 0.00 55.97 53.10 2eed s LYS 17 Cb -0.06 -0.44 0.00 0.00 -2.06 0.00 0.00 37.83 35.27 2eed s LYS 17 CO 0.00 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.54 2eed n GLY 18 N -0.61 2.45 0.05 0.59 0.00 -1.26 -1.57 105.19 104.84 2eed n GLY 18 Ca -0.01 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 1.01 2.54 0.87 4.61 0.00 -1.26 -3.55 120.51 124.74 2eed n ALA 19 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.38 2eed n ALA 19 Cb 0.00 -1.38 0.39 0.00 0.00 0.00 0.00 19.45 18.45 2eed n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eed n GLY 20 N 1.40 -0.44 0.00 0.00 0.00 -1.08 -1.58 105.19 103.50 2eed n GLY 20 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2eed n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eed n LEU 21 N -0.97 1.01 -0.03 0.99 4.77 -1.23 -4.66 117.00 116.89 2eed n LEU 21 Ca 0.10 -1.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.05 2eed n LEU 21 Cb 0.04 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2eed n LEU 21 CO 0.07 0.25 -0.71 -1.54 -1.33 0.00 0.00 177.39 174.14 2eed n SER 22 N 0.00 3.19 -3.69 -1.43 3.41 -0.62 -4.71 113.62 109.77 2eed n SER 22 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.63 2eed n SER 22 Cb 0.00 0.84 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 2eed n SER 22 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2eed s LYS 23 N -2.26 0.51 0.07 4.33 -2.85 -0.78 -4.01 119.74 114.74 2eed s LYS 23 Ca -0.03 -0.31 -0.13 0.00 -1.00 0.00 0.00 55.97 54.49 2eed s LYS 23 Cb 0.03 0.15 0.02 0.00 -2.06 0.00 0.00 37.83 35.97 2eed s LYS 23 CO 0.31 -0.24 0.30 0.00 0.10 0.00 0.00 175.35 175.82 2eed s ALA 24 N -2.21 -0.64 -0.03 0.59 0.00 -1.13 -4.29 121.76 114.05 2eed s ALA 24 Ca 0.23 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.12 2eed s ALA 24 Cb 0.01 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 2eed s ALA 24 CO -0.01 -0.47 -0.20 -0.06 0.00 0.00 0.00 175.76 175.01 2eed s PHE 25 N -3.04 1.89 0.03 0.00 0.40 -1.26 -3.93 117.98 112.07 2eed s PHE 25 Ca -0.02 -0.45 -0.32 0.00 -0.60 0.00 0.00 56.93 55.54 2eed s PHE 25 Cb 0.01 -1.24 -0.11 0.00 0.51 0.00 0.00 43.02 42.19 2eed s PHE 25 CO -0.06 -0.10 1.85 0.28 0.70 0.00 0.00 175.22 177.88 2eed n VAL 26 N 2.82 0.48 0.00 -0.44 0.31 -1.26 -2.50 118.33 117.74 2eed n VAL 26 Ca -0.16 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2eed n VAL 26 Cb 0.53 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 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 4.25 2.37 3.58 2.92 0.00 0.07 -5.00 105.19 113.39 2eed n GLY 27 Ca 0.20 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 0.83 -3.13 1.61 6.02 -1.04 -4.79 117.38 116.88 2eed n GLN 28 Ca 0.00 0.32 -0.44 0.00 -0.01 0.00 0.00 57.00 56.87 2eed n GLN 28 Cb 0.00 -2.06 -0.06 0.00 1.02 0.00 0.00 30.24 29.14 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 -2.57 3.12 0.02 -1.09 2.20 -1.26 -4.54 119.74 115.62 2eed s LYS 29 Ca 0.74 -0.92 -0.27 0.00 -0.36 0.00 0.00 55.97 55.16 2eed s LYS 29 Cb -0.43 -4.12 -0.05 0.00 -1.51 0.00 0.00 37.83 31.72 2eed s LYS 29 CO 0.49 -1.29 0.84 -1.12 -0.36 0.00 0.00 175.35 173.91 2eed s SER 30 N 2.84 7.25 0.07 1.43 0.01 -1.14 -4.95 113.70 119.21 2eed s SER 30 Ca 0.15 1.51 0.04 0.00 1.31 0.00 0.00 55.95 58.96 2eed s SER 30 Cb -0.19 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 2eed s SER 30 CO 0.11 -0.09 -0.12 -0.94 0.41 0.00 0.00 173.24 172.62 2eed s SER 31 N 0.36 1.41 -0.18 2.44 1.04 -1.26 -1.91 113.70 115.61 2eed s SER 31 Ca 0.43 -0.63 -0.16 0.00 0.48 0.00 0.00 55.95 56.07 2eed s SER 31 Cb -0.21 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 65.94 2eed s SER 31 CO 0.24 -0.14 0.47 0.72 0.98 0.00 0.00 173.24 175.52 2eed s PHE 32 N -1.48 -0.53 0.12 5.02 -0.12 -0.91 -2.65 117.98 117.42 2eed s PHE 32 Ca -0.03 1.28 -0.02 0.00 -0.05 0.00 0.00 56.93 58.11 2eed s PHE 32 Cb -0.09 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.44 2eed s PHE 32 CO 0.01 -0.26 0.31 -1.17 -0.05 0.00 0.00 175.22 174.06 2eed s LEU 33 N 0.34 4.30 -0.18 -1.99 1.98 -0.61 -2.60 118.68 119.91 2eed s LEU 33 Ca -0.01 0.41 -0.02 0.00 -2.89 0.00 0.00 54.13 51.62 2eed s LEU 33 Cb -0.04 -3.13 0.06 0.00 0.66 0.00 0.00 46.19 43.74 2eed s LEU 33 CO -0.00 0.09 0.02 -0.69 -1.89 0.00 0.00 176.35 173.87 2eed s VAL 34 N -1.63 0.62 -0.07 1.68 1.01 -1.08 -0.47 120.40 120.47 2eed s VAL 34 Ca 0.38 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 2eed s VAL 34 Cb -0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2eed s VAL 34 CO 0.27 -0.14 0.78 -0.62 0.00 0.00 0.00 175.10 175.39 2eed s ASP 35 N 1.82 7.06 -0.11 3.32 -1.08 0.25 -2.53 116.67 125.40 2eed s ASP 35 Ca -0.01 1.28 0.18 0.00 -0.52 0.00 0.00 52.55 53.48 2eed s ASP 35 Cb -0.17 -2.45 0.41 0.00 -1.46 0.00 0.00 42.92 39.25 2eed s ASP 35 CO -0.08 -0.19 1.19 0.00 0.52 0.00 0.00 175.17 176.61 2eed h SER 37 N 0.95 -0.10 0.14 0.00 4.64 -1.80 -2.79 113.55 114.59 2eed h SER 37 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2eed h SER 37 Cb 1.42 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2eed h SER 37 CO 0.05 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 2eed n LYS 38 N -3.12 0.04 -0.03 4.77 4.76 -1.26 -2.93 118.16 120.39 2eed n LYS 38 Ca -0.01 0.48 -0.00 0.00 -2.87 0.00 0.00 58.31 55.91 2eed n LYS 38 Cb 0.04 -1.63 -0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2eed n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2eed h ALA 39 N 2.10 0.00 0.00 7.82 0.00 -1.81 -3.48 119.26 123.90 2eed h ALA 39 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2eed h ALA 39 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2eed h ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2eed n GLY 40 N 1.86 -0.75 2.45 0.00 0.00 -1.05 -3.12 105.19 104.57 2eed n GLY 40 Ca -0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 2eed n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eed n SER 41 N 0.00 3.28 -3.86 1.61 3.41 -1.26 -4.55 113.62 112.25 2eed n SER 41 Ca 0.00 -3.01 -0.18 0.00 -0.26 0.00 0.00 58.87 55.42 2eed n SER 41 Cb 0.00 -0.43 0.09 0.00 -0.26 0.00 0.00 64.21 63.61 2eed n SER 41 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2eed n ASN 42 N -0.56 0.94 -4.80 4.04 2.85 -1.26 -5.01 115.26 111.45 2eed n ASN 42 Ca 0.26 -1.81 -0.36 0.00 -0.11 0.00 0.00 54.58 52.56 2eed n ASN 42 Cb 0.85 -0.50 -0.07 0.00 1.24 0.00 0.00 39.78 41.29 2eed n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eed s MET 43 N -4.48 3.76 -0.33 1.20 0.23 -1.26 -4.98 119.30 113.45 2eed s MET 43 Ca 0.50 -0.19 -0.17 0.00 -1.03 0.00 0.00 55.69 54.81 2eed s MET 43 Cb -0.03 -3.27 -0.01 0.00 -1.53 0.00 0.00 34.83 29.99 2eed s MET 43 CO 0.33 0.56 0.46 -1.17 -2.03 0.00 0.00 175.02 173.17 2eed s LEU 44 N -0.39 4.29 0.28 0.18 2.96 -1.26 -3.15 118.68 121.59 2eed s LEU 44 Ca 0.11 0.03 0.12 0.00 -0.22 0.00 0.00 54.13 54.17 2eed s LEU 44 Cb -0.12 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 2eed s LEU 44 CO 0.01 -0.38 -0.17 -1.48 -1.32 0.00 0.00 176.35 173.01 2eed s LEU 45 N 2.25 2.68 0.04 -0.68 0.05 -1.21 -5.08 118.68 116.73 2eed s LEU 45 Ca 0.17 -0.97 0.07 0.00 0.05 0.00 0.00 54.13 53.45 2eed s LEU 45 Cb -0.16 -1.20 -0.02 0.00 -2.05 0.00 0.00 46.19 42.76 2eed s LEU 45 CO 0.12 0.04 -0.21 -0.63 -0.55 0.00 0.00 176.35 175.12 2eed s ILE 46 N -2.47 1.69 -0.42 1.48 -1.09 -1.26 -2.88 121.20 116.25 2eed s ILE 46 Ca 0.30 -1.19 0.10 0.00 -2.23 0.00 0.00 60.65 57.64 2eed s ILE 46 Cb -0.05 -1.47 0.38 0.00 -1.58 0.00 0.00 42.46 39.75 2eed s ILE 46 CO 0.16 0.23 0.90 0.61 -1.23 0.00 0.00 174.94 175.61 2eed n GLY 47 N 1.89 4.02 3.57 6.18 0.00 -0.04 -4.99 105.19 115.82 2eed n GLY 47 Ca -0.17 -2.05 -0.55 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.06 0.24 -3.07 1.61 0.24 -1.26 -4.26 118.33 111.77 2eed n VAL 48 Ca 0.25 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.34 62.08 2eed n VAL 48 Cb 0.63 -1.32 -0.06 0.00 -1.47 0.00 0.00 33.84 31.62 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 5.17 3.55 -0.75 6.34 2.46 -1.21 -4.98 115.29 125.88 2eed s HIS 49 Ca 1.05 1.38 0.03 0.00 0.47 0.00 0.00 55.06 57.98 2eed s HIS 49 Cb -1.03 -2.63 0.32 0.00 -0.13 0.00 0.00 32.58 29.11 2eed s HIS 49 CO 0.60 0.23 1.20 0.41 -2.47 0.00 0.00 174.74 174.71 2eed n GLY 50 N 0.32 5.60 0.20 1.59 0.00 -1.26 -4.61 105.19 107.04 2eed n GLY 50 Ca 0.00 -2.72 -0.05 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 3.70 0.39 0.00 1.61 0.13 -1.94 -3.39 132.00 132.50 2eed h PRO 51 Ca 0.26 -0.20 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 2eed h PRO 51 Cb 0.49 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2eed h PRO 51 CO 0.96 0.76 -1.22 0.25 -0.23 0.00 0.00 178.00 178.53 2eed n THR 52 N -4.00 0.22 -3.64 1.56 -2.24 -1.26 -5.08 114.28 99.84 2eed n THR 52 Ca -0.02 -0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 2eed n THR 52 Cb 0.52 -1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 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 -2.07 -0.00 0.78 4.28 2.01 -1.26 -5.17 115.64 114.20 2eed s THR 53 Ca -0.05 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 2eed s THR 53 Cb 0.02 -0.99 0.06 0.00 0.01 0.00 0.00 72.50 71.60 2eed s THR 53 CO 0.08 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.94 2eed s PRO 54 N 1.24 2.20 0.24 4.92 0.04 -1.26 -4.74 135.00 137.64 2eed s PRO 54 Ca -0.07 1.15 -0.06 0.00 0.04 0.00 0.00 61.00 62.06 2eed s PRO 54 Cb -0.05 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2eed s PRO 54 CO -0.13 -1.68 0.51 0.00 0.04 0.00 0.00 177.00 175.74 2eed h GLU 56 N 2.16 0.83 -1.75 0.00 3.07 -1.91 -3.47 114.58 113.51 2eed h GLU 56 Ca -0.47 -0.13 0.26 0.00 -0.50 0.00 0.00 59.36 58.53 2eed h GLU 56 Cb 1.18 -0.15 -0.12 0.00 -0.84 0.00 0.00 28.75 28.82 2eed h GLU 56 CO 0.68 0.68 0.71 -1.83 -1.40 0.00 0.00 179.01 177.85 2eed s GLU 57 N -5.69 0.64 -0.31 2.33 -1.05 -1.26 -5.04 118.70 108.32 2eed s GLU 57 Ca -0.13 -0.34 -0.02 0.00 -0.15 0.00 0.00 54.97 54.33 2eed s GLU 57 Cb 0.13 0.23 0.10 0.00 -0.44 0.00 0.00 34.13 34.15 2eed s GLU 57 CO 0.78 -0.29 0.11 0.08 0.95 0.00 0.00 175.26 176.89 2eed s VAL 58 N -2.71 0.60 -0.54 1.83 1.01 -1.26 -3.82 120.40 115.50 2eed s VAL 58 Ca 0.13 -1.25 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 2eed s VAL 58 Cb 0.02 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.97 2eed s VAL 58 CO -0.02 -0.70 1.01 -0.55 0.00 0.00 0.00 175.10 174.83 2eed s SER 59 N 1.71 6.40 -0.18 3.32 0.15 -0.05 -4.92 113.70 120.13 2eed s SER 59 Ca 0.10 -0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.60 2eed s SER 59 Cb -0.17 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2eed s SER 59 CO -0.27 -1.27 -0.14 -0.04 1.20 0.00 0.00 173.24 172.71 2eed s MET 60 N 4.20 3.18 0.07 5.44 -1.94 -1.25 -1.26 119.30 127.74 2eed s MET 60 Ca 0.35 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 2eed s MET 60 Cb -0.11 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 2eed s MET 60 CO 0.22 -0.10 -0.06 0.15 -0.01 0.00 0.00 175.02 175.22 2eed s LYS 61 N 1.11 0.69 -0.99 2.03 3.01 -0.04 -4.98 119.74 120.58 2eed s LYS 61 Ca 0.00 -1.13 -0.09 0.00 -1.01 0.00 0.00 55.97 53.75 2eed s LYS 61 Cb -0.14 -0.13 0.25 0.00 -1.01 0.00 0.00 37.83 36.80 2eed s LYS 61 CO -0.05 -0.02 0.94 -1.58 0.51 0.00 0.00 175.35 175.16 2eed s HIS 62 N -3.00 4.05 0.60 3.18 5.65 -1.26 0.26 115.29 124.77 2eed s HIS 62 Ca 0.04 -2.58 0.28 0.00 0.25 0.00 0.00 55.06 53.05 2eed s HIS 62 Cb 0.01 -3.71 1.43 0.00 -1.18 0.00 0.00 32.58 29.13 2eed s HIS 62 CO -0.04 -0.92 1.83 -0.39 -0.65 0.00 0.00 174.74 174.57 2eed h VAL 63 N 4.08 0.30 0.00 0.89 -1.51 -1.88 -3.47 116.25 114.65 2eed h VAL 63 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.62 2eed h VAL 63 Cb 0.91 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 2eed h VAL 63 CO 0.91 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.86 2eed n GLY 64 N -1.51 1.59 2.88 5.19 0.00 -1.19 -4.99 105.19 107.17 2eed n GLY 64 Ca 0.09 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.73 2eed n GLY 64 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2eed n ASN 65 N 0.00 -5.75 -1.62 1.61 5.15 -1.26 -1.50 115.26 111.90 2eed n ASN 65 Ca 0.00 -0.25 -0.16 0.00 -0.60 0.00 0.00 54.58 53.56 2eed n ASN 65 Cb 0.00 -4.58 -0.03 0.00 -0.53 0.00 0.00 39.78 34.64 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2eed n GLN 66 N -3.72 -1.23 -4.85 1.20 1.13 -1.26 -4.78 117.38 103.87 2eed n GLN 66 Ca -0.11 0.90 -0.33 0.00 -1.94 0.00 0.00 57.00 55.52 2eed n GLN 66 Cb 0.61 -5.22 -0.13 0.00 0.11 0.00 0.00 30.24 25.61 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 -4.25 2.70 -0.15 -1.09 -0.21 -0.56 -0.86 119.66 115.23 2eed s GLN 67 Ca 0.00 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.70 2eed s GLN 67 Cb 0.00 -2.44 0.02 0.00 1.00 0.00 0.00 33.01 31.59 2eed s GLN 67 CO 0.00 0.54 -0.15 0.71 -2.12 0.00 0.00 175.29 174.27 2eed s TYR 68 N -0.52 2.25 -0.29 0.91 1.51 -1.05 -2.68 117.35 117.49 2eed s TYR 68 Ca 0.07 -1.26 -0.21 0.00 -1.01 0.00 0.00 57.07 54.66 2eed s TYR 68 Cb -0.12 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 2eed s TYR 68 CO 0.02 -0.67 0.66 1.21 -1.11 0.00 0.00 175.55 175.65 2eed s ASN 69 N 1.40 6.56 -0.18 2.29 3.04 0.14 -2.63 114.94 125.56 2eed s ASN 69 Ca 0.04 0.57 0.01 0.00 0.04 0.00 0.00 52.86 53.52 2eed s ASN 69 Cb -0.13 -2.35 0.04 0.00 -1.54 0.00 0.00 41.25 37.27 2eed s ASN 69 CO -0.10 -0.47 -0.12 -0.69 -3.04 0.00 0.00 177.10 172.68 2eed s VAL 70 N 2.64 1.66 -0.02 -5.21 1.01 -1.07 -0.86 120.40 118.55 2eed s VAL 70 Ca 0.27 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2eed s VAL 70 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2eed s VAL 70 CO 0.11 0.27 -0.19 -0.89 0.00 0.00 0.00 175.10 174.39 2eed s THR 71 N 1.41 1.52 0.33 3.92 2.01 -0.39 -2.15 115.64 122.28 2eed s THR 71 Ca 0.01 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2eed s THR 71 Cb -0.15 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2eed s THR 71 CO -0.09 0.43 0.15 -0.72 -0.69 0.00 0.00 174.62 173.70 2eed s TYR 72 N -0.44 1.67 0.01 4.92 -0.85 -0.80 -0.87 117.35 120.97 2eed s TYR 72 Ca 0.07 -1.34 0.00 0.00 -0.52 0.00 0.00 57.07 55.29 2eed s TYR 72 Cb -0.07 -0.94 -0.01 0.00 0.38 0.00 0.00 41.96 41.32 2eed s TYR 72 CO -0.01 -0.46 -0.02 0.08 -1.52 0.00 0.00 175.55 173.62 2eed s VAL 73 N -3.50 0.14 -0.06 -3.49 1.01 -1.25 -2.90 120.40 110.35 2eed s VAL 73 Ca 0.34 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2eed s VAL 73 Cb 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.27 2eed s VAL 73 CO 0.17 -0.12 -0.06 0.68 0.00 0.00 0.00 175.10 175.77 2eed s VAL 74 N -0.46 0.72 -0.35 2.92 -7.23 -1.26 -2.58 120.40 112.15 2eed s VAL 74 Ca -0.04 -0.21 0.10 0.00 -1.81 0.00 0.00 61.98 60.02 2eed s VAL 74 Cb -0.03 -0.73 0.69 0.00 0.56 0.00 0.00 36.38 36.87 2eed s VAL 74 CO -0.00 0.27 1.62 0.29 -0.31 0.00 0.00 175.10 176.97 2eed n LYS 75 N 4.15 3.94 -3.96 4.82 4.01 -1.26 -0.75 118.16 129.11 2eed n LYS 75 Ca -0.22 -2.70 -0.09 0.00 -0.51 0.00 0.00 58.31 54.79 2eed n LYS 75 Cb 0.51 -2.14 -0.04 0.00 -0.51 0.00 0.00 35.03 32.84 2eed n LYS 75 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2eed s GLU 76 N -2.59 1.61 0.44 1.97 2.12 -1.26 -4.92 118.70 116.07 2eed s GLU 76 Ca 0.48 -1.19 0.05 0.00 0.36 0.00 0.00 54.97 54.66 2eed s GLU 76 Cb 0.37 0.51 -0.05 0.00 0.26 0.00 0.00 34.13 35.21 2eed s GLU 76 CO 0.13 -0.69 0.02 -0.98 -0.54 0.00 0.00 175.26 173.20 2eed s ARG 77 N -3.99 2.01 0.00 4.30 3.03 -1.26 -4.49 118.95 118.55 2eed s ARG 77 Ca 0.20 -2.19 0.00 0.00 2.03 0.00 0.00 55.73 55.76 2eed s ARG 77 Cb -0.02 -1.48 0.00 0.00 -1.03 0.00 0.00 34.95 32.42 2eed s ARG 77 CO 0.09 -0.19 0.00 0.41 -1.13 0.00 0.00 175.30 174.48 2eed n GLY 78 N -1.04 0.31 3.32 3.88 0.00 -1.23 -5.00 105.19 105.43 2eed n GLY 78 Ca -0.10 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 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 4.46 0.22 1.61 1.47 -1.26 -2.50 116.67 116.67 2eed s ASP 79 Ca 0.00 -0.43 0.08 0.00 1.18 0.00 0.00 52.55 53.38 2eed s ASP 79 Cb 0.00 -1.77 -0.04 0.00 -0.34 0.00 0.00 42.92 40.77 2eed s ASP 79 CO 0.00 -0.04 0.02 -0.31 0.68 0.00 0.00 175.17 175.52 2eed s TYR 80 N 1.49 2.82 -0.27 2.11 1.51 -0.83 -4.70 117.35 119.48 2eed s TYR 80 Ca 0.05 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 2eed s TYR 80 Cb -0.15 -1.31 0.08 0.00 -0.11 0.00 0.00 41.96 40.47 2eed s TYR 80 CO -0.02 0.56 -0.01 0.08 -1.11 0.00 0.00 175.55 175.05 2eed s VAL 81 N -2.01 1.58 -0.12 0.71 1.01 -1.26 -2.82 120.40 117.49 2eed s VAL 81 Ca 0.30 -1.50 -0.20 0.00 0.00 0.00 0.00 61.98 60.58 2eed s VAL 81 Cb -0.08 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2eed s VAL 81 CO 0.20 -0.30 0.58 -0.22 0.00 0.00 0.00 175.10 175.35 2eed s LEU 82 N 1.32 4.26 -0.21 3.92 2.96 -1.15 -3.30 118.68 126.47 2eed s LEU 82 Ca 0.00 0.93 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 2eed s LEU 82 Cb -0.19 -2.86 0.04 0.00 0.50 0.00 0.00 46.19 43.69 2eed s LEU 82 CO -0.10 -0.10 -0.14 0.00 -1.32 0.00 0.00 176.35 174.69 2eed s ALA 83 N 0.99 2.28 -0.18 5.97 0.00 -1.26 -1.71 121.76 127.86 2eed s ALA 83 Ca 0.30 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2eed s ALA 83 Cb -0.16 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2eed s ALA 83 CO 0.13 -0.75 -0.18 0.08 0.00 0.00 0.00 175.76 175.03 2eed s VAL 84 N 1.27 1.92 0.19 0.00 1.01 -1.26 -0.86 120.40 122.67 2eed s VAL 84 Ca -0.01 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2eed s VAL 84 Cb -0.16 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2eed s VAL 84 CO -0.09 0.48 0.18 -0.54 0.00 0.00 0.00 175.10 175.13 2eed s LYS 85 N 1.34 2.99 -0.37 2.72 1.02 -1.14 -2.50 119.74 123.80 2eed s LYS 85 Ca 0.04 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.15 2eed s LYS 85 Cb -0.13 -2.67 0.13 0.00 -0.52 0.00 0.00 37.83 34.63 2eed s LYS 85 CO -0.12 0.46 0.20 -0.46 -0.92 0.00 0.00 175.35 174.51 2eed s TRP 86 N -1.86 1.30 -0.75 3.18 -0.11 -0.18 -3.32 118.94 117.19 2eed s TRP 86 Ca 0.32 -1.87 -0.00 0.00 1.22 0.00 0.00 56.10 55.77 2eed s TRP 86 Cb -0.10 -1.39 0.00 0.00 -1.50 0.00 0.00 33.47 30.48 2eed s TRP 86 CO 0.25 -0.82 0.68 0.41 -4.62 0.00 0.00 176.95 172.84 2eed n GLY 87 N 4.10 -1.25 3.60 5.86 0.00 -1.19 -3.08 105.19 113.23 2eed n GLY 87 Ca 0.07 0.51 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.94 -7.79 -3.98 1.61 1.02 -1.26 -4.97 120.64 103.32 2eed n GLU 88 Ca -0.07 0.82 -0.13 0.00 -0.02 0.00 0.00 57.16 57.76 2eed n GLU 88 Cb 0.54 -5.86 -0.01 0.00 -0.02 0.00 0.00 31.44 26.09 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 -6.32 2.09 -0.15 3.49 2.02 -1.18 -5.13 118.70 113.52 2eed s GLU 89 Ca 0.59 -1.68 -0.01 0.00 0.02 0.00 0.00 54.97 53.89 2eed s GLU 89 Cb -0.26 0.52 0.04 0.00 0.10 0.00 0.00 34.13 34.53 2eed s GLU 89 CO 0.73 -0.92 -0.03 -1.01 0.02 0.00 0.00 175.26 174.05 2eed s HIS 90 N -2.64 1.40 0.55 1.61 3.76 -1.26 -1.01 115.29 117.69 2eed s HIS 90 Ca 0.25 -0.88 -0.18 0.00 -0.15 0.00 0.00 55.06 54.09 2eed s HIS 90 Cb -0.02 -1.17 -0.10 0.00 1.11 0.00 0.00 32.58 32.40 2eed s HIS 90 CO 0.18 -0.57 0.47 0.44 -0.85 0.00 0.00 174.74 174.41 2eed n ILE 91 N 4.95 2.00 -2.04 0.60 -5.35 -1.04 -4.75 119.36 113.74 2eed n ILE 91 Ca -0.11 -0.50 -0.38 0.00 -0.27 0.00 0.00 62.75 61.50 2eed n ILE 91 Cb 0.48 -0.61 -0.03 0.00 -1.74 0.00 0.00 39.64 37.74 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 -1.93 2.62 0.00 6.28 0.04 -1.26 -2.78 135.00 137.97 2eed s PRO 92 Ca 0.67 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2eed s PRO 92 Cb -0.47 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2eed s PRO 92 CO 0.56 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 175.24 2eed n GLY 93 N 5.76 0.57 3.93 0.56 0.00 -1.26 -5.03 105.19 109.72 2eed n GLY 93 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 6.37 0.26 1.61 0.15 -1.12 -3.43 113.70 117.54 2eed s SER 94 Ca 0.00 0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.65 2eed s SER 94 Cb 0.00 -1.96 -0.09 0.00 -1.71 0.00 0.00 66.02 62.25 2eed s SER 94 CO 0.00 0.08 1.26 -2.16 1.20 0.00 0.00 173.24 173.61 2eed s PRO 95 N -2.94 4.43 0.45 5.44 0.04 -1.26 -4.96 135.00 136.21 2eed s PRO 95 Ca 0.36 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.30 2eed s PRO 95 Cb -0.12 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 2eed s PRO 95 CO 0.28 -0.12 0.89 -0.06 0.04 0.00 0.00 177.00 178.03 2eed s PHE 96 N -0.60 3.43 -0.57 0.56 0.40 -0.69 -4.90 117.98 115.60 2eed s PHE 96 Ca 0.51 1.33 -0.11 0.00 -0.60 0.00 0.00 56.93 58.07 2eed s PHE 96 Cb -0.36 -2.67 0.15 0.00 0.51 0.00 0.00 43.02 40.64 2eed s PHE 96 CO 0.44 -0.22 0.47 -1.58 0.70 0.00 0.00 175.22 175.03 2eed s HIS 97 N -2.44 3.45 -0.37 0.36 5.65 -1.26 -2.95 115.29 117.73 2eed s HIS 97 Ca 0.56 -1.87 -0.20 0.00 0.25 0.00 0.00 55.06 53.80 2eed s HIS 97 Cb -0.10 -3.59 0.01 0.00 -1.18 0.00 0.00 32.58 27.72 2eed s HIS 97 CO 0.28 -0.98 0.64 0.08 -0.65 0.00 0.00 174.74 174.11 2eed s VAL 98 N 1.02 4.88 -0.23 0.89 1.01 -1.13 -4.68 120.40 122.16 2eed s VAL 98 Ca 0.09 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 2eed s VAL 98 Cb -0.23 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2eed s VAL 98 CO -0.02 -0.36 0.12 -0.89 0.00 0.00 0.00 175.10 173.96 2eed s THR 99 N 2.73 5.06 -0.14 3.92 2.01 -1.26 -1.96 115.64 125.99 2eed s THR 99 Ca 0.24 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 2eed s THR 99 Cb -0.14 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2eed s THR 99 CO 0.16 0.37 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 2eed s VAL 100 N 0.98 3.47 -2.00 3.82 1.01 -1.04 -2.82 120.40 123.81 2eed s VAL 100 Ca 0.06 -0.51 0.16 0.00 0.00 0.00 0.00 61.98 61.69 2eed s VAL 100 Cb -0.14 -2.49 0.44 0.00 0.00 0.00 0.00 36.38 34.20 2eed s VAL 100 CO 0.03 0.51 1.34 -0.81 0.00 0.00 0.00 175.10 176.18